diff --git a/.github/workflows/unittest.yaml b/.github/workflows/unittest.yaml
new file mode 100644
index 0000000..42c7775
--- /dev/null
+++ b/.github/workflows/unittest.yaml
@@ -0,0 +1,38 @@
+name: Run Unittests
+
+on:
+  pull_request:
+    branches:
+      - main
+  push:
+    branches:
+      - main
+
+jobs:
+  test:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout repository
+        uses: actions/checkout@v3
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: '3.10'
+
+      - name: Install Poetry
+        run: |
+          curl -sSL https://install.python-poetry.org | python3 -
+          export PATH="$HOME/.local/bin:$PATH"
+          poetry --version
+
+      - name: Install dependencies
+        run: |
+          export PATH="$HOME/.local/bin:$PATH"
+          poetry install
+
+      - name: Run tests with pytest
+        run: |
+          export PATH="$HOME/.local/bin:$PATH"
+          poetry run pytest tests
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index 3911443..e084f3e 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -9,20 +9,20 @@ repos:
       args: [--allow-multiple-documents]
       exclude: "conda.recipe/meta.yaml"
     - id: end-of-file-fixer
-      exclude: "nucDataLibs/.*"
+      exclude: "tests/data/.*"
     - id: trailing-whitespace
-      exclude: "nucDataLibs/.*"
+      exclude: "tests/data/.*"
 - repo: https://github.com/astral-sh/ruff-pre-commit
   rev: v0.7.3
   hooks:
     - id: ruff
       args: [--fix, --exit-non-zero-on-fix]
-      exclude: "nucDataLibs/.*"
+      exclude: "(tests/data/.*|legacy/.*)"
     - id: ruff-format
-      exclude: "nucDataLibs/.*"
+      exclude: "(tests/data/.*|legacy/.*)"
 - repo: https://github.com/codespell-project/codespell
   rev: v2.3.0
   hooks:
     - id: codespell
-      exclude: "(nucDataLibs/.*|.*\\.ipynb)|poetry.lock"
+      exclude: "(tests/data/.*|.*\\.ipynb)|poetry.lock"
       args: ["--ignore-words-list=DELTE"]
diff --git a/docs/development/architecture_v1.md b/docs/development/architecture_v1.md
new file mode 100644
index 0000000..c524c35
--- /dev/null
+++ b/docs/development/architecture_v1.md
@@ -0,0 +1,190 @@
+# PLEIADES Architecture Documentation
+
+This document is the design document for PLEIADES(v1), followed by suggestions on refactoring and enhancements.
+
+## Overview
+
+PLEIADES is a computational platform designed for neutron resonance analysis, with a focus on SAMMY integration and workflow management. The architecture follows a layered design with clear separation between configuration, execution, and analysis components.
+
+## System Architecture
+
+The system is divided into four main layers:
+
+1. **Core Layer**: Core configuration management and nuclear data access
+1. **Processing Layer**: Workflow orchestration and input generation
+1. **Execution Layer**: SAMMY execution and parameter management
+1. **Analysis Layer**: Results parsing and visualization
+
+```mermaid
+graph TD
+    User[User Script] --> |"Configure"| SammyUtils
+    User --> |"Visualize"| SammyPlotter
+
+    subgraph Core["Core Layer"]
+        SammyStructures["sammyStructures.py<br/>Configuration Management"]
+        NucData["nucData.py<br/>Nuclear Data Access"]
+    end
+
+    subgraph Processing["Processing Layer"]
+        SammyUtils["sammyUtils.py<br/>Orchestration"] --> SammyStructures
+        SammyUtils --> NucData
+        SammyInput["sammyInput.py<br/>Input Generation"] --> NucData
+        SammyParFile["sammyParFile.py<br/>Parameter Management"] --> NucData
+    end
+
+    subgraph Execution["Execution Layer"]
+        SammyRunner["sammyRunner.py<br/>SAMMY Integration"]
+        SammyUtils --> SammyRunner
+        SammyRunner --> SammyInput
+        SammyRunner --> SammyParFile
+    end
+
+    subgraph Analysis["Analysis Layer"]
+        SammyOutput["sammyOutput.py<br/>Results Parser"]
+        SammyPlotter["sammyPlotter.py<br/>Visualization"]
+        SammyOutput --> SammyPlotter
+        SammyRunner --> SammyOutput
+    end
+```
+
+## Module Details
+
+| Module | Key Components | Complexity | Summary |
+|--------|---------------|------------|----------|
+| sammyStructures.py | `SammyFitConfig`, `sammyRunConfig` | High | Core configuration management system handling parameter storage, validation, and directory structures |
+| nucData.py | `get_mass_from_ame()`, `extract_isotope_info()`, `get_info()` | Medium | Nuclear data access layer providing isotope information and atomic mass calculations |
+| sammyUtils.py | `create_parFile_from_endf()`, `configure_sammy_run()`, `run_sammy()` | High | High-level orchestrator managing workflow and coordinating between modules |
+| sammyRunner.py | `run_sammy_fit()`, `check_sammy_environment()` | Medium | SAMMY execution manager handling both local and Docker environments |
+| sammyInput.py | `InputFile` class | Medium | SAMMY input file generator with format-specific handlers |
+| sammyParFile.py | `ParFile`, `Update` classes | High | Parameter file manager supporting complex operations on SAMMY par files |
+| sammyOutput.py | `lptResults` class | Medium | Output parser extracting fit results from SAMMY output files |
+| sammyPlotter.py | `process_and_plot_lst_file()` | Low | Visualization tools for SAMMY results |
+| simData.py | `create_transmission()`, `Isotope` class | Low | Simulation support for transmission data |
+
+## Example Workflow
+
+The following example demonstrates a typical workflow using PLEIADES for SAMMY analysis:
+
+```python
+# 1. Configuration Setup
+from pleiades import sammyUtils, sammyPlotter
+config = sammyUtils.SammyFitConfig("uranium.ini")
+
+# 2. Generate Parameter Files
+sammyUtils.create_parFile_from_endf(config, verbose_level=1)
+
+# 3. Configure SAMMY Run
+sammy_run = sammyUtils.configure_sammy_run(config, verbose_level=1)
+
+# 4. Execute SAMMY Fit
+sammyUtils.run_sammy(config, verbose_level=1)
+
+# 5. Analyze Results
+sammyPlotter.process_and_plot_lst_file(
+    f"{config.params['directories']['sammy_fit_dir']}/results/SAMMY.LST",
+    residual=True,
+    quantity="transmission"
+)
+
+# Optional: Iterative Refinement
+# Update isotopes/parameters and rerun
+config.params["isotopes"]["names"].append("Ta-181")
+config.params["isotopes"]["abundances"].append(0.01)
+sammy_run = sammyUtils.configure_sammy_run(config, verbose_level=1)
+```
+
+Key Workflow Steps:
+
+1. Initialize configuration from `INI` file
+2. Generate parameter files from `ENDF` data
+3. Configure SAMMY run environment
+4. Execute SAMMY fit
+5. Analyze and visualize results
+6. [Optional] Iterate with parameter refinements
+
+The system supports both simple workflows and complex scenarios involving multiple isotopes and iterative refinement of fits.
+
+## Opportunities for Enhancement
+
+### Core Considerations
+
+1. **SAMMY Integration Requirements**
+    - The existing codebase effectively handles SAMMY's fixed-width format requirements
+    - This core functionality must be preserved during any refactoring
+    - Format definitions and card structures are essential and cannot be simplified
+
+1. **Class Organization**
+    - The `ParFile` and `InputFile` classes successfully manage complex SAMMY requirements
+    - Could benefit from internal reorganization while maintaining external interfaces
+    - Consider using composition for different card types while keeping format compliance
+
+    ```python
+    # Current approach works but could be reorganized internally
+    class ParFile:
+        def __init__(self):
+            self._SPIN_GROUP_FORMAT = {...}  # Essential format definition
+            self._CHANNEL_RADII_FORMAT = {...}
+    ```
+
+### Implementation Opportunities
+
+1. **Type System Enhancement**
+    - Adding type hints could improve code maintainability
+    - Would help new developers understand data structures better
+
+    ```python
+    # Potential enhancement while maintaining functionality
+    def parse_spin_group(self, data: SpinGroupData) -> SpinGroupCard:
+        """Parse spin group data into SAMMY-compliant format"""
+    ```
+
+1. **File Handling Consistency**
+    - Consider standardizing on `pathlib` for path operations
+    - Maintain robust file handling while improving consistency
+
+    ```python
+    # Standardize on pathlib while keeping functionality
+    symlink_path = pathlib.Path(fit_dir) / "res_endf8.endf"
+    ```
+
+1. **Input Validation**
+    - Could consolidate validation while maintaining format requirements
+    - Early validation would help users identify issues sooner
+
+### Testing and Documentation
+
+1. **Test Coverage**
+    - Add unit tests to ensure format compliance
+    - Create test fixtures for common SAMMY input scenarios
+    - Validate output formats match SAMMY requirements
+
+1. **Documentation Enhancement**
+    - Expand docstrings for complex format handling
+    - Add examples of correct SAMMY input generation
+    - Document format requirements clearly
+
+### Performance Considerations
+
+1. **Resource Management**
+    - Review file handling patterns
+    - Consider streaming for large files where possible
+
+    ```python
+    # Potential enhancement for large files
+    def process_large_file(self, filename: Path) -> Iterator[str]:
+        with filename.open() as f:
+            for line in f:
+                yield self.process_line(line)
+    ```
+
+### Future Development Opportunities
+
+1. **Module Organization**
+    - Consider grouping related SAMMY format handlers
+    - Maintain format compliance while improving code organization
+
+1. **Error Handling**
+    - Enhance error messages for format-related issues
+    - Help users understand SAMMY's requirements better
+
+The original implementation effectively manages SAMMY's complex requirements. These suggestions aim to build upon that foundation while maintaining full compatibility with SAMMY's fixed-width format requirements.
diff --git a/docs/development/architecture_v2.md b/docs/development/architecture_v2.md
new file mode 100644
index 0000000..b04a85c
--- /dev/null
+++ b/docs/development/architecture_v2.md
@@ -0,0 +1,238 @@
+# PLEIADES Refactoring Design Document
+
+## Background
+
+PLEIADES is a library that help users prepare input files to use with SAMMY, a nuclear simulation software.
+The current implementation of PLEIADES is functional, but facing the following challenges:
+
+1. Tight Coupling: Core components are tightly coupled, making it difficult to modify one component without affecting others.
+1. Complex File Handling: Parameter file management spreads across multiple modules with duplicated logic.
+1. Error Handling: Inconsistent error handling patterns across modules.
+1. Type Safety: Lack of type hints makes code harder to maintain and more prone to runtime errors.
+1. Testing Complexity: Tightly coupled components make unit testing difficult
+
+## Refactoring Goals
+
+1. Modular Architecture
+
+    - Clear separation of concerns between components
+    - Decoupled interfaces between modules
+    - Composition-based design for parameter file handling
+
+1. Enhanced Backend Support
+
+    - Abstract SAMMY execution interface
+    - Support for local, Docker, and NOVA backends
+    - Extensible design for future backend additions
+
+1. Robust Data Management
+
+    - Centralized nuclear data access
+    - Type-safe data models (via Pydantic)
+    - Efficient caching mechanisms
+
+1. Improved Error Handling
+
+    - vConsistent error handling patterns
+    - Clear error hierarchies
+    - Descriptive error messages
+
+1. Type Safety and Validation
+
+    - Comprehensive type hints
+    - Runtime validation using Pydantic models
+    - Format validation for SAMMY inputs
+
+1. Testability
+
+    - Unit testable components
+    - Clear interfaces for mocking
+    - Comprehensive test coverage
+
+## System Architecture
+
+**Proposed** Architecture (left) vs. **Original** Architecture (right):
+
+```mermaid
+graph TD
+    %% Define the nodes and connections
+    subgraph "Original Architecture"
+        User1[User Script] --> |"Configure"| SammyUtils1
+        User1 --> |"Visualize"| SammyPlotter1
+
+        subgraph "Core"
+            SammyStructures1["sammyStructures.py<br/>Configuration"]
+            NucData1["nucData.py<br/>Nuclear Data"]
+        end
+
+        subgraph "Processing"
+            SammyUtils1["sammyUtils.py"] --> SammyStructures1
+            SammyUtils1 --> NucData1
+            SammyInput1["sammyInput.py"] --> NucData1
+            SammyParFile1["sammyParFile.py"] --> NucData1
+        end
+
+        subgraph "Execution"
+            SammyRunner1["sammyRunner.py"]
+            SammyUtils1 --> SammyRunner1
+            SammyRunner1 --> SammyInput1
+            SammyRunner1 --> SammyParFile1
+        end
+
+        subgraph "Analysis"
+            SammyOutput1["sammyOutput.py"]
+            SammyPlotter1["sammyPlotter.py"]
+            SammyRunner1 --> SammyOutput1
+            SammyOutput1 --> SammyPlotter1
+        end
+    end
+
+    subgraph "Refactored Architecture"
+        User2[User Script] --> |"Configure"| Core2
+        User2 --> |"Execute"| SammyManager2
+
+        subgraph "Core Layer"
+            Core2["Core Manager"] --> DataManager2
+            Core2 --> Models2
+            DataManager2["Nuclear Data Manager"]
+            Models2["Domain Models"]
+        end
+
+        subgraph "SAMMY Layer"
+            SammyManager2["SAMMY Manager"] --> Factory2
+            Factory2["Backend Factory"] --> Backends2
+            Backends2["Backend Interface"]
+            SammyManager2 --> ParFile2
+            ParFile2["Parameter File Manager"] --> Cards2
+            Cards2["Card Components"]
+            SammyManager2 --> InpFile2["Input File Manager"]
+            InpFile2 --> Cards2["Card Components"]
+            InpFile2 --> Commands2["Command Components"]
+            SammyManager2 --> DatFile2["Data File Manager"]
+        end
+
+        subgraph "Backend Implementations"
+            Backends2 --> Local2["Local Runner"]
+            Backends2 --> Docker2["Docker Runner"]
+            Backends2 --> Nova2["NOVA Runner"]
+        end
+
+        subgraph "Output Layer"
+            SammyManager2 --> OutputManager2
+            OutputManager2["Output Manager"]
+            OutputManager2 --> Analysis2["Analysis"]
+            OutputManager2 --> Plotting2["Plotting"]
+        end
+    end
+
+    %% Add styling for "Original Architecture"
+    classDef originalStyle fill:#F3E5AB,stroke:#6B4226,stroke-width:2px;
+    class User1,SammyUtils1,SammyPlotter1,SammyStructures1,NucData1,SammyInput1,SammyParFile1,SammyRunner1,SammyOutput1 originalStyle;
+
+    %% Add styling for "Refactored Architecture"
+    classDef refactoredStyle fill:#D5F3FE,stroke:#1E88E5,stroke-width:2px;
+    class User2,Core2,SammyManager2,DataManager2,Models2,Factory2,Backends2,ParFile2,InpFile2,DatFile2,Cards2,Commands2,Local2,Docker2,Nova2,OutputManager2,Analysis2,Plotting2 refactoredStyle;
+```
+
+Key architectural decisions:
+
+1. Core Layer Consolidation
+
+    - Centralized data management through DataManager replaces scattered nuclear data access
+    - Type-safe domain models using `Pydantic` for consistency and validation
+    - Clear separation between data access and business logic
+    - Improved caching and error handling for nuclear data operations
+
+1. SAMMY Layer Modularization
+
+    - Complete separation of three key file types:
+        - Parameter file (.par) - resonance parameters and physical constants
+        - Input file (.inp) - execution control and commands
+        - Data file (.dat) - experimental data
+    - Each file type managed by dedicated components:
+        - Parameter File Manager with modular card components
+        - Input File Manager with commands and card components
+        - Data File Manager for transmission/cross-section data
+    - Backend abstraction using Factory pattern for flexible execution
+
+1. File Generation Components
+
+    - Card Components: Reusable building blocks for both parameter and input files
+        - Strong typing for each card type
+        - Validation rules enforced through models
+        - Fixed-width format handling utilities
+    - Command Components: Specialized for input file generation
+        - Consistent command formatting
+        - Validation of command combinations
+        - Default configurations
+
+1. Backend System Enhancement
+
+    - Abstract Backend Interface allowing multiple implementations
+    - Three supported execution methods:
+        - Local SAMMY installation
+        - Docker containerization
+        - NOVA web service integration
+    - Runtime backend selection and validation
+    - Environment-aware configuration
+    - Consistent error handling across backends
+
+1. Output Processing Improvements
+
+    - Complete decoupling of execution and analysis
+    - Unified output collection interface
+    - Flexible analysis pipeline
+    - Modular visualization components
+    - Format conversion utilities
+
+1. Cross-Cutting Improvements
+
+    - Comprehensive error hierarchies
+    - Consistent logging patterns
+    - Configuration validation
+    - Type safety throughout
+    - Unit test support
+
+## Refactoring Guidelines
+
+Core Development Principles
+
+1. Type Safety
+   - Implement comprehensive type hints for all functions and classes
+   - Enforce type checking during development and CI
+
+1. Data Models
+   - Use `Pydantic` (v2) for data container classes and validation
+   - Define clear data structures for nuclear physics quantities
+   - Validate data at system boundaries
+
+1. Error Handling
+   - Define module-specific exception hierarchies
+   - Provide physics-relevant error messages
+   - Handle errors at appropriate abstraction levels
+
+1. Module Design
+   - Each module serves single, well-defined purpose
+   - Clear interfaces between components
+   - Minimize inter-module dependencies
+   - Prefer composition over inheritance
+   - Provide example usage in module docstrings or the `__main__` block.
+
+1. Testing
+   - Unit tests required for all new modules
+   - Test physics edge cases and error conditions
+   - Mock external dependencies (SAMMY, filesystem)
+   - Maintain test coverage targets
+
+### Implementation Process
+
+1. Review original module functionality
+1. Design new module interface and data structures
+1. Implement core features with type safety and validation
+1. Add comprehensive unit tests
+1. Migrate dependent code gradually
+1. Document new interfaces and behaviors
+
+### Reference Implementations
+
+When in doubt, refer to the completed modules for guidance.
diff --git a/examples/configFiles/nat_europium.ini b/examples/configFiles/nat_europium.ini
deleted file mode 100644
index 494089c..0000000
--- a/examples/configFiles/nat_europium.ini
+++ /dev/null
@@ -1,81 +0,0 @@
-[main]
-run_with_endf = false
-fit_energy_min = 0.1
-fit_energy_max = 29.0
-flight_path_length = 14.96
-fudge_factor = 1.0
-
-[directories]
-working_dir = ""
-user_defined = false
-image_dir = "images"
-data_dir = "../data"
-archive_dir = ".archive"
-sammy_fit_dir = "natEu"
-endf_dir = "endf"
-fir_results = "fit_results"
-
-[filenames]
-data_file_name = 'natEu.twenty'
-input_file_name = 'input.inp'
-params_file_name = 'params.par'
-
-[isotopes]
-names = Eu-151,Eu-153
-abundances = 0.7,0.99
-vary_abundances = true,true
-
-[broadening]
-thickness = 9.5e-4
-vary_thickness = true
-temperature = 2966
-vary_temperature = false
-flight_path_spread = 0.001
-vary_flight_path_spread = false
-deltag_fwhm = 0.001
-vary_deltag_fwhm = false
-deltae_us = 0.001006
-vary_deltae_us = false
-
-[normalization]
-normalization = 1.0
-vary_normalization = false
-constant_bg = 0.0001
-vary_constant_bg = false
-one_over_v_bg = 0.0001
-vary_one_over_v_bg = false
-sqrt_energy_bg = 0.0001
-vary_sqrt_energy_bg = false
-exponential_bg = 0.0
-vary_exponential_bg = false
-exp_decay_bg = 0.0
-vary_exp_decay_bg = false
-
-[tzero]
-t0 = 1.1875
-vary_t0 = false
-L0 = 0.988967
-vary_L0 = false
-
-[delta_L]
-delta_L1 = -0.004762
-delta_L1_err =
-vary_delta_L1 = false
-delta_L0 = 0.092731
-delta_L0_err =
-vary_delta_L0 = false
-
-[delta_E]
-DE = 0.20044
-DE_err =
-vary_DE = false
-D0 = 13.618
-D0_err =
-vary_D0 = false
-DlnE = -5.0151
-DlnE_err =
-vary_DlnE = false
-
-[resonances]
-resonance_energy_min = 0.1
-resonance_energy_max = 100.0
diff --git a/examples/configFiles/simTransmissionConfig.ini b/examples/configFiles/simTransmissionConfig.ini
deleted file mode 100644
index 17085ff..0000000
--- a/examples/configFiles/simTransmissionConfig.ini
+++ /dev/null
@@ -1,29 +0,0 @@
-[Isotope1]
-name = U-238
-thickness = 0.01
-thickness_unit = cm
-abundance = 1
-xs_file_location = /PATH/TO/PLEIADES/nucDataLibs/xSections/u-n.tot
-density = 19.1
-density_unit = g/cm3
-ignore = false
-
-[Isotope2]
-name = U-235
-thickness = 0.02
-thickness_unit = cm
-abundance = 1
-xs_file_location = /PATH/TO/PLEIADES/nucDataLibs/xSections/u-n.tot
-density = 19.1
-density_unit = g/cm3
-ignore = false
-
-[Isotope3]
-name = Ta-181
-thickness = 0.02
-thickness_unit = cm
-abundance = 1
-xs_file_location = /PATH/TO/PLEIADES/nucDataLibs/xSections/ta-n.tot
-density = 16.65
-density_unit = g/cm3
-ignore = false
diff --git a/examples/configFiles/uranium.ini b/examples/configFiles/uranium.ini
deleted file mode 100644
index 12ad4c8..0000000
--- a/examples/configFiles/uranium.ini
+++ /dev/null
@@ -1,85 +0,0 @@
-[main]
-sammy_run_method = "docker"
-sammy_command = "sammy-docker"
-sammy_fit_name = "uranium-fit"
-run_endf_for_par = true
-use_endf_par_file = true
-fit_energy_min = 1
-fit_energy_max = 100.0
-flight_path_length = 14.96
-fudge_factor = 1.0
-
-[directories]
-working_dir = "./analysis"
-user_defined = false
-image_dir = "images"
-data_dir = "../data"
-archive_dir = ".archive"
-sammy_fit_dir = "u235-u238"
-endf_dir = "endf"
-fit_results_dir = "results"
-
-[filenames]
-data_file_name = 'u235-u238.twenty'
-input_file_name = 'input.inp'
-params_file_name = 'params.par'
-
-[isotopes]
-names = U-235,U-238
-abundances = 0.01,0.01
-vary_abundances = true,true
-
-[broadening]
-thickness = 1.0
-vary_thickness = true
-temperature = 2966
-vary_temperature = false
-flight_path_spread = 0.0
-vary_flight_path_spread = false
-deltag_fwhm = 0.0
-vary_deltag_fwhm = false
-deltae_us = 0.00
-vary_deltae_us = false
-
-[normalization]
-normalization = 1.0
-vary_normalization = false
-constant_bg = 0.00
-vary_constant_bg = false
-one_over_v_bg = 0.00
-vary_one_over_v_bg = false
-sqrt_energy_bg = 0.00
-vary_sqrt_energy_bg = false
-exponential_bg = 0.0
-vary_exponential_bg = false
-exp_decay_bg = 0.0
-vary_exp_decay_bg = false
-
-[tzero]
-t0 = 1.1875
-vary_t0 = false
-L0 = 0.988967
-vary_L0 = false
-
-[delta_L]
-delta_L1 = -0.004762
-delta_L1_err =
-vary_delta_L1 = false
-delta_L0 = 0.092731
-delta_L0_err =
-vary_delta_L0 = false
-
-[delta_E]
-DE = 0.20044
-DE_err =
-vary_DE = false
-D0 = 13.618
-D0_err =
-vary_D0 = false
-DlnE = -5.0151
-DlnE_err =
-vary_DlnE = false
-
-[resonances]
-resonance_energy_min = 0.1
-resonance_energy_max = 100.0
diff --git a/examples/data/natEu.twenty b/examples/data/natEu.twenty
deleted file mode 100644
index 7e9c3eb..0000000
--- a/examples/data/natEu.twenty
+++ /dev/null
@@ -1,2618 +0,0 @@
-        0.0100384000        0.0124021000        0.0016089100
-        0.0100873000        0.0092289900        0.0014453700
-        0.0101366000        0.0113757000        0.0015378700
-        0.0101862000        0.0115490000        0.0015481200
-        0.0102362000        0.0109497000        0.0014860100
-        0.0102865000        0.0125182000        0.0015527200
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diff --git a/examples/data/u235-u238.twenty b/examples/data/u235-u238.twenty
deleted file mode 100644
index b9cec7c..0000000
--- a/examples/data/u235-u238.twenty
+++ /dev/null
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-       97.1680336067        0.8762845299                0.05
-       97.1878375675        0.8852893143                0.05
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-        97.425485097        0.9565564557                0.05
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-        97.524504901        0.9615297101                0.05
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-       99.1088217644         0.073983849                0.05
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-       99.2276455291        0.0170015613                0.05
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-       99.2672534507        0.0123302612                0.05
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-       99.3860772154         0.012659836                0.05
-       99.4058811762        0.0146952424                0.05
-        99.425685137        0.0176291042                0.05
-       99.4454890978        0.0217279685                0.05
-       99.4652930586        0.0273771412                0.05
-       99.4850970194        0.0349806511                0.05
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-        99.524704941        0.0581665277                0.05
-       99.5445089018        0.0750787602                0.05
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-       99.5841168234        0.1216215644                0.05
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-       99.9207841568        0.7278092095                0.05
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-       99.9603920784        0.7599862284                0.05
-       99.9801960392        0.7732466944                0.05
-               100.0        0.7849330752                0.05
diff --git a/Notes/Pleiades.notes b/legacy/Notes/Pleiades.notes
similarity index 100%
rename from Notes/Pleiades.notes
rename to legacy/Notes/Pleiades.notes
diff --git a/Notes/SammyInputFile.notes b/legacy/Notes/SammyInputFile.notes
similarity index 100%
rename from Notes/SammyInputFile.notes
rename to legacy/Notes/SammyInputFile.notes
diff --git a/Notes/SammyOutputLstFile.notes b/legacy/Notes/SammyOutputLstFile.notes
similarity index 100%
rename from Notes/SammyOutputLstFile.notes
rename to legacy/Notes/SammyOutputLstFile.notes
diff --git a/Notes/SammyParameterFile.notes b/legacy/Notes/SammyParameterFile.notes
similarity index 100%
rename from Notes/SammyParameterFile.notes
rename to legacy/Notes/SammyParameterFile.notes
diff --git a/docs/Makefile b/legacy/docs/Makefile
similarity index 100%
rename from docs/Makefile
rename to legacy/docs/Makefile
diff --git a/docs/conf.py b/legacy/docs/conf.py
similarity index 100%
rename from docs/conf.py
rename to legacy/docs/conf.py
diff --git a/docs/examples.rst b/legacy/docs/examples.rst
similarity index 100%
rename from docs/examples.rst
rename to legacy/docs/examples.rst
diff --git a/docs/index.rst b/legacy/docs/index.rst
similarity index 100%
rename from docs/index.rst
rename to legacy/docs/index.rst
diff --git a/docs/installation.rst b/legacy/docs/installation.rst
similarity index 100%
rename from docs/installation.rst
rename to legacy/docs/installation.rst
diff --git a/docs/make.bat b/legacy/docs/make.bat
similarity index 100%
rename from docs/make.bat
rename to legacy/docs/make.bat
diff --git a/docs/modules.rst b/legacy/docs/modules.rst
similarity index 100%
rename from docs/modules.rst
rename to legacy/docs/modules.rst
diff --git a/docs/overview.rst b/legacy/docs/overview.rst
similarity index 100%
rename from docs/overview.rst
rename to legacy/docs/overview.rst
diff --git a/docs/requirements.txt b/legacy/docs/requirements.txt
similarity index 100%
rename from docs/requirements.txt
rename to legacy/docs/requirements.txt
diff --git a/docs/usage.rst b/legacy/docs/usage.rst
similarity index 100%
rename from docs/usage.rst
rename to legacy/docs/usage.rst
diff --git a/examples/Notebooks/natEu_fit_tutorial.ipynb b/legacy/examples/Notebooks/natEu_fit_tutorial.ipynb
similarity index 99%
rename from examples/Notebooks/natEu_fit_tutorial.ipynb
rename to legacy/examples/Notebooks/natEu_fit_tutorial.ipynb
index e35eca7..4a691cc 100644
--- a/examples/Notebooks/natEu_fit_tutorial.ipynb
+++ b/legacy/examples/Notebooks/natEu_fit_tutorial.ipynb
@@ -30,7 +30,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from pleiades import sammyUtils, sammyPlotter"
+    "from pleiades import sammyPlotter, sammyUtils"
    ]
   },
   {
diff --git a/examples/Notebooks/u_fit_tutorial.ipynb b/legacy/examples/Notebooks/u_fit_tutorial.ipynb
similarity index 93%
rename from examples/Notebooks/u_fit_tutorial.ipynb
rename to legacy/examples/Notebooks/u_fit_tutorial.ipynb
index b941c33..d095eee 100644
--- a/examples/Notebooks/u_fit_tutorial.ipynb
+++ b/legacy/examples/Notebooks/u_fit_tutorial.ipynb
@@ -28,7 +28,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "from pleiades import sammyUtils, sammyRunner, sammyOutput, sammyPlotter"
+    "from pleiades import sammyOutput, sammyPlotter, sammyRunner, sammyUtils"
    ]
   },
   {
@@ -72,7 +72,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "!ls -lah \n",
+    "!ls -lah\n",
     "!ls -lah analysis"
    ]
   },
@@ -238,9 +238,7 @@
    "source": [
     "# Plot the results\n",
     "results_lst = uranium.params[\"directories\"][\"sammy_fit_dir\"] / \"results/SAMMY.LST\"\n",
-    "sammyPlotter.process_and_plot_lst_file(\n",
-    "    results_lst, residual=True, quantity=\"transmission\"\n",
-    ")"
+    "sammyPlotter.process_and_plot_lst_file(results_lst, residual=True, quantity=\"transmission\")"
    ]
   },
   {
@@ -273,14 +271,10 @@
     "\n",
     "# Update the isotope abundances with the new results from the SAMMY fit\n",
     "for i, isotope in enumerate(uranium.params[\"isotopes\"][\"names\"]):\n",
-    "    uranium.params[\"isotopes\"][\"abundances\"][i] = float(\n",
-    "        uranium_fit._results[\"Iteration Results\"][-1][\"Nuclides\"][i][\"Abundance\"]\n",
-    "    )\n",
+    "    uranium.params[\"isotopes\"][\"abundances\"][i] = float(uranium_fit._results[\"Iteration Results\"][-1][\"Nuclides\"][i][\"Abundance\"])\n",
     "\n",
     "# Update the sample thickness with the new results from the SAMMY fit\n",
-    "uranium.params[\"broadening\"][\"thickness\"] = float(\n",
-    "    uranium_fit._results[\"Iteration Results\"][-1][\"Thickness\"]\n",
-    ")\n",
+    "uranium.params[\"broadening\"][\"thickness\"] = float(uranium_fit._results[\"Iteration Results\"][-1][\"Thickness\"])\n",
     "\n",
     "# check your work!\n",
     "print(f\"New Abundance: {uranium.params['isotopes']['abundances']}\")\n",
@@ -295,9 +289,7 @@
    "outputs": [],
    "source": [
     "# Create new fit directory inside the working directory with the added isotope and its initial abundance\n",
-    "uranium.params[\"directories\"][\"sammy_fit_dir\"] = (\n",
-    "    uranium.params[\"directories\"][\"working_dir\"] / \"u235-u238-ta181\"\n",
-    ")\n",
+    "uranium.params[\"directories\"][\"sammy_fit_dir\"] = uranium.params[\"directories\"][\"working_dir\"] / \"u235-u238-ta181\"\n",
     "\n",
     "# check your work!\n",
     "print(f\"New fit directory: {uranium.params['directories']['sammy_fit_dir']}\")\n",
@@ -429,9 +421,7 @@
    "outputs": [],
    "source": [
     "# Grab the results from the SAMMY fit and plot the fit\n",
-    "updated_results_lpt = (\n",
-    "    uranium.params[\"directories\"][\"sammy_fit_dir\"] / \"results/SAMMY.LPT\"\n",
-    ")\n",
+    "updated_results_lpt = uranium.params[\"directories\"][\"sammy_fit_dir\"] / \"results/SAMMY.LPT\"\n",
     "updated_uranium_fit = sammyOutput.lptResults(updated_results_lpt)\n",
     "\n",
     "updated_uranium_fit._print_iteration(-1)"
@@ -461,12 +451,8 @@
    "outputs": [],
    "source": [
     "# Plot the results\n",
-    "updated_results_lst = (\n",
-    "    uranium.params[\"directories\"][\"sammy_fit_dir\"] / \"results/SAMMY.LST\"\n",
-    ")\n",
-    "sammyPlotter.process_and_plot_lst_file(\n",
-    "    updated_results_lst, residual=True, quantity=\"transmission\"\n",
-    ")"
+    "updated_results_lst = uranium.params[\"directories\"][\"sammy_fit_dir\"] / \"results/SAMMY.LST\"\n",
+    "sammyPlotter.process_and_plot_lst_file(updated_results_lst, residual=True, quantity=\"transmission\")"
    ]
   },
   {
diff --git a/examples/scripts/makeCompoundFit.py b/legacy/examples/scripts/makeCompoundFit.py
similarity index 73%
rename from examples/scripts/makeCompoundFit.py
rename to legacy/examples/scripts/makeCompoundFit.py
index 93535b0..7078fee 100644
--- a/examples/scripts/makeCompoundFit.py
+++ b/legacy/examples/scripts/makeCompoundFit.py
@@ -1,4 +1,4 @@
-from pleiades import sammyUtils, sammyRunner, sammyOutput, sammyPlotter
+from pleiades import sammyOutput, sammyPlotter, sammyRunner, sammyUtils
 
 # Load the configuration file from the ini file in the parent directory
 uranium = sammyUtils.SammyFitConfig("../configFiles/uranium.ini")
@@ -17,9 +17,7 @@
 results_lpt = uranium.params["directories"]["sammy_fit_dir"] / "results/SAMMY.LPT"
 results_lst = uranium.params["directories"]["sammy_fit_dir"] / "results/SAMMY.LST"
 uranium_fit = sammyOutput.lptResults(results_lpt)
-sammyPlotter.process_and_plot_lst_file(
-    results_lst, residual=True, quantity="transmission"
-)
+sammyPlotter.process_and_plot_lst_file(results_lst, residual=True, quantity="transmission")
 
 # Print out the initial parameters for the isotopes (names and abundances)
 print(f"Isotopes: {uranium.params['isotopes']['names']}")
@@ -28,23 +26,17 @@
 
 # Update the isotope abundances with the new results from the SAMMY fit
 for i, isotope in enumerate(uranium.params["isotopes"]["names"]):
-    uranium.params["isotopes"]["abundances"][i] = float(
-        uranium_fit._results["Iteration Results"][-1]["Nuclides"][i]["Abundance"]
-    )
+    uranium.params["isotopes"]["abundances"][i] = float(uranium_fit._results["Iteration Results"][-1]["Nuclides"][i]["Abundance"])
 
 # Update the sample thickness with the new results from the SAMMY fit
-uranium.params["broadening"]["thickness"] = float(
-    uranium_fit._results["Iteration Results"][-1]["Thickness"]
-)
+uranium.params["broadening"]["thickness"] = float(uranium_fit._results["Iteration Results"][-1]["Thickness"])
 
 # check your work!
 print(f"New Abundance: {uranium.params['isotopes']['abundances']}")
 print(f"New Thickness: {uranium.params['broadening']['thickness']}")
 
 # Create new fit directory
-uranium.params["directories"]["sammy_fit_dir"] = (
-    uranium.params["directories"]["working_dir"] / "u235-u238-ta181"
-)
+uranium.params["directories"]["sammy_fit_dir"] = uranium.params["directories"]["working_dir"] / "u235-u238-ta181"
 
 # check your work!
 print(f"New fit directory: {uranium.params['directories']['sammy_fit_dir']}")
@@ -69,13 +61,7 @@
 sammyRunner.run_sammy_fit(sammy_run, verbose_level=1)
 
 # Grab the results from the SAMMY fit and plot the fit
-updated_results_lpt = (
-    uranium.params["directories"]["sammy_fit_dir"] / "results/SAMMY.LPT"
-)
-updated_results_lst = (
-    uranium.params["directories"]["sammy_fit_dir"] / "results/SAMMY.LST"
-)
+updated_results_lpt = uranium.params["directories"]["sammy_fit_dir"] / "results/SAMMY.LPT"
+updated_results_lst = uranium.params["directories"]["sammy_fit_dir"] / "results/SAMMY.LST"
 updated_uranium_fit = sammyOutput.lptResults(results_lpt)
-sammyPlotter.process_and_plot_lst_file(
-    updated_results_lst, residual=True, quantity="transmission"
-)
+sammyPlotter.process_and_plot_lst_file(updated_results_lst, residual=True, quantity="transmission")
diff --git a/examples/scripts/simTransmission-U.py b/legacy/examples/scripts/simTransmission-U.py
similarity index 87%
rename from examples/scripts/simTransmission-U.py
rename to legacy/examples/scripts/simTransmission-U.py
index 0c666c6..240cfe1 100644
--- a/examples/scripts/simTransmission-U.py
+++ b/legacy/examples/scripts/simTransmission-U.py
@@ -1,8 +1,10 @@
 import argparse
 import sys  # For parsing command line arguments
-import pleiades.simData as psd  # For simulating neutron transmission spectra
-import numpy as np  # For generating energy grids
+
 import matplotlib.pyplot as plt
+import numpy as np  # For generating energy grids
+
+import pleiades.simData as psd  # For simulating neutron transmission spectra
 
 
 def main(
@@ -66,21 +68,15 @@ def main(
 
 
 if __name__ == "__main__":
-    parser = argparse.ArgumentParser(
-        description="Process config file for isotopes and plot transmission."
-    )
+    parser = argparse.ArgumentParser(description="Process config file for isotopes and plot transmission.")
     parser.add_argument(
         "--isoConfig",
         type=str,
         default="config.ini",
         help="Path to the isotope config file",
     )
-    parser.add_argument(
-        "--energy_min", type=float, default=1, help="Minimum energy for the plot [eV]"
-    )
-    parser.add_argument(
-        "--energy_max", type=float, default=100, help="Maximum energy for the plot [eV]"
-    )
+    parser.add_argument("--energy_min", type=float, default=1, help="Minimum energy for the plot [eV]")
+    parser.add_argument("--energy_max", type=float, default=100, help="Maximum energy for the plot [eV]")
     parser.add_argument(
         "--energy_points",
         type=int,
diff --git a/src/pleiades/nucData.py b/legacy/pleiades_old/nucData.py
similarity index 96%
rename from src/pleiades/nucData.py
rename to legacy/pleiades_old/nucData.py
index 47533b8..0e017f7 100644
--- a/src/pleiades/nucData.py
+++ b/legacy/pleiades_old/nucData.py
@@ -26,9 +26,7 @@ def extract_isotope_info(filename: str, isotope: str) -> tuple:
                 symbol = data[3]  # Extract the element symbol
                 numOfNucleons = data[1]  # Extract the number of nucleons
 
-                if (
-                    isotope == f"{symbol}-{numOfNucleons}"
-                ):  # Check if the isotope matches
+                if isotope == f"{symbol}-{numOfNucleons}":  # Check if the isotope matches
                     spin = data[5]
                     abundance = data[7]
                     return spin, abundance
@@ -138,9 +136,7 @@ def get_mass_from_ame(isotopic_str: str = "U-238", verbose_level: int = 0) -> fl
         print(f"looking for isotope: {element}-{atomic_number}")
 
     # Use Python 3.9's new feature to open the file from data files
-    nucelar_masses_file = pkg_resources.files("pleiades").joinpath(
-        "../../nucDataLibs/isotopeInfo/mass.mas20"
-    )
+    nucelar_masses_file = pkg_resources.files("pleiades").joinpath("../../nucDataLibs/isotopeInfo/mass.mas20")
     with open(nucelar_masses_file, "r") as f:
         # Skip the first 36 lines of header info
         for _ in range(36):
@@ -182,9 +178,7 @@ def get_mat_number(isotopic_str: str = "U-238") -> int:
     element, atomic_number = get_info(isotopic_str)
 
     # open the file containing the endf summary table
-    nucelar_masses_file = pkg_resources.files("pleiades").joinpath(
-        "../../nucDataLibs/isotopeInfo/neutrons.list"
-    )
+    nucelar_masses_file = pkg_resources.files("pleiades").joinpath("../../nucDataLibs/isotopeInfo/neutrons.list")
     with open(nucelar_masses_file, "r") as fid:
         pattern = r"\b\s*(\d+)\s*-\s*([A-Za-z]+)\s*-\s*(\d+)([A-Za-z]*)\b"  # match the isotope name
         for line in fid:
diff --git a/src/pleiades/post_install.py b/legacy/pleiades_old/post_install.py
similarity index 86%
rename from src/pleiades/post_install.py
rename to legacy/pleiades_old/post_install.py
index cd201cc..bc0363e 100644
--- a/src/pleiades/post_install.py
+++ b/legacy/pleiades_old/post_install.py
@@ -24,15 +24,10 @@ def check_sammy_installed():
             stderr=subprocess.PIPE,
             stdin=subprocess.PIPE,
         )
-        stdout, stderr = process.communicate(
-            input=b"q\n"
-        )  # Send 'q' (quit) followed by newline
+        stdout, stderr = process.communicate(input=b"q\n")  # Send 'q' (quit) followed by newline
 
         # Check for keywords in output indicating successful execution
-        if (
-            b"SAMMY Version" in stdout
-            or b"What is the name of the INPut file" in stdout
-        ):
+        if b"SAMMY Version" in stdout or b"What is the name of the INPut file" in stdout:
             print("SAMMY is installed and available in the PATH.")
         else:
             print("SAMMY could not be launched or might not be installed correctly.")
diff --git a/src/pleiades/sammyInput.py b/legacy/pleiades_old/sammyInput.py
similarity index 91%
rename from src/pleiades/sammyInput.py
rename to legacy/pleiades_old/sammyInput.py
index 830fc84..27a0353 100644
--- a/src/pleiades/sammyInput.py
+++ b/legacy/pleiades_old/sammyInput.py
@@ -1,11 +1,12 @@
 import configparser
-from pleiades import nucData as pnd
-from contextlib import suppress
 import datetime
+from contextlib import suppress
+
+from pleiades import nucData
+from pleiades import nucData as pnd
 
 # SammyFitConfig imports from PLEIADES
 from pleiades.sammyStructures import SammyFitConfig
-from pleiades import nucData
 
 print_header_check = "\033[1;34m<SAMMY Inputs>\033[0m "
 print_header_good = "\033[1;32m<SAMMY Inputs>\033[0m "
@@ -15,9 +16,7 @@
 class InputFile:
     """InputFile class for the Sammy input file."""
 
-    def __init__(
-        self, config_file: str = None, auto_update: bool = True, verbose_level: int = 0
-    ) -> None:
+    def __init__(self, config_file: str = None, auto_update: bool = True, verbose_level: int = 0) -> None:
         """Reads an .ini config file to create a structured SAMMY inp file
             If a string is not given for the config_file, the default values will be used
             and a default SAMMY input file will be created.
@@ -35,19 +34,14 @@ def __init__(
         # If config file is given, read the file and update the default parameters
         if config_file is not None:
             if verbose_level > 0:
-                print(
-                    f"{print_header_check} Reading SAMMY input config file: {config_file}"
-                )
+                print(f"{print_header_check} Reading SAMMY input config file: {config_file}")
 
             # read the config file using configparser
             self._config = configparser.ConfigParser()
             self._config.read(config_file)
 
             # turn the configparser object into a dict of dicts data-structure
-            self._config_data = {
-                section: dict(self._config[section])
-                for section in self._config.sections()
-            }
+            self._config_data = {section: dict(self._config[section]) for section in self._config.sections()}
 
             # TODO: right now Card10 is not required
             # since we are specifying spin group data in the par file
@@ -60,9 +54,7 @@ def __init__(
 
         else:
             if verbose_level > 0:
-                print(
-                    f"{print_header_check} No input config file given. Using default parameters for input deck."
-                )
+                print(f"{print_header_check} No input config file given. Using default parameters for input deck.")
 
         # update auto values
         self._update_and_calculate_values(auto_update=auto_update)
@@ -73,9 +65,7 @@ def __init__(
 
         return
 
-    def update_with_config(
-        self, config: SammyFitConfig, isotope: str = "", for_endf: bool = False
-    ) -> "InputFile":
+    def update_with_config(self, config: SammyFitConfig, isotope: str = "", for_endf: bool = False) -> "InputFile":
         """
         Update the SAMMY input data with isotope-specific information and configuration.
 
@@ -96,18 +86,14 @@ def update_with_config(
 
         # Set isotope and atomic weight (use auto to calculate if necessary)
         self.data["Card2"]["elmnt"] = isotope
-        self.data["Card2"]["aw"] = (
-            "auto"  # This will trigger auto calculation of atomic weight
-        )
+        self.data["Card2"]["aw"] = "auto"  # This will trigger auto calculation of atomic weight
         self.data["Card2"]["emin"] = config.params["fit_energy_min"]
         self.data["Card2"]["emax"] = config.params["fit_energy_max"]
 
         # Set commands for Card3
         if for_endf:
             # Resetting the commands for running SAMMY to generate output par files based on ENDF.
-            self.data["Card3"]["commands"] = (
-                "TWENTY,DO NOT SOLVE BAYES EQUATIONS,INPUT IS ENDF/B FILE"
-            )
+            self.data["Card3"]["commands"] = "TWENTY,DO NOT SOLVE BAYES EQUATIONS,INPUT IS ENDF/B FILE"
         else:
             self.data["Card3"]["commands"] = (
                 "CHI_SQUARED,TWENTY,SOLVE_BAYES,QUANTUM_NUMBERS,REICH-MOORE FORMALISm is wanted,GENERATE ODF FILE AUTOMATICALLY,USE I4 FORMAT TO READ SPIN GROUP NUMBER"
@@ -156,22 +142,14 @@ def process(self, auto_update: bool = True) -> "InputFile":
                 if par_width:
                     # Format parameter based on its type and width
                     if par_type == str:  # noqa: E721
-                        line += self.format_type_A(
-                            self.data[card][parameter], par_width
-                        )
+                        line += self.format_type_A(self.data[card][parameter], par_width)
                     elif par_type == int:  # noqa: E721
-                        line += self.format_type_I(
-                            int(self.data[card][parameter]), par_width
-                        )
+                        line += self.format_type_I(int(self.data[card][parameter]), par_width)
                     elif par_type == float:  # noqa: E721
-                        line += self.format_type_F(
-                            float(self.data[card][parameter]), par_width
-                        )
+                        line += self.format_type_F(float(self.data[card][parameter]), par_width)
                     else:
                         # Raise an error for unsupported parameter types
-                        raise ValueError(
-                            f"{print_header_bad} Parameter can only have float, int, or str types"
-                        )
+                        raise ValueError(f"{print_header_bad} Parameter can only have float, int, or str types")
                 else:
                     # Handle free format cards like Card3
                     if card == "Card3":
@@ -418,9 +396,7 @@ def _update_and_calculate_values(self, auto_update: bool = True) -> None:
             if auto_update and command.startswith("INPUT IS ENDF"):
                 commands[i] = f"INPUT IS ENDF/B FILE MAT={mat_number}"
             if command.startswith("FILE="):
-                self._resolution_commands = (
-                    f"USER-DEFINED RESOLUTION FUNCTION\n{command}\n"
-                )
+                self._resolution_commands = f"USER-DEFINED RESOLUTION FUNCTION\n{command}\n"
                 commands.pop(i)
 
         self.data["Card3"]["commands"] = ",".join(commands)
diff --git a/src/pleiades/sammyOutput.py b/legacy/pleiades_old/sammyOutput.py
similarity index 97%
rename from src/pleiades/sammyOutput.py
rename to legacy/pleiades_old/sammyOutput.py
index 626f0c0..a3ead4d 100644
--- a/src/pleiades/sammyOutput.py
+++ b/legacy/pleiades_old/sammyOutput.py
@@ -88,17 +88,13 @@ def preprocess_lpt_file(self):
         for i, line in enumerate(lines):
             # Extract general information
             if line.startswith(" Emin and Emax ="):
-                self._results["General"]["Emin"], self._results["General"]["Emax"] = (
-                    self._parse_emin_emax(line)
-                )
+                self._results["General"]["Emin"], self._results["General"]["Emax"] = self._parse_emin_emax(line)
             elif line.startswith(" TARGET ELEMENT IS"):
                 self._results["General"]["Target Element"] = line.split("IS")[1].strip()
             elif line.startswith(" ATOMIC WEIGHT IS"):
                 self._results["General"]["Atomic Weight"] = line.split("IS")[1].strip()
             elif line.startswith(" Number of nuclides is "):
-                self._results["General"]["Number of nuclides"] = int(
-                    line.split("is")[1].strip()
-                )
+                self._results["General"]["Number of nuclides"] = int(line.split("is")[1].strip())
 
             # Identify the start of each iteration block
             elif any(flag in line for flag in iteration_start_flags):
@@ -110,9 +106,7 @@ def preprocess_lpt_file(self):
                 end_line = iteration_start_lines[i + 1] - 1
             else:
                 end_line = len(lines) - 1
-            self._results["General"]["Iteration Block Lines"].append(
-                [start_line, end_line]
-            )
+            self._results["General"]["Iteration Block Lines"].append([start_line, end_line])
 
     def grab_results_of_fits(self):
         """grabs the results of each iteration block and stores them in the results structure
@@ -153,9 +147,7 @@ def _parse_iteration_block(self, block_lines):
             # If the line contains TEMPERATURE and THICKNESS, then their information is to follow (next line)
             if "TEMPERATURE" in line and "THICKNESS" in line:
                 # Extract temperature and thickness from the line
-                match = re.search(
-                    r"(\d+\.\d+E[+-]?\d+)\s+(\d+\.\d+E[+-]?\d+)", block_lines[i + 1]
-                )
+                match = re.search(r"(\d+\.\d+E[+-]?\d+)\s+(\d+\.\d+E[+-]?\d+)", block_lines[i + 1])
                 if match:
                     iteration_result["Temperature"] = float(match.group(1))
                     iteration_result["Thickness"] = float(match.group(2))
@@ -191,12 +183,7 @@ def _parse_iteration_block(self, block_lines):
                     iteration_result["RedChi2"] = float(match.group(1))
 
             # If the line contains Nuclide, Abundance, Mass, and Spin groups, then information on the nuclides is to follow
-            elif (
-                " Nuclide" in line
-                and "Abundance" in line
-                and "Mass" in line
-                and "Spin groups" in line
-            ):
+            elif " Nuclide" in line and "Abundance" in line and "Mass" in line and "Spin groups" in line:
                 # Extract nuclide information
                 for j in range(self._results["General"]["Number of nuclides"]):
                     iteration_result["Nuclides"].append(
@@ -255,9 +242,7 @@ def _print(self, iteration_index: int = None):
             if 0 <= iteration_index < len(self._results["Iteration Results"]):
                 self._print_iteration(iteration_index)
             else:
-                print(
-                    f"Error: Invalid iteration index {iteration_index}. Valid range: 0 to {len(self._results['Iteration Results']) - 1}"
-                )
+                print(f"Error: Invalid iteration index {iteration_index}. Valid range: 0 to {len(self._results['Iteration Results']) - 1}")
         else:
             # Print all iterations
             for idx in range(len(self._results["Iteration Results"])):
@@ -481,7 +466,7 @@ def param_table(self, only_vary:bool = True,
 
         params = {}
         for line in parameter_lines:
-            for match in re.compile(r'([0-9.]+(?:[eE][+-]?\d+)?)\s*\(\s*(\d+)\)').finditer(line):
+            for match in re.compile(r'([0-9.]+(?:[eE][+-]?\\d+)?)\\s*\\(\\s*(\\d+)\\)').finditer(line):
                 if match:
                     params[int(match.group(2))] = float(match.group(1))
 
diff --git a/src/pleiades/sammyParFile.py b/legacy/pleiades_old/sammyParFile.py
similarity index 87%
rename from src/pleiades/sammyParFile.py
rename to legacy/pleiades_old/sammyParFile.py
index 2394f21..ad3b466 100644
--- a/src/pleiades/sammyParFile.py
+++ b/legacy/pleiades_old/sammyParFile.py
@@ -16,10 +16,10 @@
 #   - Import the this class with 'from pleiades import sammyParFile'
 
 # General imports
-import re
-import pathlib
 import configparser
 import json
+import pathlib
+import re
 
 
 class ParFile:
@@ -275,18 +275,12 @@ def read(self) -> "ParFile":
                         if line.startswith("Name"):
                             if particle_pair:
                                 particle_pair = " ".join(particle_pair)
-                                particle_pairs.append(
-                                    particle_pair
-                                )  # stack particle pairs in list
+                                particle_pairs.append(particle_pair)  # stack particle pairs in list
                             particle_pair = []
                         particle_pair.append(line)
                         line = next(fid)
-                    particle_pair = " ".join(particle_pair)[
-                        :-1
-                    ]  # remove the last '\n' character
-                    particle_pairs.append(
-                        particle_pair
-                    )  # stack the final particle pairs in list
+                    particle_pair = " ".join(particle_pair)[:-1]  # remove the last '\n' character
+                    particle_pairs.append(particle_pair)  # stack the final particle pairs in list
 
                 # read spin group and channel cards
                 if line.upper().startswith("SPIN GROUP INFO"):
@@ -373,9 +367,7 @@ def write(self, filename: str = "params.par") -> None:
         os.makedirs(self.filename.parent, exist_ok=True)
 
         if not self.data:
-            raise RuntimeError(
-                "self.data is empty, please run the self.read() method first"
-            )
+            raise RuntimeError("self.data is empty, please run the self.read() method first")
 
         lines = []
 
@@ -393,9 +385,7 @@ def write(self, filename: str = "params.par") -> None:
             # first line is the spin group info
             lines.append(self._write_spin_group(card[0]))
             # number of channels for this group
-            n_channels = int(card[0]["n_entrance_channel"]) + int(
-                card[0]["n_exit_channel"]
-            )
+            n_channels = int(card[0]["n_entrance_channel"]) + int(card[0]["n_exit_channel"])
             for channel in range(1, n_channels + 1):
                 lines.append(self._write_spin_channel(card[channel]))
         lines.append(" ")
@@ -446,29 +436,11 @@ def write(self, filename: str = "params.par") -> None:
         if any(self.data["misc"].values()):
             lines.append("MISCELLANEOUS PARAMETERS FOLLOW".ljust(80))
             card = self.data["misc"]
-            if any(
-                [
-                    value
-                    for key, value in self.data["misc"].items()
-                    if key in self._MISC_DELTA_FORMAT
-                ]
-            ):
+            if any([value for key, value in self.data["misc"].items() if key in self._MISC_DELTA_FORMAT]):
                 lines.append(self._write_misc_delta(card))
-            if any(
-                [
-                    value
-                    for key, value in self.data["misc"].items()
-                    if key in self._MISC_TZERO_FORMAT
-                ]
-            ):
+            if any([value for key, value in self.data["misc"].items() if key in self._MISC_TZERO_FORMAT]):
                 lines.append(self._write_misc_tzero(card))
-            if any(
-                [
-                    value
-                    for key, value in self.data["misc"].items()
-                    if key in self._MISC_DELTE_FORMAT
-                ]
-            ):
+            if any([value for key, value in self.data["misc"].items() if key in self._MISC_DELTE_FORMAT]):
                 lines.append(self._write_misc_deltE(card))
             lines.append(" " * 80)
             lines.append("")
@@ -557,9 +529,7 @@ def __add__(self, isotope: "ParFile") -> "ParFile":
             compound.data["isotopic_masses"].update(isotope.data["isotopic_masses"])
 
             # update info
-            isotopes = (
-                compound.data["info"]["isotopes"] + isotope.data["info"]["isotopes"]
-            )
+            isotopes = compound.data["info"]["isotopes"] + isotope.data["info"]["isotopes"]
             compound.data["info"].update(isotope.data["info"])
             compound.data["info"]["isotopes"] = isotopes
 
@@ -582,9 +552,7 @@ def _parse_spin_group_cards(self) -> None:
         Returns: (list of dicts): list containing groups, each group is a dictionary containing key-value dicts for spin_groups and channels
         """
         sg_dict = []
-        lines = (
-            line for line in self._spin_group_cards
-        )  # convert to a generator object
+        lines = (line for line in self._spin_group_cards)  # convert to a generator object
 
         for line in lines:
             # read each line
@@ -594,9 +562,7 @@ def _parse_spin_group_cards(self) -> None:
             spin_group = [spin_group_dict]
 
             # number of channels for this group
-            n_channels = int(spin_group_dict["n_entrance_channel"]) + int(
-                spin_group_dict["n_exit_channel"]
-            )
+            n_channels = int(spin_group_dict["n_entrance_channel"]) + int(spin_group_dict["n_exit_channel"])
 
             # loop over channels
             for n in range(n_channels):
@@ -613,9 +579,7 @@ def _parse_spin_group_cards(self) -> None:
     def _parse_channel_radii_cards(self) -> None:
         """parse a list of channel-radii and channel-groups cards and sort the key-word pairs"""
         cr_data = []
-        cards = (
-            card for card in self._channel_radii_cards
-        )  # convert to a generator object
+        cards = (card for card in self._channel_radii_cards)  # convert to a generator object
 
         # parse channel radii and groups using regex
         cr_pattern = r"Radii=\s*([\d.]+),\s*([\d.]+)\s*Flags=\s*([\d]+),\s*([\d]+)"
@@ -634,9 +598,7 @@ def _parse_channel_radii_cards(self) -> None:
             card = next(cards)
             while match := re.search(cg_pattern, card):
                 group = int(match.group(1))  # Extract Group as an integer
-                channels = [
-                    int(ch) for ch in match.group(2).split(",")
-                ]  # Extract Channels as a list of integers
+                channels = [int(ch) for ch in match.group(2).split(",")]  # Extract Channels as a list of integers
 
                 cg_data.append([group] + channels)
 
@@ -662,19 +624,14 @@ def _parse_resonance_params_cards(self) -> None:
     def _parse_isotopic_masses_cards(self) -> None:
         """parse a list of isotopic_masses cards, sort the key-word values"""
         im_dicts = {}
-        for isotope, card in zip(
-            self.data["particle_pairs"], self._isotopic_masses_cards
-        ):
+        for isotope, card in zip(self.data["particle_pairs"], self._isotopic_masses_cards):
             im_dicts.update(**{isotope["name"]: self._read_isotopic_masses(card)})
 
         self.data.update({"isotopic_masses": im_dicts})
 
     def _read_particle_pairs(self, particle_pairs_line: str) -> dict:
         # parse key-word pairs from a particle_pairs line
-        particle_pairs_dict = {
-            key: particle_pairs_line[value]
-            for key, value in self._PARTICLE_PAIRS_FORMAT.items()
-        }
+        particle_pairs_dict = {key: particle_pairs_line[value] for key, value in self._PARTICLE_PAIRS_FORMAT.items()}
         return particle_pairs_dict
 
     def _write_particle_pairs(self, particle_pairs_dict: dict) -> str:
@@ -686,17 +643,12 @@ def _write_particle_pairs(self, particle_pairs_dict: dict) -> str:
         for key, slice_value in self._PARTICLE_PAIRS_FORMAT.items():
             word_length = slice_value.stop - slice_value.start
             # assign the fixed-format position with the corresponding key-word value
-            new_text[slice_value] = list(
-                str(particle_pairs_dict[key]).ljust(word_length)
-            )
+            new_text[slice_value] = list(str(particle_pairs_dict[key]).ljust(word_length))
         return "".join(new_text).replace("\n ", "\n")
 
     def _read_spin_group(self, spin_group_line: str) -> dict:
         # parse key-word pairs from a spin_group line
-        spin_group_dict = {
-            key: spin_group_line[value]
-            for key, value in self._SPIN_GROUP_FORMAT.items()
-        }
+        spin_group_dict = {key: spin_group_line[value] for key, value in self._SPIN_GROUP_FORMAT.items()}
         return spin_group_dict
 
     def _write_spin_group(self, spin_group_dict: dict) -> str:
@@ -710,10 +662,7 @@ def _write_spin_group(self, spin_group_dict: dict) -> str:
 
     def _read_spin_channel(self, spin_channel_line: str) -> dict:
         # parse key-word pairs from a spin-channel line
-        spin_channel_dict = {
-            key: spin_channel_line[value]
-            for key, value in self._SPIN_CHANNEL_FORMAT.items()
-        }
+        spin_channel_dict = {key: spin_channel_line[value] for key, value in self._SPIN_CHANNEL_FORMAT.items()}
         return spin_channel_dict
 
     def _write_spin_channel(self, spin_channel_dict: dict) -> str:
@@ -740,10 +689,7 @@ def _write_channel_radii(self, channel_radii_dict: dict) -> str:
 
     def _read_resonance_params(self, resonance_params_line: str) -> dict:
         # parse key-word pairs from a resonance_params line
-        resonance_params_dict = {
-            key: resonance_params_line[value]
-            for key, value in self._RESONANCE_PARAMS_FORMAT.items()
-        }
+        resonance_params_dict = {key: resonance_params_line[value] for key, value in self._RESONANCE_PARAMS_FORMAT.items()}
         return resonance_params_dict
 
     def _write_resonance_params(self, resonance_params_dict: dict) -> str:
@@ -752,17 +698,12 @@ def _write_resonance_params(self, resonance_params_dict: dict) -> str:
         for key, slice_value in self._RESONANCE_PARAMS_FORMAT.items():
             word_length = slice_value.stop - slice_value.start
             # assign the fixed-format position with the corresponding key-word value
-            new_text[slice_value] = list(
-                str(resonance_params_dict[key]).ljust(word_length)
-            )
+            new_text[slice_value] = list(str(resonance_params_dict[key]).ljust(word_length))
         return "".join(new_text)
 
     def _read_isotopic_masses(self, isotopic_masses_line: str) -> None:
         # parse key-word pairs from a isotopic-masses line
-        isotopic_masses_dict = {
-            key: isotopic_masses_line[value]
-            for key, value in self._ISOTOPIC_MASSES_FORMAT.items()
-        }
+        isotopic_masses_dict = {key: isotopic_masses_line[value] for key, value in self._ISOTOPIC_MASSES_FORMAT.items()}
         return isotopic_masses_dict
 
     def _write_isotopic_masses(self, isotopic_masses_dict: dict) -> str:
@@ -771,9 +712,7 @@ def _write_isotopic_masses(self, isotopic_masses_dict: dict) -> str:
         for key, slice_value in self._ISOTOPIC_MASSES_FORMAT.items():
             word_length = slice_value.stop - slice_value.start
             # assign the fixed-format position with the corresponding key-word value
-            new_text[slice_value] = list(
-                str(isotopic_masses_dict[key]).ljust(word_length)
-            )
+            new_text[slice_value] = list(str(isotopic_masses_dict[key]).ljust(word_length))
         return "".join(new_text)
 
     def _write_normalization(self, normalization_dict: dict) -> str:
@@ -782,9 +721,7 @@ def _write_normalization(self, normalization_dict: dict) -> str:
         for key, slice_value in self._NORMALIZATION_FORMAT.items():
             word_length = slice_value.stop - slice_value.start
             # assign the fixed-format position with the corresponding key-word value
-            new_text[slice_value] = list(
-                str(normalization_dict[key]).ljust(word_length)
-            )
+            new_text[slice_value] = list(str(normalization_dict[key]).ljust(word_length))
         return "".join(new_text)
 
     def _write_broadening(self, broadening_dict: dict) -> str:
@@ -828,9 +765,7 @@ def _write_misc_deltE(self, misc_deltE_dict: dict) -> str:
 
     def _write_resolution(self, resolution_dict: dict) -> str:
         # write a formatted resolution line from dict with the key-word resolution values
-        new_text = (
-            [" "] * 80 + ["\n"]
-        ) * 10  # 80 characters long list of spaces to be filled
+        new_text = ([" "] * 80 + ["\n"]) * 10  # 80 characters long list of spaces to be filled
         resolution_dict["burst_keyword"] = "BURST"
         resolution_dict["tau_keyword"] = resolution_dict["tau_keyword2"] = "TAU  "
         resolution_dict["lambd_keyword"] = resolution_dict["lambd_keyword2"] = "LAMBD"
@@ -840,9 +775,7 @@ def _write_resolution(self, resolution_dict: dict) -> str:
         for key, slice_value in self._RESOLUTION_FORMAT.items():
             word_length = slice_value.stop - slice_value.start
             # assign the fixed-format position with the corresponding key-word value
-            new_text[slice_value] = list(
-                str(resolution_dict[key]).ljust(word_length)[:word_length]
-            )
+            new_text[slice_value] = list(str(resolution_dict[key]).ljust(word_length)[:word_length])
         return "".join(new_text)
 
 
@@ -870,19 +803,12 @@ def bump_group_number(self, increment: int = 0) -> None:
         # bump isotopic masses
         if self.parent.data["isotopic_masses"]:
             for key, isotope in self.parent.data["isotopic_masses"].items():
-                spin_groups = [
-                    f"{group[0]['group_number'].strip():>5}"
-                    for group in self.parent.data["spin_group"]
-                ]
+                spin_groups = [f"{group[0]['group_number'].strip():>5}" for group in self.parent.data["spin_group"]]
 
                 sg_formatted = "".join(spin_groups[:8]).ljust(43)
-                L = (
-                    (len(spin_groups) - 8) // 15 if len(spin_groups) > 8 else -1
-                )  # number of extra lines needed
+                L = (len(spin_groups) - 8) // 15 if len(spin_groups) > 8 else -1  # number of extra lines needed
                 for l in range(0, L + 1):  # noqa: E741
-                    sg_formatted += "-1\n" + "".join(
-                        spin_groups[8 + 15 * l : 8 + 15 * (l + 1)]
-                    ).ljust(78)
+                    sg_formatted += "-1\n" + "".join(spin_groups[8 + 15 * l : 8 + 15 * (l + 1)]).ljust(78)
                 isotope["spin_groups"] = sg_formatted
 
     def bump_igroup_number(self, increment: int = 0) -> None:
@@ -907,28 +833,17 @@ def isotopic_masses_abundance(self) -> None:
         """Update the isotopic masses data"""
         if self.parent.data["isotopic_masses"]:
             for card in self.parent.data["isotopic_masses"]:
-                self.parent.data["isotopic_masses"][card]["abundance"] = (
-                    f"{f'{self.parent.weight:.7f}':>9}"[:9]
-                )
+                self.parent.data["isotopic_masses"][card]["abundance"] = f"{f'{self.parent.weight:.7f}':>9}"[:9]
         else:
-            spin_groups = [
-                f"{group[0]['group_number'].strip():>5}"
-                for group in self.parent.data["spin_group"]
-            ]
+            spin_groups = [f"{group[0]['group_number'].strip():>5}" for group in self.parent.data["spin_group"]]
 
             sg_formatted = "".join(spin_groups[:8]).ljust(43)
-            L = (
-                (len(spin_groups) - 8) // 15 if len(spin_groups) > 8 else -1
-            )  # number of extra lines needed
+            L = (len(spin_groups) - 8) // 15 if len(spin_groups) > 8 else -1  # number of extra lines needed
             for l in range(0, L + 1):  # noqa: E741
-                sg_formatted += "-1\n" + "".join(
-                    spin_groups[8 + 15 * l : 8 + 15 * (l + 1)]
-                ).ljust(78)
+                sg_formatted += "-1\n" + "".join(spin_groups[8 + 15 * l : 8 + 15 * (l + 1)]).ljust(78)
 
             iso_dict = {
-                "atomic_mass": f'{float(self.parent.data["particle_pairs"][0]["mass_b"]):>9}'[
-                    :9
-                ],
+                "atomic_mass": f'{float(self.parent.data["particle_pairs"][0]["mass_b"]):>9}'[:9],
                 "abundance": f"{f'{self.parent.weight:.7f}':>9}"[:9],
                 "abundance_uncertainty": f"{'':>9}",
                 "vary_abundance": "1".ljust(5),
@@ -939,25 +854,15 @@ def isotopic_masses_abundance(self) -> None:
     def define_as_element(self, name: str, weight: float = 1.0) -> None:
         from numpy import average
 
-        spin_groups = [
-            f"{group[0]['group_number'].strip():>5}"
-            for group in self.parent.data["spin_group"]
-        ]
+        spin_groups = [f"{group[0]['group_number'].strip():>5}" for group in self.parent.data["spin_group"]]
 
         sg_formatted = "".join(spin_groups[:8]).ljust(43)
-        L = (
-            (len(spin_groups) - 8) // 15 if len(spin_groups) > 8 else -1
-        )  # number of extra lines needed
+        L = (len(spin_groups) - 8) // 15 if len(spin_groups) > 8 else -1  # number of extra lines needed
         for l in range(0, L + 1):  # noqa: E741
-            sg_formatted += "-1\n" + "".join(
-                spin_groups[8 + 15 * l : 8 + 15 * (l + 1)]
-            ).ljust(78)
+            sg_formatted += "-1\n" + "".join(spin_groups[8 + 15 * l : 8 + 15 * (l + 1)]).ljust(78)
 
         aw = [float(i["mass_b"]) for i in self.parent.data["particle_pairs"]]
-        weights = [
-            float(self.parent.data["isotopic_masses"][i]["abundance"])
-            for i in self.parent.data["isotopic_masses"]
-        ]
+        weights = [float(self.parent.data["isotopic_masses"][i]["abundance"]) for i in self.parent.data["isotopic_masses"]]
         aw = average(aw, weights=weights)
 
         iso_dict = {
@@ -977,9 +882,7 @@ def toggle_vary_abundances(self, vary: bool = False) -> None:
             vary (bool, optional): True will flag all abundances to vary
         """
         for isotope in self.parent.data["isotopic_masses"]:
-            self.parent.data["isotopic_masses"][isotope]["vary_abundance"] = (
-                f"{vary:<5}"
-            )
+            self.parent.data["isotopic_masses"][isotope]["vary_abundance"] = f"{vary:<5}"
             self.parent.data["info"][f"vary_{isotope}"] = f"{vary:<5}"
 
     def limit_energies_of_parfile(self) -> None:
@@ -989,9 +892,7 @@ def limit_energies_of_parfile(self) -> None:
         for num, res in enumerate(self.parent.data["resonance_params"]):
             # cast all numbers such as "3.6700-5" to floats
             energy = (
-                "e-".join(res["reosnance_energy"].split("-"))
-                .lstrip("e")
-                .replace("+", "e+")
+                "e-".join(res["reosnance_energy"].split("-")).lstrip("e").replace("+", "e+")
                 if "e" not in res["reosnance_energy"]
                 else res["reosnance_energy"]
             )
@@ -1042,9 +943,7 @@ def limit_energies_of_parfile(self) -> None:
 
         # reindex spin groups
         for group in self.parent.data["spin_group"]:
-            group[0]["group_number"] = (
-                f"{index_map[group[0]['group_number'].strip()]:>3}"
-            )
+            group[0]["group_number"] = f"{index_map[group[0]['group_number'].strip()]:>3}"
 
         return
 
@@ -1090,20 +989,12 @@ def vary_resonances_in_energy_range(
         for card in self.parent.data["resonance_params"]:
             if emin <= float(card["reosnance_energy"]) <= emax:
                 card["vary_energy"] = f"{1:>2}" if vary_energies else f"{0:>2}"
-                card["vary_capture_width"] = (
-                    f"{1:>2}" if vary_gamma_widths else f"{0:>2}"
-                )
-                card["vary_neutron_width"] = (
-                    f"{1:>2}" if vary_neutron_widths else f"{0:>2}"
-                )
+                card["vary_capture_width"] = f"{1:>2}" if vary_gamma_widths else f"{0:>2}"
+                card["vary_neutron_width"] = f"{1:>2}" if vary_neutron_widths else f"{0:>2}"
                 if card["fission1_width"].strip():
-                    card["vary_fission1_width"] = (
-                        f"{1:>2}" if vary_fission_widths else f"{0:>2}"
-                    )
+                    card["vary_fission1_width"] = f"{1:>2}" if vary_fission_widths else f"{0:>2}"
                 if card["fission2_width"].strip():
-                    card["vary_fission2_width"] = (
-                        f"{1:>2}" if vary_fission_widths else f"{0:>2}"
-                    )
+                    card["vary_fission2_width"] = f"{1:>2}" if vary_fission_widths else f"{0:>2}"
 
     def normalization(self, **kwargs) -> None:
         """change or vary normalization parameters and vary flags
@@ -1138,13 +1029,7 @@ def normalization(self, **kwargs) -> None:
                 "vary_exp_decay_bg": 0,
             }
 
-        self.parent.data["normalization"].update(
-            {
-                key: value
-                for key, value in kwargs.items()
-                if key in self.parent.data["normalization"]
-            }
-        )
+        self.parent.data["normalization"].update({key: value for key, value in kwargs.items() if key in self.parent.data["normalization"]})
 
     def broadening(self, **kwargs) -> None:
         """change or vary broadening parameters and vary flags
@@ -1178,13 +1063,7 @@ def broadening(self, **kwargs) -> None:
                 "vary_deltae_us": 0,
             }
 
-        self.parent.data["broadening"].update(
-            {
-                key: value
-                for key, value in kwargs.items()
-                if key in self.parent.data["broadening"]
-            }
-        )
+        self.parent.data["broadening"].update({key: value for key, value in kwargs.items() if key in self.parent.data["broadening"]})
 
     def misc(self, **kwargs) -> None:
         """change or vary misc parameters and vary flags
@@ -1226,13 +1105,7 @@ def misc(self, **kwargs) -> None:
                 "DlnE": "",
             }
 
-        self.parent.data["misc"].update(
-            {
-                key: value
-                for key, value in kwargs.items()
-                if key in self.parent.data["misc"]
-            }
-        )
+        self.parent.data["misc"].update({key: value for key, value in kwargs.items() if key in self.parent.data["misc"]})
 
     def resolution(self, **kwargs) -> None:
         """change or vary resolution parameters and vary flags
@@ -1365,13 +1238,7 @@ def resolution(self, **kwargs) -> None:
                 "chann": "",
             }
 
-        self.parent.data["resolution"].update(
-            {
-                key: value
-                for key, value in kwargs.items()
-                if key in self.parent.data["resolution"]
-            }
-        )
+        self.parent.data["resolution"].update({key: value for key, value in kwargs.items() if key in self.parent.data["resolution"]})
 
     def vary_all(self, vary=True, data_key="misc_delta"):
         """toggle all vary parameters in a data keyword to either vary/fixed
@@ -1387,9 +1254,7 @@ def vary_all(self, vary=True, data_key="misc_delta"):
         """
         keyword = data_key.split("_")[0]
         data_dict = getattr(self.parent, f"_{data_key.upper()}_FORMAT")
-        self.parent.data[keyword].update(
-            {key: int(vary) for key in data_dict if key.startswith("vary_")}
-        )
+        self.parent.data[keyword].update({key: int(vary) for key in data_dict if key.startswith("vary_")})
 
     def save_params_to_config(self) -> None:
         # write the self.data dictionary to a config.ini file
diff --git a/src/pleiades/sammyPlotter.py b/legacy/pleiades_old/sammyPlotter.py
similarity index 91%
rename from src/pleiades/sammyPlotter.py
rename to legacy/pleiades_old/sammyPlotter.py
index a9cd4e1..3d6c39c 100644
--- a/src/pleiades/sammyPlotter.py
+++ b/legacy/pleiades_old/sammyPlotter.py
@@ -1,6 +1,6 @@
+import matplotlib.pyplot as plt
 import numpy as np
 import pandas as pd
-import matplotlib.pyplot as plt
 
 
 def process_and_plot_lst_file(filename, residual=False, quantity="cross-section"):
@@ -93,12 +93,8 @@ def plot_cross_section(data, residual=False):
         ax[0].set_ylabel("Cross Section (barns)")
         ax[0].legend()
 
-        plt.plot(
-            energy, diff_initial, label="Difference Initial", marker="o", linestyle="-"
-        )
-        plt.plot(
-            energy, diff_final, label="Difference Final", marker="o", linestyle="-"
-        )
+        plt.plot(energy, diff_initial, label="Difference Initial", marker="o", linestyle="-")
+        plt.plot(energy, diff_final, label="Difference Final", marker="o", linestyle="-")
         plt.ylabel("Difference (barns)")
 
     else:
@@ -188,13 +184,8 @@ def plot_transmission(data, residual=False):
         ax[1].set_xticks([])
         ax[1].set_yticks([], [])
 
-        data["residual_initial"] = (
-            data["Zeroth-order theoretical transmission"]
-            - data["Experimental transmission"]
-        )
-        data["residual_final"] = (
-            data["Final theoretical transmission"] - data["Experimental transmission"]
-        )
+        data["residual_initial"] = data["Zeroth-order theoretical transmission"] - data["Experimental transmission"]
+        data["residual_final"] = data["Final theoretical transmission"] - data["Experimental transmission"]
 
         # data.plot.scatter(x="Energy",y="residual_initial",yerr="Absolute uncertainty in experimental transmission",lw=0,ylim=(-10,10),color=initial_color,ax=ax[2],alpha=0.5,legend=False)
         data.plot.scatter(
@@ -246,16 +237,12 @@ def plot_transmission(data, residual=False):
 
 def read_data(filename):
     # Load the data
-    data = np.loadtxt(
-        filename, delimiter=" ", skiprows=1
-    )  # Assuming space delimited and one header row
+    data = np.loadtxt(filename, delimiter=" ", skiprows=1)  # Assuming space delimited and one header row
 
     # Check number of columns
     num_cols = data.shape[1]
     if num_cols != 13:
-        raise ValueError(
-            "Incorrect number of columns. Expected 13 but got {}".format(num_cols)
-        )
+        raise ValueError(f"Incorrect number of columns. Expected 13 but got {num_cols}")
 
     return data
 
diff --git a/src/pleiades/sammyRunner.py b/legacy/pleiades_old/sammyRunner.py
similarity index 92%
rename from src/pleiades/sammyRunner.py
rename to legacy/pleiades_old/sammyRunner.py
index 582d849..0c2d329 100644
--- a/src/pleiades/sammyRunner.py
+++ b/legacy/pleiades_old/sammyRunner.py
@@ -20,14 +20,15 @@
 #       with 'from pleiades.sammyStructures import SammyFitConfig'
 
 # General imports
-import pathlib
+import datetime
 import glob
 import os
+import pathlib
 import shutil
 import subprocess
 import textwrap
+
 import numpy as np
-import datetime
 
 # SammyFitConfig imports from PLEIADES
 from pleiades.sammyStructures import SammyFitConfig, sammyRunConfig
@@ -118,9 +119,7 @@ def set_sammy_call_method(docker_image_name: str = "", verbose_level: int = 0) -
         docker_image = docker_image_name
         docker_command = f"docker image inspect {docker_image}"
         try:
-            subprocess.check_output(
-                docker_command, shell=True, stderr=subprocess.STDOUT
-            )
+            subprocess.check_output(docker_command, shell=True, stderr=subprocess.STDOUT)
             if verbose_level > 0:
                 print(f"{print_header_good} Found docker version of SAMMY")
             sammy_call = "docker"
@@ -174,9 +173,7 @@ def run_sammy_fit(config: sammyRunConfig, verbose_level: int = 0) -> None:
 
     # Print info based on verbosity level
     if verbose_level > 0:
-        print(
-            f"{print_header_check} ----------------------- Running SAMMY for {sammy_fit_name}"
-        )
+        print(f"{print_header_check} ----------------------- Running SAMMY for {sammy_fit_name}")
         if verbose_level > 1:
             print(f"{print_header_check} input_file: {full_path_to_input_file}")
             print(f"{print_header_check} par_file: {full_path_to_params_file}")
@@ -188,9 +185,7 @@ def run_sammy_fit(config: sammyRunConfig, verbose_level: int = 0) -> None:
     if not os.path.isfile(full_path_to_input_file):
         raise FileNotFoundError(f"{print_header_bad} Input file {input_file} not found")
     if not os.path.isfile(full_path_to_params_file):
-        raise FileNotFoundError(
-            f"{print_header_bad} Parameter file {params_file} not found"
-        )
+        raise FileNotFoundError(f"{print_header_bad} Parameter file {params_file} not found")
     if not os.path.isfile(full_path_to_data_file):
         raise FileNotFoundError(f"{print_header_bad} Data file {data_file} not found")
 
@@ -266,15 +261,11 @@ def run_sammy_fit(config: sammyRunConfig, verbose_level: int = 0) -> None:
     # Check if the SAMMY run was successful by opening the output file and checking for the line " Normal finish to SAMMY"
     with open(output_file, "r") as output:
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Checking SAMMY output file: {full_path_to_output_file}"
-            )
+            print(f"{print_header_check} Checking SAMMY output file: {full_path_to_output_file}")
         for line in output:
             if " Normal finish to SAMMY" in line:
                 if verbose_level > 0:
-                    print(
-                        f"{print_header_good} SAMMY fit was successful for {sammy_fit_name}"
-                    )
+                    print(f"{print_header_good} SAMMY fit was successful for {sammy_fit_name}")
                 break
         else:
             raise RuntimeError(
@@ -284,9 +275,7 @@ def run_sammy_fit(config: sammyRunConfig, verbose_level: int = 0) -> None:
     # Move all SAMMY output files with the prefix SAM to the results folder
     for file in glob.glob("SAM*"):
         # Construct the full path for the destination
-        destination_file = os.path.join(
-            full_path_to_result_files, os.path.basename(file)
-        )
+        destination_file = os.path.join(full_path_to_result_files, os.path.basename(file))
         # Check if the file already exists in the destination folder
         if os.path.exists(destination_file):
             # Remove the existing file in the destination folder
@@ -343,12 +332,8 @@ def run_endf(config: SammyFitConfig, isotope: str = "", verbose_level: int = 0)
     with open(fit_dir / input_file) as fid:
         next(fid)  # The first line is the isotope name
         line = next(fid)  # Read the second line with Emin and Emax
-        Emin = float(
-            line[20:30].strip()
-        )  # Extract Emin using character positions and strip spaces
-        Emax = float(
-            line[30:40].strip()
-        )  # Extract Emax using character positions and strip spaces
+        Emin = float(line[20:30].strip())  # Extract Emin using character positions and strip spaces
+        Emax = float(line[30:40].strip())  # Extract Emax using character positions and strip spaces
 
         if verbose_level > 1:
             print(f"{print_header_check} Emin: {Emin}, Emax: {Emax}")
@@ -371,9 +356,7 @@ def run_endf(config: SammyFitConfig, isotope: str = "", verbose_level: int = 0)
             fid.write(f"{energy:>20.8f}{transmission:>20.8f}{error:>20.8f}\n")
 
     if verbose_level > 0:
-        print(
-            f"{print_header_check} Dummy data file with {num_points} points written to {data_file}"
-        )
+        print(f"{print_header_check} Dummy data file with {num_points} points written to {data_file}")
 
     # Creating a par file based on ENDF file
     symlink_path = fit_dir / "res_endf8.endf"
@@ -439,14 +422,10 @@ def run_endf(config: SammyFitConfig, isotope: str = "", verbose_level: int = 0)
         for line in output_file:
             if " Normal finish to SAMMY" in line:
                 if verbose_level > 0:
-                    print(
-                        f"{print_header_good} SAMMY ENDF run was successful for {isotope}"
-                    )
+                    print(f"{print_header_good} SAMMY ENDF run was successful for {isotope}")
                 break
         else:
-            raise RuntimeError(
-                f"{print_header_bad} SAMMY ENDF run was not successful for {isotope}"
-            )
+            raise RuntimeError(f"{print_header_bad} SAMMY ENDF run was not successful for {isotope}")
 
     # Move the SAMNDF output files to the results folder
     for file in glob.glob("SAM*"):
diff --git a/src/pleiades/sammyStructures.py b/legacy/pleiades_old/sammyStructures.py
similarity index 89%
rename from src/pleiades/sammyStructures.py
rename to legacy/pleiades_old/sammyStructures.py
index dec5f89..630b7ef 100644
--- a/src/pleiades/sammyStructures.py
+++ b/legacy/pleiades_old/sammyStructures.py
@@ -116,9 +116,7 @@ def __init__(self, config_path=None):
         if config_path:
             print(f"{print_header_check} Loading configuration from {config_path}")
             if not os.path.exists(config_path):
-                raise FileNotFoundError(
-                    f"{print_header_bad} Config file {config_path} not found."
-                )
+                raise FileNotFoundError(f"{print_header_bad} Config file {config_path} not found.")
             else:
                 config = configparser.ConfigParser()
                 config.read(config_path)
@@ -126,9 +124,7 @@ def __init__(self, config_path=None):
 
             # Set sammy_fit_dir to sammy_fit_name if sammy_fit_dir is not provided or is empty
             if not self.params["directories"]["sammy_fit_dir"]:
-                self.params["directories"]["sammy_fit_dir"] = self.params[
-                    "sammy_fit_name"
-                ]
+                self.params["directories"]["sammy_fit_dir"] = self.params["sammy_fit_name"]
 
         # Check and create all needed directories
         self._check_directories()
@@ -147,26 +143,18 @@ def _load_from_config(self, config):
                         if "," in value:
                             # If the field is "abundances", convert to a list of floats
                             if key == "abundances":
-                                self.params[section][key] = [
-                                    float(v.strip()) for v in value.split(",")
-                                ]
+                                self.params[section][key] = [float(v.strip()) for v in value.split(",")]
                             else:
                                 # Otherwise, convert to a list of strings
-                                self.params[section][key] = [
-                                    v.strip() for v in value.split(",")
-                                ]
+                                self.params[section][key] = [v.strip() for v in value.split(",")]
                         else:
                             # Handle normal value conversion for non-list fields
-                            self.params[section][key] = self._convert_value(
-                                self._strip_quotes(value)
-                            )
+                            self.params[section][key] = self._convert_value(self._strip_quotes(value))
             else:
                 for key, value in config.items(section):
                     if key in self.params:
                         # Strip quotes and convert value
-                        self.params[key] = self._convert_value(
-                            self._strip_quotes(value)
-                        )
+                        self.params[key] = self._convert_value(self._strip_quotes(value))
 
     def _convert_value(self, value):
         """Helper method to convert a string value to the appropriate type.
@@ -211,9 +199,7 @@ def _check_directories(self):
             os.makedirs(working_dir, exist_ok=True)
 
         # Create archive_dir if it doesn't exist
-        archive_dir = pathlib.Path(
-            working_dir / self.params["directories"]["archive_dir"]
-        ).resolve()
+        archive_dir = pathlib.Path(working_dir / self.params["directories"]["archive_dir"]).resolve()
         if not os.path.exists(archive_dir):
             os.makedirs(archive_dir, exist_ok=True)
 
@@ -230,9 +216,7 @@ def _check_directories(self):
         # If user defined, then the endf_dir path is set in the configuration file
         if not self.params["directories"]["user_defined"]:
             # Set the data directory to be an absolute path
-            self.params["directories"]["data_dir"] = pathlib.Path(
-                self.params["directories"]["data_dir"]
-            ).resolve()
+            self.params["directories"]["data_dir"] = pathlib.Path(self.params["directories"]["data_dir"]).resolve()
 
             # set the working directory to be an absolute path
             self.params["directories"]["working_dir"] = working_dir
@@ -243,9 +227,7 @@ def _check_directories(self):
             self.params["directories"]["endf_dir"] = endf_dir_path
 
             # Convert the sammy_fit_dir_path to an absolute path
-            sammy_fit_dir_path = (
-                working_dir / self.params["directories"]["sammy_fit_dir"]
-            )
+            sammy_fit_dir_path = working_dir / self.params["directories"]["sammy_fit_dir"]
             sammy_fit_dir_path = pathlib.Path(sammy_fit_dir_path).resolve()
             self.params["directories"]["sammy_fit_dir"] = sammy_fit_dir_path
 
@@ -304,24 +286,12 @@ def _convert_from_sammy_fit_config(self, sammy_fit_config):
         self.params["sammy_command"] = sammy_fit_config.params["sammy_command"]
         self.params["sammy_fit_name"] = sammy_fit_config.params["sammy_fit_name"]
         self.params["run_endf_for_par"] = sammy_fit_config.params["run_endf_for_par"]
-        self.params["directories"]["data_dir"] = sammy_fit_config.params["directories"][
-            "data_dir"
-        ]
-        self.params["directories"]["sammy_fit_dir"] = sammy_fit_config.params[
-            "directories"
-        ]["sammy_fit_dir"]
-        self.params["filenames"]["data_file_name"] = sammy_fit_config.params[
-            "filenames"
-        ]["data_file_name"]
-        self.params["filenames"]["input_file_name"] = sammy_fit_config.params[
-            "filenames"
-        ]["input_file_name"]
-        self.params["filenames"]["params_file_name"] = sammy_fit_config.params[
-            "filenames"
-        ]["params_file_name"]
-        self.params["filenames"]["output_file_name"] = sammy_fit_config.params[
-            "filenames"
-        ]["output_file_name"]
+        self.params["directories"]["data_dir"] = sammy_fit_config.params["directories"]["data_dir"]
+        self.params["directories"]["sammy_fit_dir"] = sammy_fit_config.params["directories"]["sammy_fit_dir"]
+        self.params["filenames"]["data_file_name"] = sammy_fit_config.params["filenames"]["data_file_name"]
+        self.params["filenames"]["input_file_name"] = sammy_fit_config.params["filenames"]["input_file_name"]
+        self.params["filenames"]["params_file_name"] = sammy_fit_config.params["filenames"]["params_file_name"]
+        self.params["filenames"]["output_file_name"] = sammy_fit_config.params["filenames"]["output_file_name"]
 
     def print_params(self):
         """Prints the parameters in a nicely formatted way."""
diff --git a/src/pleiades/sammyUtils.py b/legacy/pleiades_old/sammyUtils.py
similarity index 75%
rename from src/pleiades/sammyUtils.py
rename to legacy/pleiades_old/sammyUtils.py
index 1a2320c..0d2483c 100755
--- a/src/pleiades/sammyUtils.py
+++ b/legacy/pleiades_old/sammyUtils.py
@@ -20,25 +20,25 @@
 #       with 'from pleiades.sammyStructures import SammyFitConfig'
 
 # General imports
-from pathlib import Path
-import pathlib
+import importlib.resources as pkg_resources
 import os
+import pathlib
 import shutil
+from pathlib import Path
+
 import numpy as np
-import importlib.resources as pkg_resources
+
+from pleiades import nucData, sammyInput, sammyParFile, sammyRunner
 
 # PLEIADES imports
 from pleiades.sammyStructures import SammyFitConfig, sammyRunConfig
-from pleiades import sammyParFile, sammyInput, sammyRunner, nucData
 
 print_header_check = "\033[1;34m<SAMMY Utilities>\033[0m "
 print_header_good = "\033[1;32m<SAMMY Utilities>\033[0m "
 print_header_bad = "\033[1;31m<SAMMY Utilities>\033[0m "
 
 
-def create_parFile_from_endf(
-    config: SammyFitConfig, archive: bool = True, verbose_level: int = 0
-) -> None:
+def create_parFile_from_endf(config: SammyFitConfig, archive: bool = True, verbose_level: int = 0) -> None:
     """
     Takes a SammyFitConfig object and creates SAMMY parFiles from ENDF data based on the isotopes specified in the configuration.
 
@@ -63,9 +63,7 @@ def create_parFile_from_endf(
 
     # first check to see if the SAMMY environment is set up correctly
     if not sammyRunner.check_sammy_environment(config, verbose_level):
-        raise FileNotFoundError(
-            f"{print_header_bad} SAMMY executable not found in the path"
-        )
+        raise FileNotFoundError(f"{print_header_bad} SAMMY executable not found in the path")
     else:
         if verbose_level > 0:
             print(f"{print_header_good} SAMMY executable found in the path")
@@ -81,12 +79,8 @@ def create_parFile_from_endf(
 
     # Print a header if verbose_level > 0
     if verbose_level > 0:
-        print(
-            f"\n{print_header_check} ================================================"
-        )
-        print(
-            f"{print_header_check} Creating SAMMY parFile files from ENDF data for isotopes: {isotopes}"
-        )
+        print(f"\n{print_header_check} ================================================")
+        print(f"{print_header_check} Creating SAMMY parFile files from ENDF data for isotopes: {isotopes}")
 
     # Set the ENDF directory path
     endf_dir_path = pathlib.Path(config.params["directories"]["endf_dir"]).resolve()
@@ -98,29 +92,21 @@ def create_parFile_from_endf(
             print(f"{print_header_check} ENDF directory created at {endf_dir_path}")
     else:
         if verbose_level > 0:
-            print(
-                f"{print_header_check} ENDF directory at {endf_dir_path} already exists"
-            )
+            print(f"{print_header_check} ENDF directory at {endf_dir_path} already exists")
 
     # Set the res_endf8.endf file path to be in the endf directory
     destination_res_endf = endf_dir_path / "res_endf8.endf"
 
     # Now check to see if the res_endf8.endf file exists in the endf dir. If not, copy it there.
     if not os.path.exists(destination_res_endf):
-        source_res_endf = pkg_resources.files("pleiades").joinpath(
-            "../../nucDataLibs/resonanceTables/res_endf8.endf"
-        )
+        source_res_endf = pkg_resources.files("pleiades").joinpath("../../nucDataLibs/resonanceTables/res_endf8.endf")
         # Copy the res_endf8.endf file to the endf directory
         shutil.copy(source_res_endf, destination_res_endf)
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Copied {source_res_endf} to {destination_res_endf}"
-            )
+            print(f"{print_header_check} Copied {source_res_endf} to {destination_res_endf}")
     else:
         if verbose_level > 0:
-            print(
-                f"{print_header_check} res_endf8.endf file already exists at {destination_res_endf}\n"
-            )
+            print(f"{print_header_check} res_endf8.endf file already exists at {destination_res_endf}\n")
 
     # Loop through the isotope list:
     #   1. Create a SAMMY input, data, and params file,
@@ -134,53 +120,37 @@ def create_parFile_from_endf(
         if not os.path.exists(isotope_dir_path):
             os.makedirs(isotope_dir_path)
             if verbose_level > 0:
-                print(
-                    f"{print_header_check} Isotope directory created at {isotope_dir_path}"
-                )
+                print(f"{print_header_check} Isotope directory created at {isotope_dir_path}")
         else:
             if verbose_level > 0:
-                print(
-                    f"{print_header_check} Isotope directory at {isotope_dir_path} already exists"
-                )
+                print(f"{print_header_check} Isotope directory at {isotope_dir_path} already exists")
 
             # Check to see if the par file already exists in the isotope directory
             par_file = fit_results_dir / Path("SAMNDF.PAR")
             if os.path.exists(par_file):
                 if verbose_level > 0:
-                    print(
-                        f"{print_header_check} SAMMY parFile already exists at {par_file}"
-                    )
-                    print(
-                        f"{print_header_check} Skipping SAMMY ENDF run for isotope: {isotope}"
-                    )
+                    print(f"{print_header_check} SAMMY parFile already exists at {par_file}")
+                    print(f"{print_header_check} Skipping SAMMY ENDF run for isotope: {isotope}")
                 continue
             else:
                 if verbose_level > 0:
-                    print(
-                        f"{print_header_check} A SAMMY parFile does not exist at {par_file}"
-                    )
+                    print(f"{print_header_check} A SAMMY parFile does not exist at {par_file}")
 
         # Print a header if verbose_level > 0
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Now Creating SAMMY input.inp and params.par for isotope: {isotope}"
-            )
+            print(f"{print_header_check} Now Creating SAMMY input.inp and params.par for isotope: {isotope}")
 
         # Create and update SAMMY input file data structure
         inp = sammyInput.InputFile()
         inp.update_with_config(config, isotope=isotope, for_endf=True)
 
         # Create a SAMMY input file in the isotope directory
-        sammy_input_file = (
-            isotope_dir_path / (config.params["filenames"]["input_file_name"])
-        )
+        sammy_input_file = isotope_dir_path / (config.params["filenames"]["input_file_name"])
 
         # Write the SAMMY input file to the specified location.
         inp.process().write(sammy_input_file)
         if verbose_level > 0:
-            print(
-                f"{print_header_check} SAMMY input file created at {sammy_input_file}"
-            )
+            print(f"{print_header_check} SAMMY input file created at {sammy_input_file}")
 
         # Print the input data structure if desired
         if verbose_level > 1:
@@ -192,9 +162,7 @@ def create_parFile_from_endf(
         data_file = isotope_dir_path / ("data.twenty")
 
         # Determine the number of points (at least 100) and create a list of energies
-        energy_values = np.linspace(
-            config.params["fit_energy_max"], config.params["fit_energy_min"], 100
-        )
+        energy_values = np.linspace(config.params["fit_energy_max"], config.params["fit_energy_min"], 100)
 
         # Open the data file and write the energy, transmission, and error values
         # Note: this is the twenty character format that SAMMY expects with the TWENTY command
@@ -206,9 +174,7 @@ def create_parFile_from_endf(
                 fid.write(f"{energy:>20.8f}{transmission:>20.8f}{error:>20.8f}\n")
 
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Created an ENDF dummy data file at {data_file}"
-            )
+            print(f"{print_header_check} Created an ENDF dummy data file at {data_file}")
 
         # Creating a par file based on ENDF file
         endf_res_file_name = "res_endf8.endf"
@@ -230,21 +196,15 @@ def create_parFile_from_endf(
         isotope_run_config = sammyRunConfig()
 
         # configure run_config for an ENDF SAMMY run
-        isotope_run_config.params["sammy_run_method"] = config.params[
-            "sammy_run_method"
-        ]
+        isotope_run_config.params["sammy_run_method"] = config.params["sammy_run_method"]
         isotope_run_config.params["sammy_command"] = config.params["sammy_command"]
         isotope_run_config.params["sammy_fit_name"] = isotope
         isotope_run_config.params["run_endf_for_par"] = True
-        isotope_run_config.params["directories"]["sammy_fit_dir"] = str(
-            isotope_dir_path
-        )
+        isotope_run_config.params["directories"]["sammy_fit_dir"] = str(isotope_dir_path)
         isotope_run_config.params["directories"]["input_dir"] = str(isotope_dir_path)
         isotope_run_config.params["directories"]["params_dir"] = str(endf_dir_path)
         isotope_run_config.params["directories"]["data_dir"] = str(isotope_dir_path)
-        isotope_run_config.params["filenames"]["params_file_name"] = str(
-            endf_res_file_name
-        )
+        isotope_run_config.params["filenames"]["params_file_name"] = str(endf_res_file_name)
 
         sammyRunner.run_sammy_fit(isotope_run_config, verbose_level=verbose_level)
 
@@ -290,9 +250,7 @@ def configure_sammy_run(config: SammyFitConfig, verbose_level: int = 0):
 
         # Create a SAMMY parFile for each isotope
         if verbose_level > 0:
-            print(
-                f"\n{print_header_check} Merging SAMMY parameter files for isotopes: {isotopes}, with abundances: {abundances}"
-            )
+            print(f"\n{print_header_check} Merging SAMMY parameter files for isotopes: {isotopes}, with abundances: {abundances}")
 
         # TODO: This assumes that parfiles were created via ENDF data. This might not always be the case.
         # I think I can use the run_with_endf flag to determine if the par file was created with ENDF data
@@ -333,24 +291,12 @@ def configure_sammy_run(config: SammyFitConfig, verbose_level: int = 0):
             "flight_path_spread": config.params["broadening"]["flight_path_spread"],
             "deltag_fwhm": config.params["broadening"]["deltag_fwhm"],
             "deltae_us": config.params["broadening"]["deltae_us"],
-            "vary_match_radius": int(
-                config.params["broadening"]["vary_match_radius"] is True
-            ),
-            "vary_thickness": int(
-                config.params["broadening"]["vary_thickness"] is True
-            ),
-            "vary_temperature": int(
-                config.params["broadening"]["vary_temperature"] is True
-            ),
-            "vary_flight_path_spread": int(
-                config.params["broadening"]["vary_flight_path_spread"] is True
-            ),
-            "vary_deltag_fwhm": int(
-                config.params["broadening"]["vary_deltag_fwhm"] is True
-            ),
-            "vary_deltae_us": int(
-                config.params["broadening"]["vary_deltae_us"] is True
-            ),
+            "vary_match_radius": int(config.params["broadening"]["vary_match_radius"] is True),
+            "vary_thickness": int(config.params["broadening"]["vary_thickness"] is True),
+            "vary_temperature": int(config.params["broadening"]["vary_temperature"] is True),
+            "vary_flight_path_spread": int(config.params["broadening"]["vary_flight_path_spread"] is True),
+            "vary_deltag_fwhm": int(config.params["broadening"]["vary_deltag_fwhm"] is True),
+            "vary_deltae_us": int(config.params["broadening"]["vary_deltae_us"] is True),
         }
         outputParFile.update.broadening(**broadening_args)
 
@@ -362,24 +308,12 @@ def configure_sammy_run(config: SammyFitConfig, verbose_level: int = 0):
             "sqrt_energy_bg": float(config.params["normalization"]["sqrt_energy_bg"]),
             "exponential_bg": float(config.params["normalization"]["exponential_bg"]),
             "exp_decay_bg": float(config.params["normalization"]["exp_decay_bg"]),
-            "vary_normalization": int(
-                config.params["normalization"]["vary_normalization"] is True
-            ),
-            "vary_constant_bg": int(
-                config.params["normalization"]["vary_constant_bg"] is True
-            ),
-            "vary_one_over_v_bg": int(
-                config.params["normalization"]["vary_one_over_v_bg"] is True
-            ),
-            "vary_sqrt_energy_bg": int(
-                config.params["normalization"]["vary_sqrt_energy_bg"] is True
-            ),
-            "vary_exponential_bg": int(
-                config.params["normalization"]["vary_exponential_bg"] is True
-            ),
-            "vary_exp_decay_bg": int(
-                config.params["normalization"]["vary_exp_decay_bg"] is True
-            ),
+            "vary_normalization": int(config.params["normalization"]["vary_normalization"] is True),
+            "vary_constant_bg": int(config.params["normalization"]["vary_constant_bg"] is True),
+            "vary_one_over_v_bg": int(config.params["normalization"]["vary_one_over_v_bg"] is True),
+            "vary_sqrt_energy_bg": int(config.params["normalization"]["vary_sqrt_energy_bg"] is True),
+            "vary_exponential_bg": int(config.params["normalization"]["vary_exponential_bg"] is True),
+            "vary_exp_decay_bg": int(config.params["normalization"]["vary_exp_decay_bg"] is True),
         }
         outputParFile.update.normalization(**normalization_args)
 
@@ -391,17 +325,13 @@ def configure_sammy_run(config: SammyFitConfig, verbose_level: int = 0):
 
         # Now create a SAMMY input file
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Creating SAMMY inpFile files for isotopes: {isotopes} with abundances: {abundances}"
-            )
+            print(f"{print_header_check} Creating SAMMY inpFile files for isotopes: {isotopes} with abundances: {abundances}")
 
         # Create an inpFile from
         inp = sammyInput.InputFile(verbose_level=verbose_level)
 
         # find the lowest atomic number isotope and set it as the element
-        lowest_atomic_isotope = min(
-            isotopes, key=lambda isotope: nucData.get_mass_from_ame(isotope)
-        )
+        lowest_atomic_isotope = min(isotopes, key=lambda isotope: nucData.get_mass_from_ame(isotope))
 
         # Update input data with isotope-specific information
         inp.data["Card2"]["elmnt"] = lowest_atomic_isotope
@@ -430,27 +360,21 @@ def configure_sammy_run(config: SammyFitConfig, verbose_level: int = 0):
         # Write the SAMMY input file to the specified location.
         inp.process().write(output_inp_file)
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Created compound input file: {output_inp_file}"
-            )
+            print(f"{print_header_check} Created compound input file: {output_inp_file}")
 
         # Create a symbolic link inside the sammy_fit_dir that points to the data file
         data_file = os.path.join(data_dir, config.params["filenames"]["data_file_name"])
         data_file_name = pathlib.Path(data_file).name
 
         if verbose_level > 0:
-            print(
-                f"{print_header_check} Symlinking data file: {data_file} into {sammy_fit_dir}"
-            )
+            print(f"{print_header_check} Symlinking data file: {data_file} into {sammy_fit_dir}")
 
         # Check if the symbolic link already exists
         symlink_path = pathlib.Path(sammy_fit_dir) / data_file_name
         if os.path.islink(symlink_path):
             os.unlink(symlink_path)  # unlink old symlink
 
-        os.symlink(
-            data_file, pathlib.Path(sammy_fit_dir) / data_file_name
-        )  # create new symlink
+        os.symlink(data_file, pathlib.Path(sammy_fit_dir) / data_file_name)  # create new symlink
 
         # Create a sammy run configuration object
         sammy_run_config = sammyRunConfig()
@@ -459,27 +383,13 @@ def configure_sammy_run(config: SammyFitConfig, verbose_level: int = 0):
         sammy_run_config.params["sammy_run_method"] = config.params["sammy_run_method"]
         sammy_run_config.params["sammy_command"] = config.params["sammy_command"]
         sammy_run_config.params["run_endf_for_par"] = False
-        sammy_run_config.params["directories"]["sammy_fit_dir"] = config.params[
-            "directories"
-        ]["sammy_fit_dir"]
-        sammy_run_config.params["directories"]["input_dir"] = config.params[
-            "directories"
-        ]["sammy_fit_dir"]
-        sammy_run_config.params["directories"]["params_dir"] = config.params[
-            "directories"
-        ]["sammy_fit_dir"]
-        sammy_run_config.params["directories"]["data_dir"] = config.params[
-            "directories"
-        ]["data_dir"]
-        sammy_run_config.params["filenames"]["params_file_name"] = config.params[
-            "filenames"
-        ]["params_file_name"]
-        sammy_run_config.params["filenames"]["input_file_name"] = config.params[
-            "filenames"
-        ]["input_file_name"]
-        sammy_run_config.params["filenames"]["data_file_name"] = config.params[
-            "filenames"
-        ]["data_file_name"]
+        sammy_run_config.params["directories"]["sammy_fit_dir"] = config.params["directories"]["sammy_fit_dir"]
+        sammy_run_config.params["directories"]["input_dir"] = config.params["directories"]["sammy_fit_dir"]
+        sammy_run_config.params["directories"]["params_dir"] = config.params["directories"]["sammy_fit_dir"]
+        sammy_run_config.params["directories"]["data_dir"] = config.params["directories"]["data_dir"]
+        sammy_run_config.params["filenames"]["params_file_name"] = config.params["filenames"]["params_file_name"]
+        sammy_run_config.params["filenames"]["input_file_name"] = config.params["filenames"]["input_file_name"]
+        sammy_run_config.params["filenames"]["data_file_name"] = config.params["filenames"]["data_file_name"]
 
         return sammy_run_config
 
diff --git a/src/pleiades/simData.py b/legacy/pleiades_old/simData.py
similarity index 81%
rename from src/pleiades/simData.py
rename to legacy/pleiades_old/simData.py
index 9d3f973..19a4601 100644
--- a/src/pleiades/simData.py
+++ b/legacy/pleiades_old/simData.py
@@ -1,8 +1,10 @@
 import configparser
+import json
+
 import numpy as np
 from scipy.interpolate import interp1d
+
 import pleiades.nucData as pnd
-import json
 
 AVOGADRO = 6.02214076e23  # Avogadro's number
 CM2_TO_BARN = 1e24  # Conversion factor from cm2 to barns
@@ -34,9 +36,7 @@ def create_transmission(energy_grid, isotope):
         if thickness_unit == "mm":
             thickness /= 10.0
         else:
-            raise ValueError(
-                "Unsupported thickness unit: {thickness_unit} for {isotope_name}"
-            )
+            raise ValueError("Unsupported thickness unit: {thickness_unit} for {isotope_name}")
     if density_unit != "g/cm3":
         raise ValueError("Unsupported density unit:{density_unit} for {isotope_name}")
 
@@ -45,9 +45,7 @@ def create_transmission(energy_grid, isotope):
 
     # Create interpolation function for cross-section data
     energies_eV, cross_sections = zip(*xs_data)
-    interpolate_xs_data = interp1d(
-        energies_eV, cross_sections, kind="linear", fill_value="extrapolate"
-    )
+    interpolate_xs_data = interp1d(energies_eV, cross_sections, kind="linear", fill_value="extrapolate")
 
     # create a list of tuples containing the energy and transmission data
     transmission = []
@@ -108,17 +106,11 @@ def parse_xs_file(file_location, isotope_name, verbose_level=0):
                 # If capture_data is True and the line doesn't start with a '#', then it's the data
                 elif capture_data and not line.startswith("#"):
                     energy_eV, xs = line.split()
-                    xs_data.append(
-                        (float(energy_eV) * 1e6, float(xs))
-                    )  # Convert energy from MeV to eV
+                    xs_data.append((float(energy_eV) * 1e6, float(xs)))  # Convert energy from MeV to eV
 
     # If the loop completes and the isotope was not found
     if not isotope_xs_found:
-        raise ValueError(
-            "Cross-section data for {isotope_name} not found in {file_location}".format(
-                isotope_name=isotope_name, file_location=file_location
-            )
-        )
+        raise ValueError(f"Cross-section data for {isotope_name} not found in {file_location}")
 
     return xs_data
 
@@ -153,16 +145,10 @@ def load_xs_data(self, verbose_level=0):
             print(f"[load_xs_data] -> loading xs file for {self.name}")
         self.xs_data = parse_xs_file(self.xs_file_location, self.name, verbose_level=0)
         if not self.xs_data:
-            raise ValueError(
-                f"No data loaded for {self.name} from {self.xs_file_location}"
-            )
+            raise ValueError(f"No data loaded for {self.name} from {self.xs_file_location}")
 
     def __repr__(self):
-        xs_status = (
-            "XS data loaded successfully"
-            if len(self.xs_data) != 0
-            else "XS data not loaded"
-        )
+        xs_status = "XS data loaded successfully" if len(self.xs_data) != 0 else "XS data not loaded"
         return f"Isotope({self.name},{self.atomic_mass},{self.thickness} {self.thickness_unit}, {self.abundance}, {self.xs_file_location}, {self.density} {self.density_unit}, {xs_status})"
 
 
@@ -197,22 +183,12 @@ def load_isotopes_from_config(config_file, verbose=False):
         atomic_mass = pnd.get_mass_from_ame(name)
         if atomic_mass is None:
             raise ValueError(f"Could not find atomic mass for {name}")
-        thickness = config.getfloat(
-            section, "thickness", fallback=default_isotope.thickness
-        )
-        thickness_unit = config.get(
-            section, "thickness_unit", fallback=default_isotope.thickness_unit
-        )
-        abundance = config.getfloat(
-            section, "abundance", fallback=default_isotope.abundance
-        )
-        xs_file_location = config.get(
-            section, "xs_file_location", fallback=default_isotope.xs_file_location
-        )
+        thickness = config.getfloat(section, "thickness", fallback=default_isotope.thickness)
+        thickness_unit = config.get(section, "thickness_unit", fallback=default_isotope.thickness_unit)
+        abundance = config.getfloat(section, "abundance", fallback=default_isotope.abundance)
+        xs_file_location = config.get(section, "xs_file_location", fallback=default_isotope.xs_file_location)
         density = config.getfloat(section, "density", fallback=default_isotope.density)
-        density_unit = config.get(
-            section, "density_unit", fallback=default_isotope.density_unit
-        )
+        density_unit = config.get(section, "density_unit", fallback=default_isotope.density_unit)
 
         # Create an Isotope instance and load the xs data
         isotope = Isotope(
@@ -233,9 +209,7 @@ def load_isotopes_from_config(config_file, verbose=False):
     return isotopes
 
 
-def write_transmission_data_twenty(
-    energy_data, transmission_data, output_file, include_error=False, verbose=False
-):
+def write_transmission_data_twenty(energy_data, transmission_data, output_file, include_error=False, verbose=False):
     """Write the transmission data to a file in the format: energy (eV), transmission (0-1) with SAMMY's twenty character format.
 
     Args:
@@ -256,16 +230,12 @@ def write_transmission_data_twenty(
 
             energy_str = f"{energy:>20}"  # Right-justified, 20 characters
             transmission_str = f"{transmission:>20}"  # Right-justified, 20 characters
-            transmission_error_str = (
-                f"{transmission_error:>20}"  # Right-justified, 20 characters
-            )
+            transmission_error_str = f"{transmission_error:>20}"  # Right-justified, 20 characters
 
             if include_error:
                 f.write(f"{energy_str}{transmission_str}{transmission_error_str}\n")
             else:
-                f.write(
-                    f"{energy_str}{transmission_str}\n"
-                )  # Write the data to the file
+                f.write(f"{energy_str}{transmission_str}\n")  # Write the data to the file
 
 
 def write_transmission_data_json(
@@ -296,14 +266,8 @@ def write_transmission_data_json(
     """
 
     # Check if transmission data contains numpy arrays and convert them to lists
-    energy_data = [
-        item[0].tolist() if isinstance(item[0], np.ndarray) else item[0]
-        for item in transmission_data
-    ]
-    transmission_data = [
-        item[1].tolist() if isinstance(item[1], np.ndarray) else item[1]
-        for item in transmission_data
-    ]
+    energy_data = [item[0].tolist() if isinstance(item[0], np.ndarray) else item[0] for item in transmission_data]
+    transmission_data = [item[1].tolist() if isinstance(item[1], np.ndarray) else item[1] for item in transmission_data]
 
     # Create the dictionary structure for JSON
     data_structure = {
diff --git a/tests/test_nucData.py b/legacy/tests/test_nucData.py
similarity index 94%
rename from tests/test_nucData.py
rename to legacy/tests/test_nucData.py
index 31d8c08..464809b 100644
--- a/tests/test_nucData.py
+++ b/legacy/tests/test_nucData.py
@@ -1,8 +1,10 @@
+import logging
 import os
-from pleiades import nucData
 import pathlib
+
 import pytest
-import logging
+
+from pleiades import nucData
 
 ## Configure logging for the test
 # Set file name
@@ -102,7 +104,9 @@ def test_parse_ame_line():
     logger.info(logger_header_break)
     logger.info("Testing parsing a line from the AME file")
 
-    line = "   0    6    6   12 C             0.0         0.0        7680.1446     0.0002  B- -17338.0681     0.9999   12 000000.0         0.0"
+    line = (
+        "   0    6    6   12 C             0.0         0.0        7680.1446     0.0002  B- -17338.0681     0.9999   12 000000.0         0.0"
+    )
     parsed_data = nucData.parse_ame_line(line)
 
     logger.info(f"Parsed Data: {parsed_data}")
@@ -155,9 +159,7 @@ def test_get_mass_from_ame(ame_file, monkeypatch):
     logger.info("Testing fetching the atomic mass from mass.mas20")
 
     # Use monkeypatch to override the pleiades_dir path for nucData
-    monkeypatch.setattr(
-        nucData, "pleiades_dir", pathlib.Path(ame_file).parent.parent.parent
-    )
+    monkeypatch.setattr(nucData, "pleiades_dir", pathlib.Path(ame_file).parent.parent.parent)
 
     # Test for a few isotopes
     isotope = "H-1"
@@ -195,9 +197,7 @@ def test_get_mat_number(neutron_file, monkeypatch):
     logger.info("Testing fetching the ENDF mat number from neutrons.list")
 
     # Use monkeypatch to override the pleiades_dir path for nucData
-    monkeypatch.setattr(
-        nucData, "pleiades_dir", pathlib.Path(neutron_file).parent.parent.parent
-    )  # Points to root directory
+    monkeypatch.setattr(nucData, "pleiades_dir", pathlib.Path(neutron_file).parent.parent.parent)  # Points to root directory
 
     # Test with known isotopes
     isotope = "Fe-56"
diff --git a/tests/test_sammyInput.py b/legacy/tests/test_sammyInput.py
similarity index 93%
rename from tests/test_sammyInput.py
rename to legacy/tests/test_sammyInput.py
index cd9a987..0e3aa8a 100644
--- a/tests/test_sammyInput.py
+++ b/legacy/tests/test_sammyInput.py
@@ -1,9 +1,10 @@
+import logging
+import os
+
 import pytest
+
 from pleiades import sammyInput
 from pleiades.sammyStructures import SammyFitConfig
-import os
-import logging
-
 
 ## Configure logging for the test
 # Set file name
@@ -65,13 +66,9 @@ def test_update_with_config(input_file):
 
     config = SammyFitConfig()
     config.params["isotopes"] = {"names": ["U-235", "U-238"]}
-    logger.info(
-        f"Config loaded successfully with isotopes: {config.params['isotopes']['names']}"
-    )
+    logger.info(f"Config loaded successfully with isotopes: {config.params['isotopes']['names']}")
     input_file.update_with_config(config)
-    assert (
-        input_file.data["Card2"]["elmnt"] == "U-235"
-    )  # Selects isotope with lowest mass
+    assert input_file.data["Card2"]["elmnt"] == "U-235"  # Selects isotope with lowest mass
     assert input_file.data["Card2"]["aw"] == "auto"  # Atomic weight should be auto
 
     logger.info("InputFile updated successfully")
@@ -127,9 +124,7 @@ def test_format_type_F():
 
     formatted_float = sammyInput.InputFile.format_type_F(1.2345, 10)
 
-    assert (
-        len(formatted_float) == 10
-    )  # Ensure the formatted string is 10 characters wide
+    assert len(formatted_float) == 10  # Ensure the formatted string is 10 characters wide
     assert formatted_float.strip() == "1.2345"  # Check that the float part is correct
 
     logger.info("format_type_F method tested successfully")
diff --git a/tests/test_sammyRunner.py b/legacy/tests/test_sammyRunner.py
similarity index 93%
rename from tests/test_sammyRunner.py
rename to legacy/tests/test_sammyRunner.py
index d63a53c..1bdaa6d 100644
--- a/tests/test_sammyRunner.py
+++ b/legacy/tests/test_sammyRunner.py
@@ -1,7 +1,9 @@
+import logging
 import os
-from pleiades import sammyUtils, sammyRunner
+
 import pytest
-import logging
+
+from pleiades import sammyRunner, sammyUtils
 
 # Configure logging for the test
 log_file = "test_sammyRunner.log"
@@ -47,9 +49,7 @@ def test_check_sammy_environment(default_config):
     logger.info(logger_header_break)
     logger.info("Checking if SAMMY environment exists")
 
-    sammy_compiled_exists, sammy_docker_exists = sammyRunner.check_sammy_environment(
-        default_config
-    )
+    sammy_compiled_exists, sammy_docker_exists = sammyRunner.check_sammy_environment(default_config)
 
     logger.info(logger_footer_break)
 
@@ -60,9 +60,7 @@ def test_set_sammy_call_method(default_config):
     # Test the set_sammy_call_method() function
     logger.info(logger_header_break)
     logger.info("Testing the set_sammy_call_method() function")
-    sammy_call, sammy_command = sammyRunner.set_sammy_call_method(
-        docker_image_name="sammy-docker", verbose_level=1
-    )
+    sammy_call, sammy_command = sammyRunner.set_sammy_call_method(docker_image_name="sammy-docker", verbose_level=1)
     logger.info(f"Sammy call: {sammy_call}")
     logger.info(f"Sammy command: {sammy_command}")
 
diff --git a/tests/test_sammyUtils.py b/legacy/tests/test_sammyUtils.py
similarity index 81%
rename from tests/test_sammyUtils.py
rename to legacy/tests/test_sammyUtils.py
index 9dc8c5d..b2b2509 100644
--- a/tests/test_sammyUtils.py
+++ b/legacy/tests/test_sammyUtils.py
@@ -1,8 +1,10 @@
+import logging
 import os
-from pleiades import sammyUtils, sammyRunner
 import pathlib
+
 import pytest
-import logging
+
+from pleiades import sammyRunner, sammyUtils
 
 ## Configure logging for the test
 # Set file name
@@ -45,9 +47,7 @@ def default_config(tmpdir):
     config.params["directories"]["working_dir"] = str(tmpdir.mkdir("working_dir"))
 
     # Set paths for subdirectories endf and data
-    config.params["directories"]["endf_dir"] = str(
-        pathlib.Path(config.params["directories"]["working_dir"]) / "endf"
-    )
+    config.params["directories"]["endf_dir"] = str(pathlib.Path(config.params["directories"]["working_dir"]) / "endf")
 
     return config
 
@@ -56,9 +56,7 @@ def test_sammyUtils_sammy_config(default_config):
     """Test the sammyUtils.SammyFitConfig class by loading the default config."""
     logger.info(logger_header_break)
     logger.info("Checking if default config is a SammyFitConfig object")
-    logger.info(
-        f"Temp working directory created at {default_config.params['directories']['working_dir']}"
-    )
+    logger.info(f"Temp working directory created at {default_config.params['directories']['working_dir']}")
 
     # Check if default_config is a SammyFitConfig object
     assert isinstance(default_config, sammyUtils.SammyFitConfig)
@@ -71,14 +69,10 @@ def test_set_sammy_call_method(default_config):
     """Test the set_sammy_call_method() function to determine the SAMMY run method."""
     logger.info(logger_header_break)
     logger.info("Testing the set_sammy_call_method() function")
-    logger.info(
-        f"Temp working directory created at {default_config.params['directories']['working_dir']}"
-    )
+    logger.info(f"Temp working directory created at {default_config.params['directories']['working_dir']}")
 
     # Test the set_sammy_call_method() function
-    sammy_call, sammy_command = sammyRunner.set_sammy_call_method(
-        docker_image_name="sammy-docker", verbose_level=1
-    )
+    sammy_call, sammy_command = sammyRunner.set_sammy_call_method(docker_image_name="sammy-docker", verbose_level=1)
 
     logger.info(f"Sammy call: {sammy_call}")
     logger.info(f"Sammy command: {sammy_command}")
@@ -97,17 +91,11 @@ def test_create_parFile_from_endf(default_config):
     """Test the creation of a parFile from an ENDF file."""
     logger.info(logger_header_break)
     test_isotope = "U-238"
-    logger.info(
-        f"Testing the creation of a parFile from an ENDF file for with test isotope: {test_isotope}"
-    )
-    logger.info(
-        f"Temp working directory created at {default_config.params['directories']['working_dir']}"
-    )
+    logger.info(f"Testing the creation of a parFile from an ENDF file for with test isotope: {test_isotope}")
+    logger.info(f"Temp working directory created at {default_config.params['directories']['working_dir']}")
 
     # Grab the sammy_call and sammy_command from the sammyRunner.set_sammy_call_method() function
-    sammy_call, sammy_command = sammyRunner.set_sammy_call_method(
-        docker_image_name="sammy-docker", verbose_level=1
-    )
+    sammy_call, sammy_command = sammyRunner.set_sammy_call_method(docker_image_name="sammy-docker", verbose_level=1)
 
     # Update the default config with a U-238 isotope
     logger.info("Updating default config with U-238 isotope")
@@ -132,15 +120,11 @@ def test_create_parFile_from_endf(default_config):
     assert isotope_dir_path.exists()
 
     # Check if the parFile was created
-    logger.info(
-        f"Checking if SAMNDF.PAR parFile was created at {isotope_dir_path / 'results'}"
-    )
+    logger.info(f"Checking if SAMNDF.PAR parFile was created at {isotope_dir_path / 'results'}")
 
     parFile_path = pathlib.Path(isotope_dir_path / "results" / "SAMNDF.PAR")
     assert parFile_path.exists()
-    logger.info(
-        f"SAMNDF.PAR parFile created successfully at {isotope_dir_path / 'results'}"
-    )
+    logger.info(f"SAMNDF.PAR parFile created successfully at {isotope_dir_path / 'results'}")
 
     logger.info(logger_footer_break)
 
diff --git a/poetry.lock b/poetry.lock
index 6302e0c..941436f 100644
--- a/poetry.lock
+++ b/poetry.lock
@@ -1,25 +1,169 @@
-# This file is automatically @generated by Poetry 1.8.4 and should not be changed by hand.
+# This file is automatically @generated by Poetry 2.0.1 and should not be changed by hand.
+
+[[package]]
+name = "aiohappyeyeballs"
+version = "2.4.4"
+description = "Happy Eyeballs for asyncio"
+optional = false
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
+    {file = "aiohappyeyeballs-2.4.4-py3-none-any.whl", hash = "sha256:a980909d50efcd44795c4afeca523296716d50cd756ddca6af8c65b996e27de8"},
+    {file = "aiohappyeyeballs-2.4.4.tar.gz", hash = "sha256:5fdd7d87889c63183afc18ce9271f9b0a7d32c2303e394468dd45d514a757745"},
+]
+
+[[package]]
+name = "aiohttp"
+version = "3.11.11"
+description = "Async http client/server framework (asyncio)"
+optional = false
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
+    {file = "aiohttp-3.11.11-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:a60804bff28662cbcf340a4d61598891f12eea3a66af48ecfdc975ceec21e3c8"},
+    {file = "aiohttp-3.11.11-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:4b4fa1cb5f270fb3eab079536b764ad740bb749ce69a94d4ec30ceee1b5940d5"},
+    {file = "aiohttp-3.11.11-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:731468f555656767cda219ab42e033355fe48c85fbe3ba83a349631541715ba2"},
+    {file = "aiohttp-3.11.11-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:cb23d8bb86282b342481cad4370ea0853a39e4a32a0042bb52ca6bdde132df43"},
+    {file = "aiohttp-3.11.11-cp310-cp310-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl", hash = "sha256:f047569d655f81cb70ea5be942ee5d4421b6219c3f05d131f64088c73bb0917f"},
+    {file = "aiohttp-3.11.11-cp310-cp310-manylinux_2_17_s390x.manylinux2014_s390x.whl", hash = "sha256:dd7659baae9ccf94ae5fe8bfaa2c7bc2e94d24611528395ce88d009107e00c6d"},
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+propcache = ">=0.2.0"
+yarl = ">=1.17.0,<2.0"
+
+[package.extras]
+speedups = ["Brotli", "aiodns (>=3.2.0)", "brotlicffi"]
+
+[[package]]
+name = "aiosignal"
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+description = "aiosignal: a list of registered asynchronous callbacks"
+optional = false
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
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+
+[[package]]
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+description = "Reusable constraint types to use with typing.Annotated"
+optional = false
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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 [[package]]
 name = "anyio"
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+version = "4.7.0"
 description = "High level compatibility layer for multiple asynchronous event loop implementations"
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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 ]
 
 [package.dependencies]
 exceptiongroup = {version = ">=1.0.2", markers = "python_version < \"3.11\""}
 idna = ">=2.8"
 sniffio = ">=1.1"
-typing-extensions = {version = ">=4.1", markers = "python_version < \"3.11\""}
+typing_extensions = {version = ">=4.5", markers = "python_version < \"3.13\""}
 
 [package.extras]
-doc = ["Sphinx (>=7.4,<8.0)", "packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx-rtd-theme"]
-test = ["anyio[trio]", "coverage[toml] (>=7)", "exceptiongroup (>=1.2.0)", "hypothesis (>=4.0)", "psutil (>=5.9)", "pytest (>=7.0)", "pytest-mock (>=3.6.1)", "trustme", "truststore (>=0.9.1)", "uvloop (>=0.21.0b1)"]
+doc = ["Sphinx (>=7.4,<8.0)", "packaging", "sphinx-autodoc-typehints (>=1.2.0)", "sphinx_rtd_theme"]
+test = ["anyio[trio]", "coverage[toml] (>=7)", "exceptiongroup (>=1.2.0)", "hypothesis (>=4.0)", "psutil (>=5.9)", "pytest (>=7.0)", "pytest-mock (>=3.6.1)", "trustme", "truststore (>=0.9.1)", "uvloop (>=0.21)"]
 trio = ["trio (>=0.26.1)"]
 
 [[package]]
@@ -28,6 +172,8 @@ version = "0.1.4"
 description = "Disable App Nap on macOS >= 10.9"
 optional = false
 python-versions = ">=3.6"
+groups = ["main"]
+markers = "python_version <= \"3.11\" and platform_system == \"Darwin\" or python_version >= \"3.12\" and platform_system == \"Darwin\""
 files = [
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@@ -39,6 +185,8 @@ version = "23.1.0"
 description = "Argon2 for Python"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "argon2_cffi-23.1.0-py3-none-any.whl", hash = "sha256:c670642b78ba29641818ab2e68bd4e6a78ba53b7eff7b4c3815ae16abf91c7ea"},
     {file = "argon2_cffi-23.1.0.tar.gz", hash = "sha256:879c3e79a2729ce768ebb7d36d4609e3a78a4ca2ec3a9f12286ca057e3d0db08"},
@@ -59,6 +207,8 @@ version = "21.2.0"
 description = "Low-level CFFI bindings for Argon2"
 optional = false
 python-versions = ">=3.6"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "argon2-cffi-bindings-21.2.0.tar.gz", hash = "sha256:bb89ceffa6c791807d1305ceb77dbfacc5aa499891d2c55661c6459651fc39e3"},
     {file = "argon2_cffi_bindings-21.2.0-cp36-abi3-macosx_10_9_x86_64.whl", hash = "sha256:ccb949252cb2ab3a08c02024acb77cfb179492d5701c7cbdbfd776124d4d2367"},
@@ -96,6 +246,8 @@ version = "1.3.0"
 description = "Better dates & times for Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "arrow-1.3.0-py3-none-any.whl", hash = "sha256:c728b120ebc00eb84e01882a6f5e7927a53960aa990ce7dd2b10f39005a67f80"},
     {file = "arrow-1.3.0.tar.gz", hash = "sha256:d4540617648cb5f895730f1ad8c82a65f2dad0166f57b75f3ca54759c4d67a85"},
@@ -111,21 +263,20 @@ test = ["dateparser (==1.*)", "pre-commit", "pytest", "pytest-cov", "pytest-mock
 
 [[package]]
 name = "asttokens"
-version = "2.4.1"
+version = "3.0.0"
 description = "Annotate AST trees with source code positions"
 optional = false
-python-versions = "*"
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "asttokens-2.4.1-py2.py3-none-any.whl", hash = "sha256:051ed49c3dcae8913ea7cd08e46a606dba30b79993209636c4875bc1d637bc24"},
-    {file = "asttokens-2.4.1.tar.gz", hash = "sha256:b03869718ba9a6eb027e134bfdf69f38a236d681c83c160d510768af11254ba0"},
+    {file = "asttokens-3.0.0-py3-none-any.whl", hash = "sha256:e3078351a059199dd5138cb1c706e6430c05eff2ff136af5eb4790f9d28932e2"},
+    {file = "asttokens-3.0.0.tar.gz", hash = "sha256:0dcd8baa8d62b0c1d118b399b2ddba3c4aff271d0d7a9e0d4c1681c79035bbc7"},
 ]
 
-[package.dependencies]
-six = ">=1.12.0"
-
 [package.extras]
-astroid = ["astroid (>=1,<2)", "astroid (>=2,<4)"]
-test = ["astroid (>=1,<2)", "astroid (>=2,<4)", "pytest"]
+astroid = ["astroid (>=2,<4)"]
+test = ["astroid (>=2,<4)", "pytest", "pytest-cov", "pytest-xdist"]
 
 [[package]]
 name = "async-lru"
@@ -133,6 +284,8 @@ version = "2.0.4"
 description = "Simple LRU cache for asyncio"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "async-lru-2.0.4.tar.gz", hash = "sha256:b8a59a5df60805ff63220b2a0c5b5393da5521b113cd5465a44eb037d81a5627"},
     {file = "async_lru-2.0.4-py3-none-any.whl", hash = "sha256:ff02944ce3c288c5be660c42dbcca0742b32c3b279d6dceda655190240b99224"},
@@ -141,21 +294,36 @@ files = [
 [package.dependencies]
 typing-extensions = {version = ">=4.0.0", markers = "python_version < \"3.11\""}
 
+[[package]]
+name = "async-timeout"
+version = "5.0.1"
+description = "Timeout context manager for asyncio programs"
+optional = false
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version < \"3.11\""
+files = [
+    {file = "async_timeout-5.0.1-py3-none-any.whl", hash = "sha256:39e3809566ff85354557ec2398b55e096c8364bacac9405a7a1fa429e77fe76c"},
+    {file = "async_timeout-5.0.1.tar.gz", hash = "sha256:d9321a7a3d5a6a5e187e824d2fa0793ce379a202935782d555d6e9d2735677d3"},
+]
+
 [[package]]
 name = "attrs"
-version = "24.2.0"
+version = "24.3.0"
 description = "Classes Without Boilerplate"
 optional = false
-python-versions = ">=3.7"
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "attrs-24.2.0-py3-none-any.whl", hash = "sha256:81921eb96de3191c8258c199618104dd27ac608d9366f5e35d011eae1867ede2"},
-    {file = "attrs-24.2.0.tar.gz", hash = "sha256:5cfb1b9148b5b086569baec03f20d7b6bf3bcacc9a42bebf87ffaaca362f6346"},
+    {file = "attrs-24.3.0-py3-none-any.whl", hash = "sha256:ac96cd038792094f438ad1f6ff80837353805ac950cd2aa0e0625ef19850c308"},
+    {file = "attrs-24.3.0.tar.gz", hash = "sha256:8f5c07333d543103541ba7be0e2ce16eeee8130cb0b3f9238ab904ce1e85baff"},
 ]
 
 [package.extras]
 benchmark = ["cloudpickle", "hypothesis", "mypy (>=1.11.1)", "pympler", "pytest (>=4.3.0)", "pytest-codspeed", "pytest-mypy-plugins", "pytest-xdist[psutil]"]
 cov = ["cloudpickle", "coverage[toml] (>=5.3)", "hypothesis", "mypy (>=1.11.1)", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "pytest-xdist[psutil]"]
-dev = ["cloudpickle", "hypothesis", "mypy (>=1.11.1)", "pre-commit", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "pytest-xdist[psutil]"]
+dev = ["cloudpickle", "hypothesis", "mypy (>=1.11.1)", "pre-commit-uv", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "pytest-xdist[psutil]"]
 docs = ["cogapp", "furo", "myst-parser", "sphinx", "sphinx-notfound-page", "sphinxcontrib-towncrier", "towncrier (<24.7)"]
 tests = ["cloudpickle", "hypothesis", "mypy (>=1.11.1)", "pympler", "pytest (>=4.3.0)", "pytest-mypy-plugins", "pytest-xdist[psutil]"]
 tests-mypy = ["mypy (>=1.11.1)", "pytest-mypy-plugins"]
@@ -166,6 +334,8 @@ version = "2.16.0"
 description = "Internationalization utilities"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "babel-2.16.0-py3-none-any.whl", hash = "sha256:368b5b98b37c06b7daf6696391c3240c938b37767d4584413e8438c5c435fa8b"},
     {file = "babel-2.16.0.tar.gz", hash = "sha256:d1f3554ca26605fe173f3de0c65f750f5a42f924499bf134de6423582298e316"},
@@ -180,6 +350,8 @@ version = "4.12.3"
 description = "Screen-scraping library"
 optional = false
 python-versions = ">=3.6.0"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "beautifulsoup4-4.12.3-py3-none-any.whl", hash = "sha256:b80878c9f40111313e55da8ba20bdba06d8fa3969fc68304167741bbf9e082ed"},
     {file = "beautifulsoup4-4.12.3.tar.gz", hash = "sha256:74e3d1928edc070d21748185c46e3fb33490f22f52a3addee9aee0f4f7781051"},
@@ -195,12 +367,35 @@ charset-normalizer = ["charset-normalizer"]
 html5lib = ["html5lib"]
 lxml = ["lxml"]
 
+[[package]]
+name = "bioblend"
+version = "1.4.0"
+description = "Library for interacting with the Galaxy API"
+optional = false
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
+    {file = "bioblend-1.4.0-py3-none-any.whl", hash = "sha256:20886e5f7658e1dc3e025cedb4be88538342374afba583ce4e2acb5c14a25c63"},
+    {file = "bioblend-1.4.0.tar.gz", hash = "sha256:175d49d288e27d132ff59c870551c87cd95d7747be55ab94807c563291a3fa1d"},
+]
+
+[package.dependencies]
+requests = ">=2.20.0"
+requests-toolbelt = ">=0.5.1,<0.9.0 || >0.9.0"
+tuspy = "*"
+
+[package.extras]
+testing = ["pytest"]
+
 [[package]]
 name = "bleach"
 version = "6.2.0"
 description = "An easy safelist-based HTML-sanitizing tool."
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "bleach-6.2.0-py3-none-any.whl", hash = "sha256:117d9c6097a7c3d22fd578fcd8d35ff1e125df6736f554da4e432fdd63f31e5e"},
     {file = "bleach-6.2.0.tar.gz", hash = "sha256:123e894118b8a599fd80d3ec1a6d4cc7ce4e5882b1317a7e1ba69b56e95f991f"},
@@ -214,13 +409,15 @@ css = ["tinycss2 (>=1.1.0,<1.5)"]
 
 [[package]]
 name = "certifi"
-version = "2024.8.30"
+version = "2024.12.14"
 description = "Python package for providing Mozilla's CA Bundle."
 optional = false
 python-versions = ">=3.6"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "certifi-2024.8.30-py3-none-any.whl", hash = "sha256:922820b53db7a7257ffbda3f597266d435245903d80737e34f8a45ff3e3230d8"},
-    {file = "certifi-2024.8.30.tar.gz", hash = "sha256:bec941d2aa8195e248a60b31ff9f0558284cf01a52591ceda73ea9afffd69fd9"},
+    {file = "certifi-2024.12.14-py3-none-any.whl", hash = "sha256:1275f7a45be9464efc1173084eaa30f866fe2e47d389406136d332ed4967ec56"},
+    {file = "certifi-2024.12.14.tar.gz", hash = "sha256:b650d30f370c2b724812bee08008be0c4163b163ddaec3f2546c1caf65f191db"},
 ]
 
 [[package]]
@@ -229,6 +426,8 @@ version = "1.17.1"
 description = "Foreign Function Interface for Python calling C code."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "cffi-1.17.1-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:df8b1c11f177bc2313ec4b2d46baec87a5f3e71fc8b45dab2ee7cae86d9aba14"},
     {file = "cffi-1.17.1-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:8f2cdc858323644ab277e9bb925ad72ae0e67f69e804f4898c070998d50b1a67"},
@@ -308,6 +507,8 @@ version = "3.4.0"
 description = "Validate configuration and produce human readable error messages."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "cfgv-3.4.0-py2.py3-none-any.whl", hash = "sha256:b7265b1f29fd3316bfcd2b330d63d024f2bfd8bcb8b0272f8e19a504856c48f9"},
     {file = "cfgv-3.4.0.tar.gz", hash = "sha256:e52591d4c5f5dead8e0f673fb16db7949d2cfb3f7da4582893288f0ded8fe560"},
@@ -319,6 +520,8 @@ version = "3.4.0"
 description = "The Real First Universal Charset Detector. Open, modern and actively maintained alternative to Chardet."
 optional = false
 python-versions = ">=3.7.0"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "charset_normalizer-3.4.0-cp310-cp310-macosx_10_9_universal2.whl", hash = "sha256:4f9fc98dad6c2eaa32fc3af1417d95b5e3d08aff968df0cd320066def971f9a6"},
     {file = "charset_normalizer-3.4.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:0de7b687289d3c1b3e8660d0741874abe7888100efe14bd0f9fd7141bcbda92b"},
@@ -433,6 +636,8 @@ version = "0.4.6"
 description = "Cross-platform colored terminal text."
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
+groups = ["main", "dev"]
+markers = "python_version <= \"3.11\" and sys_platform == \"win32\" or python_version >= \"3.12\" and sys_platform == \"win32\""
 files = [
     {file = "colorama-0.4.6-py2.py3-none-any.whl", hash = "sha256:4f1d9991f5acc0ca119f9d443620b77f9d6b33703e51011c16baf57afb285fc6"},
     {file = "colorama-0.4.6.tar.gz", hash = "sha256:08695f5cb7ed6e0531a20572697297273c47b8cae5a63ffc6d6ed5c201be6e44"},
@@ -444,6 +649,8 @@ version = "0.2.2"
 description = "Jupyter Python Comm implementation, for usage in ipykernel, xeus-python etc."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "comm-0.2.2-py3-none-any.whl", hash = "sha256:e6fb86cb70ff661ee8c9c14e7d36d6de3b4066f1441be4063df9c5009f0a64d3"},
     {file = "comm-0.2.2.tar.gz", hash = "sha256:3fd7a84065306e07bea1773df6eb8282de51ba82f77c72f9c85716ab11fe980e"},
@@ -461,6 +668,8 @@ version = "1.3.1"
 description = "Python library for calculating contours of 2D quadrilateral grids"
 optional = false
 python-versions = ">=3.10"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "contourpy-1.3.1-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:a045f341a77b77e1c5de31e74e966537bba9f3c4099b35bf4c2e3939dd54cdab"},
     {file = "contourpy-1.3.1-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:500360b77259914f7805af7462e41f9cb7ca92ad38e9f94d6c8641b089338124"},
@@ -528,12 +737,93 @@ mypy = ["contourpy[bokeh,docs]", "docutils-stubs", "mypy (==1.11.1)", "types-Pil
 test = ["Pillow", "contourpy[test-no-images]", "matplotlib"]
 test-no-images = ["pytest", "pytest-cov", "pytest-rerunfailures", "pytest-xdist", "wurlitzer"]
 
+[[package]]
+name = "coverage"
+version = "7.6.9"
+description = "Code coverage measurement for Python"
+optional = false
+python-versions = ">=3.9"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
+    {file = "coverage-7.6.9-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:85d9636f72e8991a1706b2b55b06c27545448baf9f6dbf51c4004609aacd7dcb"},
+    {file = "coverage-7.6.9-cp310-cp310-macosx_11_0_arm64.whl", hash = "sha256:608a7fd78c67bee8936378299a6cb9f5149bb80238c7a566fc3e6717a4e68710"},
+    {file = "coverage-7.6.9-cp310-cp310-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:96d636c77af18b5cb664ddf12dab9b15a0cfe9c0bde715da38698c8cea748bfa"},
+    {file = "coverage-7.6.9-cp310-cp310-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:d75cded8a3cff93da9edc31446872d2997e327921d8eed86641efafd350e1df1"},
+    {file = "coverage-7.6.9-cp310-cp310-manylinux_2_5_x86_64.manylinux1_x86_64.manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:f7b15f589593110ae767ce997775d645b47e5cbbf54fd322f8ebea6277466cec"},
+    {file = "coverage-7.6.9-cp310-cp310-musllinux_1_2_aarch64.whl", hash = "sha256:44349150f6811b44b25574839b39ae35291f6496eb795b7366fef3bd3cf112d3"},
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 [[package]]
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 description = "Decorators for Humans"
 optional = false
 python-versions = ">=3.5"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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 description = "XML bomb protection for Python stdlib modules"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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 description = "Distribution utilities"
 optional = false
 python-versions = "*"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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 description = "Backport of PEP 654 (exception groups)"
 optional = false
 python-versions = ">=3.7"
+groups = ["main", "dev"]
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 description = "Get the currently executing AST node of a frame, and other information"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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 [[package]]
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+version = "2.21.1"
 description = "Fastest Python implementation of JSON schema"
 optional = false
 python-versions = "*"
+groups = ["main"]
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 ]
 
 [package.extras]
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 description = "A platform independent file lock."
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
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 optional = false
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+]
+
 [[package]]
 name = "h11"
 version = "0.14.0"
 description = "A pure-Python, bring-your-own-I/O implementation of HTTP/1.1"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "h11-0.14.0-py3-none-any.whl", hash = "sha256:e3fe4ac4b851c468cc8363d500db52c2ead036020723024a109d37346efaa761"},
     {file = "h11-0.14.0.tar.gz", hash = "sha256:8f19fbbe99e72420ff35c00b27a34cb9937e902a8b810e2c88300c6f0a3b699d"},
@@ -766,13 +1181,15 @@ files = [
 
 [[package]]
 name = "httpcore"
-version = "1.0.6"
+version = "1.0.7"
 description = "A minimal low-level HTTP client."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "httpcore-1.0.6-py3-none-any.whl", hash = "sha256:27b59625743b85577a8c0e10e55b50b5368a4f2cfe8cc7bcfa9cf00829c2682f"},
-    {file = "httpcore-1.0.6.tar.gz", hash = "sha256:73f6dbd6eb8c21bbf7ef8efad555481853f5f6acdeaff1edb0694289269ee17f"},
+    {file = "httpcore-1.0.7-py3-none-any.whl", hash = "sha256:a3fff8f43dc260d5bd363d9f9cf1830fa3a458b332856f34282de498ed420edd"},
+    {file = "httpcore-1.0.7.tar.gz", hash = "sha256:8551cb62a169ec7162ac7be8d4817d561f60e08eaa485234898414bb5a8a0b4c"},
 ]
 
 [package.dependencies]
@@ -787,13 +1204,15 @@ trio = ["trio (>=0.22.0,<1.0)"]
 
 [[package]]
 name = "httpx"
-version = "0.27.2"
+version = "0.28.1"
 description = "The next generation HTTP client."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "httpx-0.27.2-py3-none-any.whl", hash = "sha256:7bb2708e112d8fdd7829cd4243970f0c223274051cb35ee80c03301ee29a3df0"},
-    {file = "httpx-0.27.2.tar.gz", hash = "sha256:f7c2be1d2f3c3c3160d441802406b206c2b76f5947b11115e6df10c6c65e66c2"},
+    {file = "httpx-0.28.1-py3-none-any.whl", hash = "sha256:d909fcccc110f8c7faf814ca82a9a4d816bc5a6dbfea25d6591d6985b8ba59ad"},
+    {file = "httpx-0.28.1.tar.gz", hash = "sha256:75e98c5f16b0f35b567856f597f06ff2270a374470a5c2392242528e3e3e42fc"},
 ]
 
 [package.dependencies]
@@ -801,7 +1220,6 @@ anyio = "*"
 certifi = "*"
 httpcore = "==1.*"
 idna = "*"
-sniffio = "*"
 
 [package.extras]
 brotli = ["brotli", "brotlicffi"]
@@ -812,13 +1230,15 @@ zstd = ["zstandard (>=0.18.0)"]
 
 [[package]]
 name = "identify"
-version = "2.6.2"
+version = "2.6.3"
 description = "File identification library for Python"
 optional = false
 python-versions = ">=3.9"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "identify-2.6.2-py2.py3-none-any.whl", hash = "sha256:c097384259f49e372f4ea00a19719d95ae27dd5ff0fd77ad630aa891306b82f3"},
-    {file = "identify-2.6.2.tar.gz", hash = "sha256:fab5c716c24d7a789775228823797296a2994b075fb6080ac83a102772a98cbd"},
+    {file = "identify-2.6.3-py2.py3-none-any.whl", hash = "sha256:9edba65473324c2ea9684b1f944fe3191db3345e50b6d04571d10ed164f8d7bd"},
+    {file = "identify-2.6.3.tar.gz", hash = "sha256:62f5dae9b5fef52c84cc188514e9ea4f3f636b1d8799ab5ebc475471f9e47a02"},
 ]
 
 [package.extras]
@@ -830,6 +1250,8 @@ version = "3.10"
 description = "Internationalized Domain Names in Applications (IDNA)"
 optional = false
 python-versions = ">=3.6"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "idna-3.10-py3-none-any.whl", hash = "sha256:946d195a0d259cbba61165e88e65941f16e9b36ea6ddb97f00452bae8b1287d3"},
     {file = "idna-3.10.tar.gz", hash = "sha256:12f65c9b470abda6dc35cf8e63cc574b1c52b11df2c86030af0ac09b01b13ea9"},
@@ -844,6 +1266,8 @@ version = "2.0.0"
 description = "brain-dead simple config-ini parsing"
 optional = false
 python-versions = ">=3.7"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "iniconfig-2.0.0-py3-none-any.whl", hash = "sha256:b6a85871a79d2e3b22d2d1b94ac2824226a63c6b741c88f7ae975f18b6778374"},
     {file = "iniconfig-2.0.0.tar.gz", hash = "sha256:2d91e135bf72d31a410b17c16da610a82cb55f6b0477d1a902134b24a455b8b3"},
@@ -855,6 +1279,8 @@ version = "6.29.5"
 description = "IPython Kernel for Jupyter"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "ipykernel-6.29.5-py3-none-any.whl", hash = "sha256:afdb66ba5aa354b09b91379bac28ae4afebbb30e8b39510c9690afb7a10421b5"},
     {file = "ipykernel-6.29.5.tar.gz", hash = "sha256:f093a22c4a40f8828f8e330a9c297cb93dcab13bd9678ded6de8e5cf81c56215"},
@@ -884,13 +1310,15 @@ test = ["flaky", "ipyparallel", "pre-commit", "pytest (>=7.0)", "pytest-asyncio
 
 [[package]]
 name = "ipython"
-version = "8.29.0"
+version = "8.31.0"
 description = "IPython: Productive Interactive Computing"
 optional = false
 python-versions = ">=3.10"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "ipython-8.29.0-py3-none-any.whl", hash = "sha256:0188a1bd83267192123ccea7f4a8ed0a78910535dbaa3f37671dca76ebd429c8"},
-    {file = "ipython-8.29.0.tar.gz", hash = "sha256:40b60e15b22591450eef73e40a027cf77bd652e757523eebc5bd7c7c498290eb"},
+    {file = "ipython-8.31.0-py3-none-any.whl", hash = "sha256:46ec58f8d3d076a61d128fe517a51eb730e3aaf0c184ea8c17d16e366660c6a6"},
+    {file = "ipython-8.31.0.tar.gz", hash = "sha256:b6a2274606bec6166405ff05e54932ed6e5cfecaca1fc05f2cacde7bb074d70b"},
 ]
 
 [package.dependencies]
@@ -900,16 +1328,16 @@ exceptiongroup = {version = "*", markers = "python_version < \"3.11\""}
 jedi = ">=0.16"
 matplotlib-inline = "*"
 pexpect = {version = ">4.3", markers = "sys_platform != \"win32\" and sys_platform != \"emscripten\""}
-prompt-toolkit = ">=3.0.41,<3.1.0"
+prompt_toolkit = ">=3.0.41,<3.1.0"
 pygments = ">=2.4.0"
-stack-data = "*"
+stack_data = "*"
 traitlets = ">=5.13.0"
-typing-extensions = {version = ">=4.6", markers = "python_version < \"3.12\""}
+typing_extensions = {version = ">=4.6", markers = "python_version < \"3.12\""}
 
 [package.extras]
 all = ["ipython[black,doc,kernel,matplotlib,nbconvert,nbformat,notebook,parallel,qtconsole]", "ipython[test,test-extra]"]
 black = ["black"]
-doc = ["docrepr", "exceptiongroup", "intersphinx-registry", "ipykernel", "ipython[test]", "matplotlib", "setuptools (>=18.5)", "sphinx (>=1.3)", "sphinx-rtd-theme", "sphinxcontrib-jquery", "tomli", "typing-extensions"]
+doc = ["docrepr", "exceptiongroup", "intersphinx_registry", "ipykernel", "ipython[test]", "matplotlib", "setuptools (>=18.5)", "sphinx (>=1.3)", "sphinx-rtd-theme", "sphinxcontrib-jquery", "tomli", "typing_extensions"]
 kernel = ["ipykernel"]
 matplotlib = ["matplotlib"]
 nbconvert = ["nbconvert"]
@@ -926,6 +1354,8 @@ version = "20.11.0"
 description = "Operations with ISO 8601 durations"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "isoduration-20.11.0-py3-none-any.whl", hash = "sha256:b2904c2a4228c3d44f409c8ae8e2370eb21a26f7ac2ec5446df141dde3452042"},
     {file = "isoduration-20.11.0.tar.gz", hash = "sha256:ac2f9015137935279eac671f94f89eb00584f940f5dc49462a0c4ee692ba1bd9"},
@@ -940,6 +1370,8 @@ version = "0.19.2"
 description = "An autocompletion tool for Python that can be used for text editors."
 optional = false
 python-versions = ">=3.6"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jedi-0.19.2-py2.py3-none-any.whl", hash = "sha256:a8ef22bde8490f57fe5c7681a3c83cb58874daf72b4784de3cce5b6ef6edb5b9"},
     {file = "jedi-0.19.2.tar.gz", hash = "sha256:4770dc3de41bde3966b02eb84fbcf557fb33cce26ad23da12c742fb50ecb11f0"},
@@ -955,13 +1387,15 @@ testing = ["Django", "attrs", "colorama", "docopt", "pytest (<9.0.0)"]
 
 [[package]]
 name = "jinja2"
-version = "3.1.4"
+version = "3.1.5"
 description = "A very fast and expressive template engine."
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "jinja2-3.1.4-py3-none-any.whl", hash = "sha256:bc5dd2abb727a5319567b7a813e6a2e7318c39f4f487cfe6c89c6f9c7d25197d"},
-    {file = "jinja2-3.1.4.tar.gz", hash = "sha256:4a3aee7acbbe7303aede8e9648d13b8bf88a429282aa6122a993f0ac800cb369"},
+    {file = "jinja2-3.1.5-py3-none-any.whl", hash = "sha256:aba0f4dc9ed8013c424088f68a5c226f7d6097ed89b246d7749c2ec4175c6adb"},
+    {file = "jinja2-3.1.5.tar.gz", hash = "sha256:8fefff8dc3034e27bb80d67c671eb8a9bc424c0ef4c0826edbff304cceff43bb"},
 ]
 
 [package.dependencies]
@@ -972,13 +1406,15 @@ i18n = ["Babel (>=2.7)"]
 
 [[package]]
 name = "json5"
-version = "0.9.28"
+version = "0.10.0"
 description = "A Python implementation of the JSON5 data format."
 optional = false
 python-versions = ">=3.8.0"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "json5-0.9.28-py3-none-any.whl", hash = "sha256:29c56f1accdd8bc2e037321237662034a7e07921e2b7223281a5ce2c46f0c4df"},
-    {file = "json5-0.9.28.tar.gz", hash = "sha256:1f82f36e615bc5b42f1bbd49dbc94b12563c56408c6ffa06414ea310890e9a6e"},
+    {file = "json5-0.10.0-py3-none-any.whl", hash = "sha256:19b23410220a7271e8377f81ba8aacba2fdd56947fbb137ee5977cbe1f5e8dfa"},
+    {file = "json5-0.10.0.tar.gz", hash = "sha256:e66941c8f0a02026943c52c2eb34ebeb2a6f819a0be05920a6f5243cd30fd559"},
 ]
 
 [package.extras]
@@ -990,6 +1426,8 @@ version = "3.0.0"
 description = "Identify specific nodes in a JSON document (RFC 6901)"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jsonpointer-3.0.0-py2.py3-none-any.whl", hash = "sha256:13e088adc14fca8b6aa8177c044e12701e6ad4b28ff10e65f2267a90109c9942"},
     {file = "jsonpointer-3.0.0.tar.gz", hash = "sha256:2b2d729f2091522d61c3b31f82e11870f60b68f43fbc705cb76bf4b832af59ef"},
@@ -1001,6 +1439,8 @@ version = "4.23.0"
 description = "An implementation of JSON Schema validation for Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jsonschema-4.23.0-py3-none-any.whl", hash = "sha256:fbadb6f8b144a8f8cf9f0b89ba94501d143e50411a1278633f56a7acf7fd5566"},
     {file = "jsonschema-4.23.0.tar.gz", hash = "sha256:d71497fef26351a33265337fa77ffeb82423f3ea21283cd9467bb03999266bc4"},
@@ -1030,6 +1470,8 @@ version = "2024.10.1"
 description = "The JSON Schema meta-schemas and vocabularies, exposed as a Registry"
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jsonschema_specifications-2024.10.1-py3-none-any.whl", hash = "sha256:a09a0680616357d9a0ecf05c12ad234479f549239d0f5b55f3deea67475da9bf"},
     {file = "jsonschema_specifications-2024.10.1.tar.gz", hash = "sha256:0f38b83639958ce1152d02a7f062902c41c8fd20d558b0c34344292d417ae272"},
@@ -1044,6 +1486,8 @@ version = "8.6.3"
 description = "Jupyter protocol implementation and client libraries"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jupyter_client-8.6.3-py3-none-any.whl", hash = "sha256:e8a19cc986cc45905ac3362915f410f3af85424b4c0905e94fa5f2cb08e8f23f"},
     {file = "jupyter_client-8.6.3.tar.gz", hash = "sha256:35b3a0947c4a6e9d589eb97d7d4cd5e90f910ee73101611f01283732bd6d9419"},
@@ -1066,6 +1510,8 @@ version = "5.7.2"
 description = "Jupyter core package. A base package on which Jupyter projects rely."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jupyter_core-5.7.2-py3-none-any.whl", hash = "sha256:4f7315d2f6b4bcf2e3e7cb6e46772eba760ae459cd1f59d29eb57b0a01bd7409"},
     {file = "jupyter_core-5.7.2.tar.gz", hash = "sha256:aa5f8d32bbf6b431ac830496da7392035d6f61b4f54872f15c4bd2a9c3f536d9"},
@@ -1082,13 +1528,15 @@ test = ["ipykernel", "pre-commit", "pytest (<8)", "pytest-cov", "pytest-timeout"
 
 [[package]]
 name = "jupyter-events"
-version = "0.10.0"
+version = "0.11.0"
 description = "Jupyter Event System library"
 optional = false
-python-versions = ">=3.8"
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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-    {file = "jupyter_events-0.10.0.tar.gz", hash = "sha256:670b8229d3cc882ec782144ed22e0d29e1c2d639263f92ca8383e66682845e22"},
+    {file = "jupyter_events-0.11.0-py3-none-any.whl", hash = "sha256:36399b41ce1ca45fe8b8271067d6a140ffa54cec4028e95491c93b78a855cacf"},
+    {file = "jupyter_events-0.11.0.tar.gz", hash = "sha256:c0bc56a37aac29c1fbc3bcfbddb8c8c49533f9cf11f1c4e6adadba936574ab90"},
 ]
 
 [package.dependencies]
@@ -1102,7 +1550,7 @@ traitlets = ">=5.3"
 
 [package.extras]
 cli = ["click", "rich"]
-docs = ["jupyterlite-sphinx", "myst-parser", "pydata-sphinx-theme", "sphinxcontrib-spelling"]
+docs = ["jupyterlite-sphinx", "myst-parser", "pydata-sphinx-theme (>=0.16)", "sphinx (>=8)", "sphinxcontrib-spelling"]
 test = ["click", "pre-commit", "pytest (>=7.0)", "pytest-asyncio (>=0.19.0)", "pytest-console-scripts", "rich"]
 
 [[package]]
@@ -1111,6 +1559,8 @@ version = "2.2.5"
 description = "Multi-Language Server WebSocket proxy for Jupyter Notebook/Lab server"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jupyter-lsp-2.2.5.tar.gz", hash = "sha256:793147a05ad446f809fd53ef1cd19a9f5256fd0a2d6b7ce943a982cb4f545001"},
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@@ -1121,13 +1571,15 @@ jupyter-server = ">=1.1.2"
 
 [[package]]
 name = "jupyter-server"
-version = "2.14.2"
+version = "2.15.0"
 description = "The backend—i.e. core services, APIs, and REST endpoints—to Jupyter web applications."
 optional = false
-python-versions = ">=3.8"
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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-    {file = "jupyter_server-2.14.2.tar.gz", hash = "sha256:66095021aa9638ced276c248b1d81862e4c50f292d575920bbe960de1c56b12b"},
+    {file = "jupyter_server-2.15.0-py3-none-any.whl", hash = "sha256:872d989becf83517012ee669f09604aa4a28097c0bd90b2f424310156c2cdae3"},
+    {file = "jupyter_server-2.15.0.tar.gz", hash = "sha256:9d446b8697b4f7337a1b7cdcac40778babdd93ba614b6d68ab1c0c918f1c4084"},
 ]
 
 [package.dependencies]
@@ -1136,7 +1588,7 @@ argon2-cffi = ">=21.1"
 jinja2 = ">=3.0.3"
 jupyter-client = ">=7.4.4"
 jupyter-core = ">=4.12,<5.0.dev0 || >=5.1.dev0"
-jupyter-events = ">=0.9.0"
+jupyter-events = ">=0.11.0"
 jupyter-server-terminals = ">=0.4.4"
 nbconvert = ">=6.4.4"
 nbformat = ">=5.3.0"
@@ -1161,6 +1613,8 @@ version = "0.5.3"
 description = "A Jupyter Server Extension Providing Terminals."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jupyter_server_terminals-0.5.3-py3-none-any.whl", hash = "sha256:41ee0d7dc0ebf2809c668e0fc726dfaf258fcd3e769568996ca731b6194ae9aa"},
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@@ -1176,13 +1630,15 @@ test = ["jupyter-server (>=2.0.0)", "pytest (>=7.0)", "pytest-jupyter[server] (>
 
 [[package]]
 name = "jupyterlab"
-version = "4.3.0"
+version = "4.3.4"
 description = "JupyterLab computational environment"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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-    {file = "jupyterlab-4.3.0.tar.gz", hash = "sha256:7c6835cbf8df0af0ec8a39332e85ff11693fb9a468205343b4fc0bfbc74817e5"},
+    {file = "jupyterlab-4.3.4-py3-none-any.whl", hash = "sha256:b754c2601c5be6adf87cb5a1d8495d653ffb945f021939f77776acaa94dae952"},
+    {file = "jupyterlab-4.3.4.tar.gz", hash = "sha256:f0bb9b09a04766e3423cccc2fc23169aa2ffedcdf8713e9e0fb33cac0b6859d0"},
 ]
 
 [package.dependencies]
@@ -1196,7 +1652,7 @@ jupyter-server = ">=2.4.0,<3"
 jupyterlab-server = ">=2.27.1,<3"
 notebook-shim = ">=0.2"
 packaging = "*"
-setuptools = ">=40.1.0"
+setuptools = ">=40.8.0"
 tomli = {version = ">=1.2.2", markers = "python_version < \"3.11\""}
 tornado = ">=6.2.0"
 traitlets = "*"
@@ -1214,6 +1670,8 @@ version = "0.3.0"
 description = "Pygments theme using JupyterLab CSS variables"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "jupyterlab_pygments-0.3.0-py3-none-any.whl", hash = "sha256:841a89020971da1d8693f1a99997aefc5dc424bb1b251fd6322462a1b8842780"},
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@@ -1225,6 +1683,8 @@ version = "2.27.3"
 description = "A set of server components for JupyterLab and JupyterLab like applications."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1250,6 +1710,8 @@ version = "1.4.7"
 description = "A fast implementation of the Cassowary constraint solver"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1373,6 +1835,8 @@ version = "3.0.2"
 description = "Safely add untrusted strings to HTML/XML markup."
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1439,51 +1903,47 @@ files = [
 
 [[package]]
 name = "matplotlib"
-version = "3.9.2"
+version = "3.10.0"
 description = "Python plotting package"
 optional = false
-python-versions = ">=3.9"
-files = [
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 [package.dependencies]
@@ -1498,7 +1958,7 @@ pyparsing = ">=2.3.1"
 python-dateutil = ">=2.7"
 
 [package.extras]
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 [[package]]
 name = "matplotlib-inline"
@@ -1506,6 +1966,8 @@ version = "0.1.7"
 description = "Inline Matplotlib backend for Jupyter"
 optional = false
 python-versions = ">=3.8"
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 description = "A sane and fast Markdown parser with useful plugins and renderers"
 optional = false
 python-versions = ">=3.7"
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+typing-extensions = {version = ">=4.1.0", markers = "python_version < \"3.11\""}
+
 [[package]]
 name = "nbclient"
-version = "0.10.0"
+version = "0.10.2"
 description = "A client library for executing notebooks. Formerly nbconvert's ExecutePreprocessor."
 optional = false
-python-versions = ">=3.8.0"
+python-versions = ">=3.9.0"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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 [package.dependencies]
@@ -1544,8 +2116,8 @@ traitlets = ">=5.4"
 
 [package.extras]
 dev = ["pre-commit"]
-docs = ["autodoc-traits", "mock", "moto", "myst-parser", "nbclient[test]", "sphinx (>=1.7)", "sphinx-book-theme", "sphinxcontrib-spelling"]
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+docs = ["autodoc-traits", "flaky", "ipykernel (>=6.19.3)", "ipython", "ipywidgets", "mock", "moto", "myst-parser", "nbconvert (>=7.1.0)", "pytest (>=7.0,<8)", "pytest-asyncio", "pytest-cov (>=4.0)", "sphinx (>=1.7)", "sphinx-book-theme", "sphinxcontrib-spelling", "testpath", "xmltodict"]
+test = ["flaky", "ipykernel (>=6.19.3)", "ipython", "ipywidgets", "nbconvert (>=7.1.0)", "pytest (>=7.0,<8)", "pytest-asyncio", "pytest-cov (>=4.0)", "testpath", "xmltodict"]
 
 [[package]]
 name = "nbconvert"
@@ -1553,6 +2125,8 @@ version = "7.16.4"
 description = "Converting Jupyter Notebooks (.ipynb files) to other formats.  Output formats include asciidoc, html, latex, markdown, pdf, py, rst, script.  nbconvert can be used both as a Python library (`import nbconvert`) or as a command line tool (invoked as `jupyter nbconvert ...`)."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1590,6 +2164,8 @@ version = "5.10.4"
 description = "The Jupyter Notebook format"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1611,6 +2187,8 @@ version = "1.6.0"
 description = "Patch asyncio to allow nested event loops"
 optional = false
 python-versions = ">=3.5"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1622,6 +2200,8 @@ version = "1.9.1"
 description = "Node.js virtual environment builder"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,!=3.6.*,>=2.7"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1633,6 +2213,8 @@ version = "0.2.4"
 description = "A shim layer for notebook traits and config"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1644,68 +2226,86 @@ jupyter-server = ">=1.8,<3"
 [package.extras]
 test = ["pytest", "pytest-console-scripts", "pytest-jupyter", "pytest-tornasync"]
 
+[[package]]
+name = "nova-galaxy"
+version = "0.4.0"
+description = "Utilties for accessing the ORNL Galaxy instance"
+optional = false
+python-versions = "<4.0,>=3.10"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
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+]
+
+[package.dependencies]
+bioblend = ">=1.3.0,<2.0.0"
+tomli = ">=2.0.2,<3.0.0"
+
 [[package]]
 name = "numpy"
-version = "2.1.3"
+version = "2.2.1"
 description = "Fundamental package for array computing in Python"
 optional = false
 python-versions = ">=3.10"
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 [[package]]
@@ -1714,6 +2314,8 @@ version = "7.7.0"
 description = "A decorator to automatically detect mismatch when overriding a method."
 optional = false
 python-versions = ">=3.6"
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 description = "Core utilities for Python packages"
 optional = false
 python-versions = ">=3.8"
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 files = [
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@@ -1736,6 +2340,8 @@ version = "2.2.3"
 description = "Powerful data structures for data analysis, time series, and statistics"
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "pandas-2.2.3-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:1948ddde24197a0f7add2bdc4ca83bf2b1ef84a1bc8ccffd95eda17fd836ecb5"},
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@@ -1822,6 +2428,8 @@ version = "1.5.1"
 description = "Utilities for writing pandoc filters in python"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1833,6 +2441,8 @@ version = "0.8.4"
 description = "A Python Parser"
 optional = false
 python-versions = ">=3.6"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1848,6 +2458,8 @@ version = "4.9.0"
 description = "Pexpect allows easy control of interactive console applications."
 optional = false
 python-versions = "*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" and (sys_platform != \"win32\" and sys_platform != \"emscripten\") or python_version >= \"3.12\" and (sys_platform != \"win32\" and sys_platform != \"emscripten\")"
 files = [
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@@ -1862,6 +2474,8 @@ version = "11.0.0"
 description = "Python Imaging Library (Fork)"
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1954,6 +2568,8 @@ version = "4.3.6"
 description = "A small Python package for determining appropriate platform-specific dirs, e.g. a `user data dir`."
 optional = false
 python-versions = ">=3.8"
+groups = ["main", "dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1970,6 +2586,8 @@ version = "1.5.0"
 description = "plugin and hook calling mechanisms for python"
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1985,6 +2603,8 @@ version = "4.0.1"
 description = "A framework for managing and maintaining multi-language pre-commit hooks."
 optional = false
 python-versions = ">=3.9"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -1999,13 +2619,15 @@ virtualenv = ">=20.10.0"
 
 [[package]]
 name = "prometheus-client"
-version = "0.21.0"
+version = "0.21.1"
 description = "Python client for the Prometheus monitoring system."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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+    {file = "prometheus_client-0.21.1-py3-none-any.whl", hash = "sha256:594b45c410d6f4f8888940fe80b5cc2521b305a1fafe1c58609ef715a001f301"},
+    {file = "prometheus_client-0.21.1.tar.gz", hash = "sha256:252505a722ac04b0456be05c05f75f45d760c2911ffc45f2a06bcaed9f3ae3fb"},
 ]
 
 [package.extras]
@@ -2017,6 +2639,8 @@ version = "3.0.48"
 description = "Library for building powerful interactive command lines in Python"
 optional = false
 python-versions = ">=3.7.0"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2025,34 +2649,129 @@ files = [
 [package.dependencies]
 wcwidth = "*"
 
+[[package]]
+name = "propcache"
+version = "0.2.1"
+description = "Accelerated property cache"
+optional = false
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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@@ -2121,13 +2986,15 @@ diagrams = ["jinja2", "railroad-diagrams"]
 
 [[package]]
 name = "pytest"
-version = "8.3.3"
+version = "8.3.4"
 description = "pytest: simple powerful testing with Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "pytest-8.3.3-py3-none-any.whl", hash = "sha256:a6853c7375b2663155079443d2e45de913a911a11d669df02a50814944db57b2"},
-    {file = "pytest-8.3.3.tar.gz", hash = "sha256:70b98107bd648308a7952b06e6ca9a50bc660be218d53c257cc1fc94fda10181"},
+    {file = "pytest-8.3.4-py3-none-any.whl", hash = "sha256:50e16d954148559c9a74109af1eaf0c945ba2d8f30f0a3d3335edde19788b6f6"},
+    {file = "pytest-8.3.4.tar.gz", hash = "sha256:965370d062bce11e73868e0335abac31b4d3de0e82f4007408d242b4f8610761"},
 ]
 
 [package.dependencies]
@@ -2141,12 +3008,34 @@ tomli = {version = ">=1", markers = "python_version < \"3.11\""}
 [package.extras]
 dev = ["argcomplete", "attrs (>=19.2)", "hypothesis (>=3.56)", "mock", "pygments (>=2.7.2)", "requests", "setuptools", "xmlschema"]
 
+[[package]]
+name = "pytest-cov"
+version = "6.0.0"
+description = "Pytest plugin for measuring coverage."
+optional = false
+python-versions = ">=3.9"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
+    {file = "pytest-cov-6.0.0.tar.gz", hash = "sha256:fde0b595ca248bb8e2d76f020b465f3b107c9632e6a1d1705f17834c89dcadc0"},
+    {file = "pytest_cov-6.0.0-py3-none-any.whl", hash = "sha256:eee6f1b9e61008bd34975a4d5bab25801eb31898b032dd55addc93e96fcaaa35"},
+]
+
+[package.dependencies]
+coverage = {version = ">=7.5", extras = ["toml"]}
+pytest = ">=4.6"
+
+[package.extras]
+testing = ["fields", "hunter", "process-tests", "pytest-xdist", "virtualenv"]
+
 [[package]]
 name = "python-dateutil"
 version = "2.9.0.post0"
 description = "Extensions to the standard Python datetime module"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,>=2.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "python-dateutil-2.9.0.post0.tar.gz", hash = "sha256:37dd54208da7e1cd875388217d5e00ebd4179249f90fb72437e91a35459a0ad3"},
     {file = "python_dateutil-2.9.0.post0-py2.py3-none-any.whl", hash = "sha256:a8b2bc7bffae282281c8140a97d3aa9c14da0b136dfe83f850eea9a5f7470427"},
@@ -2157,21 +3046,28 @@ six = ">=1.5"
 
 [[package]]
 name = "python-json-logger"
-version = "2.0.7"
-description = "A python library adding a json log formatter"
+version = "3.2.1"
+description = "JSON Log Formatter for the Python Logging Package"
 optional = false
-python-versions = ">=3.6"
+python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "python-json-logger-2.0.7.tar.gz", hash = "sha256:23e7ec02d34237c5aa1e29a070193a4ea87583bb4e7f8fd06d3de8264c4b2e1c"},
-    {file = "python_json_logger-2.0.7-py3-none-any.whl", hash = "sha256:f380b826a991ebbe3de4d897aeec42760035ac760345e57b812938dc8b35e2bd"},
+    {file = "python_json_logger-3.2.1-py3-none-any.whl", hash = "sha256:cdc17047eb5374bd311e748b42f99d71223f3b0e186f4206cc5d52aefe85b090"},
+    {file = "python_json_logger-3.2.1.tar.gz", hash = "sha256:8eb0554ea17cb75b05d2848bc14fb02fbdbd9d6972120781b974380bfa162008"},
 ]
 
+[package.extras]
+dev = ["backports.zoneinfo", "black", "build", "freezegun", "mdx_truly_sane_lists", "mike", "mkdocs", "mkdocs-awesome-pages-plugin", "mkdocs-gen-files", "mkdocs-literate-nav", "mkdocs-material (>=8.5)", "mkdocstrings[python]", "msgspec", "msgspec-python313-pre", "mypy", "orjson", "pylint", "pytest", "tzdata", "validate-pyproject[all]"]
+
 [[package]]
 name = "pytz"
 version = "2024.2"
 description = "World timezone definitions, modern and historical"
 optional = false
 python-versions = "*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "pytz-2024.2-py2.py3-none-any.whl", hash = "sha256:31c7c1817eb7fae7ca4b8c7ee50c72f93aa2dd863de768e1ef4245d426aa0725"},
     {file = "pytz-2024.2.tar.gz", hash = "sha256:2aa355083c50a0f93fa581709deac0c9ad65cca8a9e9beac660adcbd493c798a"},
@@ -2183,6 +3079,8 @@ version = "308"
 description = "Python for Window Extensions"
 optional = false
 python-versions = "*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" and sys_platform == \"win32\" and platform_python_implementation != \"PyPy\" or python_version >= \"3.12\" and sys_platform == \"win32\" and platform_python_implementation != \"PyPy\""
 files = [
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     {file = "pywin32-308-cp310-cp310-win_amd64.whl", hash = "sha256:4fc888c59b3c0bef905ce7eb7e2106a07712015ea1c8234b703a088d46110e8e"},
@@ -2210,6 +3108,8 @@ version = "2.0.14"
 description = "Pseudo terminal support for Windows from Python."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" and os_name == \"nt\" or python_version >= \"3.12\" and os_name == \"nt\""
 files = [
     {file = "pywinpty-2.0.14-cp310-none-win_amd64.whl", hash = "sha256:0b149c2918c7974f575ba79f5a4aad58bd859a52fa9eb1296cc22aa412aa411f"},
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@@ -2225,6 +3125,8 @@ version = "6.0.2"
 description = "YAML parser and emitter for Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["main", "dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "PyYAML-6.0.2-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:0a9a2848a5b7feac301353437eb7d5957887edbf81d56e903999a75a3d743086"},
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@@ -2287,6 +3189,8 @@ version = "26.2.0"
 description = "Python bindings for 0MQ"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "pyzmq-26.2.0-cp310-cp310-macosx_10_15_universal2.whl", hash = "sha256:ddf33d97d2f52d89f6e6e7ae66ee35a4d9ca6f36eda89c24591b0c40205a3629"},
     {file = "pyzmq-26.2.0-cp310-cp310-macosx_10_9_x86_64.whl", hash = "sha256:dacd995031a01d16eec825bf30802fceb2c3791ef24bcce48fa98ce40918c27b"},
@@ -2408,6 +3312,8 @@ version = "0.35.1"
 description = "JSON Referencing + Python"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "referencing-0.35.1-py3-none-any.whl", hash = "sha256:eda6d3234d62814d1c64e305c1331c9a3a6132da475ab6382eaa997b21ee75de"},
     {file = "referencing-0.35.1.tar.gz", hash = "sha256:25b42124a6c8b632a425174f24087783efb348a6f1e0008e63cd4466fedf703c"},
@@ -2423,6 +3329,8 @@ version = "2.32.3"
 description = "Python HTTP for Humans."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "requests-2.32.3-py3-none-any.whl", hash = "sha256:70761cfe03c773ceb22aa2f671b4757976145175cdfca038c02654d061d6dcc6"},
     {file = "requests-2.32.3.tar.gz", hash = "sha256:55365417734eb18255590a9ff9eb97e9e1da868d4ccd6402399eaf68af20a760"},
@@ -2438,12 +3346,30 @@ urllib3 = ">=1.21.1,<3"
 socks = ["PySocks (>=1.5.6,!=1.5.7)"]
 use-chardet-on-py3 = ["chardet (>=3.0.2,<6)"]
 
+[[package]]
+name = "requests-toolbelt"
+version = "1.0.0"
+description = "A utility belt for advanced users of python-requests"
+optional = false
+python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
+    {file = "requests-toolbelt-1.0.0.tar.gz", hash = "sha256:7681a0a3d047012b5bdc0ee37d7f8f07ebe76ab08caeccfc3921ce23c88d5bc6"},
+    {file = "requests_toolbelt-1.0.0-py2.py3-none-any.whl", hash = "sha256:cccfdd665f0a24fcf4726e690f65639d272bb0637b9b92dfd91a5568ccf6bd06"},
+]
+
+[package.dependencies]
+requests = ">=2.0.1,<3.0.0"
+
 [[package]]
 name = "rfc3339-validator"
 version = "0.1.4"
 description = "A pure python RFC3339 validator"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "rfc3339_validator-0.1.4-py2.py3-none-any.whl", hash = "sha256:24f6ec1eda14ef823da9e36ec7113124b39c04d50a4d3d3a3c2859577e7791fa"},
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@@ -2458,6 +3384,8 @@ version = "0.1.1"
 description = "Pure python rfc3986 validator"
 optional = false
 python-versions = ">=2.7, !=3.0.*, !=3.1.*, !=3.2.*, !=3.3.*, !=3.4.*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "rfc3986_validator-0.1.1-py2.py3-none-any.whl", hash = "sha256:2f235c432ef459970b4306369336b9d5dbdda31b510ca1e327636e01f528bfa9"},
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@@ -2465,101 +3393,116 @@ files = [
 
 [[package]]
 name = "rpds-py"
-version = "0.21.0"
+version = "0.22.3"
 description = "Python bindings to Rust's persistent data structures (rpds)"
 optional = false
 python-versions = ">=3.9"
-files = [
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@@ -2568,6 +3511,8 @@ version = "1.14.1"
 description = "Fundamental algorithms for scientific computing in Python"
 optional = false
 python-versions = ">=3.10"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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@@ -2618,6 +3563,8 @@ version = "1.8.3"
 description = "Send file to trash natively under Mac OS X, Windows and Linux"
 optional = false
 python-versions = "!=3.0.*,!=3.1.*,!=3.2.*,!=3.3.*,!=3.4.*,!=3.5.*,>=2.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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@@ -2630,33 +3577,37 @@ win32 = ["pywin32"]
 
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 [[package]]
@@ -2665,6 +3616,8 @@ version = "1.3.1"
 description = "Sniff out which async library your code is running under"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "sniffio-1.3.1-py3-none-any.whl", hash = "sha256:2f6da418d1f1e0fddd844478f41680e794e6051915791a034ff65e5f100525a2"},
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@@ -2676,6 +3629,8 @@ version = "2.6"
 description = "A modern CSS selector implementation for Beautiful Soup."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "soupsieve-2.6-py3-none-any.whl", hash = "sha256:e72c4ff06e4fb6e4b5a9f0f55fe6e81514581fca1515028625d0f299c602ccc9"},
     {file = "soupsieve-2.6.tar.gz", hash = "sha256:e2e68417777af359ec65daac1057404a3c8a5455bb8abc36f1a9866ab1a51abb"},
@@ -2687,6 +3642,8 @@ version = "0.6.3"
 description = "Extract data from python stack frames and tracebacks for informative displays"
 optional = false
 python-versions = "*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "stack_data-0.6.3-py3-none-any.whl", hash = "sha256:d5558e0c25a4cb0853cddad3d77da9891a08cb85dd9f9f91b9f8cd66e511e695"},
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@@ -2706,6 +3663,8 @@ version = "0.18.1"
 description = "Tornado websocket backend for the Xterm.js Javascript terminal emulator library."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2727,6 +3686,8 @@ version = "1.4.0"
 description = "A tiny CSS parser"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2739,35 +3700,82 @@ webencodings = ">=0.4"
 doc = ["sphinx", "sphinx_rtd_theme"]
 test = ["pytest", "ruff"]
 
+[[package]]
+name = "tinydb"
+version = "4.8.2"
+description = "TinyDB is a tiny, document oriented database optimized for your happiness :)"
+optional = false
+python-versions = "<4.0,>=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
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+    {file = "tinydb-4.8.2.tar.gz", hash = "sha256:f7dfc39b8d7fda7a1ca62a8dbb449ffd340a117c1206b68c50b1a481fb95181d"},
+]
+
 [[package]]
 name = "tomli"
-version = "2.1.0"
+version = "2.2.1"
 description = "A lil' TOML parser"
 optional = false
 python-versions = ">=3.8"
-files = [
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-]
+groups = ["main", "dev"]
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+]
+markers = {main = "python_version <= \"3.11\" or python_version >= \"3.12\"", dev = "python_full_version <= \"3.11.0a6\""}
 
 [[package]]
 name = "tornado"
-version = "6.4.1"
+version = "6.4.2"
 description = "Tornado is a Python web framework and asynchronous networking library, originally developed at FriendFeed."
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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+    {file = "tornado-6.4.2.tar.gz", hash = "sha256:92bad5b4746e9879fd7bf1eb21dce4e3fc5128d71601f80005afa39237ad620b"},
 ]
 
 [[package]]
@@ -2776,6 +3784,8 @@ version = "5.14.3"
 description = "Traitlets Python configuration system"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "traitlets-5.14.3-py3-none-any.whl", hash = "sha256:b74e89e397b1ed28cc831db7aea759ba6640cb3de13090ca145426688ff1ac4f"},
     {file = "traitlets-5.14.3.tar.gz", hash = "sha256:9ed0579d3502c94b4b3732ac120375cda96f923114522847de4b3bb98b96b6b7"},
@@ -2785,15 +3795,39 @@ files = [
 docs = ["myst-parser", "pydata-sphinx-theme", "sphinx"]
 test = ["argcomplete (>=3.0.3)", "mypy (>=1.7.0)", "pre-commit", "pytest (>=7.0,<8.2)", "pytest-mock", "pytest-mypy-testing"]
 
+[[package]]
+name = "tuspy"
+version = "1.1.0"
+description = "A Python client for the tus resumable upload protocol ->  http://tus.io"
+optional = false
+python-versions = ">=3.5.3"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
+files = [
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+    {file = "tuspy-1.1.0.tar.gz", hash = "sha256:156734eac5c61a046cfecd70f14119f05be92cce198eb5a1a99a664482bedb89"},
+]
+
+[package.dependencies]
+aiohttp = ">=3.6.2"
+requests = ">=2.18.4"
+tinydb = ">=3.5.0"
+
+[package.extras]
+dev = ["Sphinx (==1.7.1)", "sphinx-autobuild (==2021.3.14)", "tox (>=2.3.1)"]
+test = ["aioresponses (>=0.6.2)", "coverage (>=4.2)", "parametrize (>=0.1.1)", "pytest (>=3.0.3)", "pytest-cov (>=2.3.1,<2.6)", "responses (>=0.5.1)"]
+
 [[package]]
 name = "types-python-dateutil"
-version = "2.9.0.20241003"
+version = "2.9.0.20241206"
 description = "Typing stubs for python-dateutil"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
-    {file = "types-python-dateutil-2.9.0.20241003.tar.gz", hash = "sha256:58cb85449b2a56d6684e41aeefb4c4280631246a0da1a719bdbe6f3fb0317446"},
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+    {file = "types_python_dateutil-2.9.0.20241206-py3-none-any.whl", hash = "sha256:e248a4bc70a486d3e3ec84d0dc30eec3a5f979d6e7ee4123ae043eedbb987f53"},
+    {file = "types_python_dateutil-2.9.0.20241206.tar.gz", hash = "sha256:18f493414c26ffba692a72369fea7a154c502646301ebfe3d56a04b3767284cb"},
 ]
 
 [[package]]
@@ -2802,6 +3836,8 @@ version = "4.12.2"
 description = "Backported and Experimental Type Hints for Python 3.8+"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "typing_extensions-4.12.2-py3-none-any.whl", hash = "sha256:04e5ca0351e0f3f85c6853954072df659d0d13fac324d0072316b67d7794700d"},
     {file = "typing_extensions-4.12.2.tar.gz", hash = "sha256:1a7ead55c7e559dd4dee8856e3a88b41225abfe1ce8df57b7c13915fe121ffb8"},
@@ -2813,6 +3849,8 @@ version = "2024.2"
 description = "Provider of IANA time zone data"
 optional = false
 python-versions = ">=2"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "tzdata-2024.2-py2.py3-none-any.whl", hash = "sha256:a48093786cdcde33cad18c2555e8532f34422074448fbc874186f0abd79565cd"},
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@@ -2824,6 +3862,8 @@ version = "1.3.0"
 description = "RFC 6570 URI Template Processor"
 optional = false
 python-versions = ">=3.7"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
     {file = "uri-template-1.3.0.tar.gz", hash = "sha256:0e00f8eb65e18c7de20d595a14336e9f337ead580c70934141624b6d1ffdacc7"},
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@@ -2834,13 +3874,15 @@ dev = ["flake8", "flake8-annotations", "flake8-bandit", "flake8-bugbear", "flake
 
 [[package]]
 name = "urllib3"
-version = "2.2.3"
+version = "2.3.0"
 description = "HTTP library with thread-safe connection pooling, file post, and more."
 optional = false
-python-versions = ">=3.8"
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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-    {file = "urllib3-2.2.3.tar.gz", hash = "sha256:e7d814a81dad81e6caf2ec9fdedb284ecc9c73076b62654547cc64ccdcae26e9"},
+    {file = "urllib3-2.3.0-py3-none-any.whl", hash = "sha256:1cee9ad369867bfdbbb48b7dd50374c0967a0bb7710050facf0dd6911440e3df"},
+    {file = "urllib3-2.3.0.tar.gz", hash = "sha256:f8c5449b3cf0861679ce7e0503c7b44b5ec981bec0d1d3795a07f1ba96f0204d"},
 ]
 
 [package.extras]
@@ -2851,13 +3893,15 @@ zstd = ["zstandard (>=0.18.0)"]
 
 [[package]]
 name = "virtualenv"
-version = "20.27.1"
+version = "20.28.0"
 description = "Virtual Python Environment builder"
 optional = false
 python-versions = ">=3.8"
+groups = ["dev"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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+    {file = "virtualenv-20.28.0.tar.gz", hash = "sha256:2c9c3262bb8e7b87ea801d715fae4495e6032450c71d2309be9550e7364049aa"},
 ]
 
 [package.dependencies]
@@ -2875,6 +3919,8 @@ version = "0.2.13"
 description = "Measures the displayed width of unicode strings in a terminal"
 optional = false
 python-versions = "*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2886,6 +3932,8 @@ version = "24.11.1"
 description = "A library for working with the color formats defined by HTML and CSS."
 optional = false
 python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2897,6 +3945,8 @@ version = "0.5.1"
 description = "Character encoding aliases for legacy web content"
 optional = false
 python-versions = "*"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2908,6 +3958,8 @@ version = "1.8.0"
 description = "WebSocket client for Python with low level API options"
 optional = false
 python-versions = ">=3.8"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
 files = [
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@@ -2918,7 +3970,105 @@ docs = ["Sphinx (>=6.0)", "myst-parser (>=2.0.0)", "sphinx-rtd-theme (>=1.1.0)"]
 optional = ["python-socks", "wsaccel"]
 test = ["websockets"]
 
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+name = "yarl"
+version = "1.18.3"
+description = "Yet another URL library"
+optional = false
+python-versions = ">=3.9"
+groups = ["main"]
+markers = "python_version <= \"3.11\" or python_version >= \"3.12\""
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+    {file = "yarl-1.18.3-cp39-cp39-macosx_11_0_arm64.whl", hash = "sha256:a440a2a624683108a1b454705ecd7afc1c3438a08e890a1513d468671d90a04e"},
+    {file = "yarl-1.18.3-cp39-cp39-manylinux_2_17_aarch64.manylinux2014_aarch64.whl", hash = "sha256:09c7907c8548bcd6ab860e5f513e727c53b4a714f459b084f6580b49fa1b9cee"},
+    {file = "yarl-1.18.3-cp39-cp39-manylinux_2_17_ppc64le.manylinux2014_ppc64le.whl", hash = "sha256:b4f6450109834af88cb4cc5ecddfc5380ebb9c228695afc11915a0bf82116789"},
+    {file = "yarl-1.18.3-cp39-cp39-manylinux_2_17_s390x.manylinux2014_s390x.whl", hash = "sha256:a9ca04806f3be0ac6d558fffc2fdf8fcef767e0489d2684a21912cc4ed0cd1b8"},
+    {file = "yarl-1.18.3-cp39-cp39-manylinux_2_17_x86_64.manylinux2014_x86_64.whl", hash = "sha256:77a6e85b90a7641d2e07184df5557132a337f136250caafc9ccaa4a2a998ca2c"},
+    {file = "yarl-1.18.3-cp39-cp39-manylinux_2_5_i686.manylinux1_i686.manylinux_2_17_i686.manylinux2014_i686.whl", hash = "sha256:6333c5a377c8e2f5fae35e7b8f145c617b02c939d04110c76f29ee3676b5f9a5"},
+    {file = "yarl-1.18.3-cp39-cp39-musllinux_1_2_aarch64.whl", hash = "sha256:0b3c92fa08759dbf12b3a59579a4096ba9af8dd344d9a813fc7f5070d86bbab1"},
+    {file = "yarl-1.18.3-cp39-cp39-musllinux_1_2_armv7l.whl", hash = "sha256:4ac515b860c36becb81bb84b667466885096b5fc85596948548b667da3bf9f24"},
+    {file = "yarl-1.18.3-cp39-cp39-musllinux_1_2_i686.whl", hash = "sha256:045b8482ce9483ada4f3f23b3774f4e1bf4f23a2d5c912ed5170f68efb053318"},
+    {file = "yarl-1.18.3-cp39-cp39-musllinux_1_2_ppc64le.whl", hash = "sha256:a4bb030cf46a434ec0225bddbebd4b89e6471814ca851abb8696170adb163985"},
+    {file = "yarl-1.18.3-cp39-cp39-musllinux_1_2_s390x.whl", hash = "sha256:54d6921f07555713b9300bee9c50fb46e57e2e639027089b1d795ecd9f7fa910"},
+    {file = "yarl-1.18.3-cp39-cp39-musllinux_1_2_x86_64.whl", hash = "sha256:1d407181cfa6e70077df3377938c08012d18893f9f20e92f7d2f314a437c30b1"},
+    {file = "yarl-1.18.3-cp39-cp39-win32.whl", hash = "sha256:ac36703a585e0929b032fbaab0707b75dc12703766d0b53486eabd5139ebadd5"},
+    {file = "yarl-1.18.3-cp39-cp39-win_amd64.whl", hash = "sha256:ba87babd629f8af77f557b61e49e7c7cac36f22f871156b91e10a6e9d4f829e9"},
+    {file = "yarl-1.18.3-py3-none-any.whl", hash = "sha256:b57f4f58099328dfb26c6a771d09fb20dbbae81d20cfb66141251ea063bd101b"},
+    {file = "yarl-1.18.3.tar.gz", hash = "sha256:ac1801c45cbf77b6c99242eeff4fffb5e4e73a800b5c4ad4fc0be5def634d2e1"},
+]
+
+[package.dependencies]
+idna = ">=2.0"
+multidict = ">=4.0"
+propcache = ">=0.2.0"
+
 [metadata]
-lock-version = "2.0"
-python-versions = "^3.10"
-content-hash = "d451d7d01850e6c5462ec9af8902821f4420caa9fac44b9a65c0a1af44056c1d"
+lock-version = "2.1"
+python-versions = ">=3.10,<4.0"
+content-hash = "26cf6d31cdfd04362a4ea619c0c04b1713819a584356e749cd93f51fef60e880"
diff --git a/pyproject.toml b/pyproject.toml
index 3f01e0b..3864e18 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,44 +1,72 @@
-[tool.poetry]
+[project]
 name = "pleiades"
 version = "0.1.1"
 description = "PLEIADES - Python Libraries Extensions for Isotopic Analysis via Detailed Examination of SAMMY"
-authors = ["Alex M. Long <alexlong@lanl.gov>"]
 license = "MIT"
-packages = [
-    { include = "pleiades", from = "src" }
+authors = [
+    {name = "Alex M. Long", email = "alexlong@lanl.gov"},
+    {name = "Tsviki Hirsh", email = "tsviki.hirsh@gmail.com"},
+    {name = "Chen Zhang", email = "zhangc@ornl.gov"},
+    {name = "Jean Bilheux", email = "bilheuxjm@ornl.gov"},
 ]
-include = [
-    "nucDataLibs/**"
+requires-python = ">=3.10,<4.0"
+dependencies = [
+    "setuptools",
+    "numpy",
+    "scipy",
+    "pandas",
+    "matplotlib",
+    "jupyterlab",
+    "nova-galaxy",
+    "pyyaml",
+    "pydantic",
 ]
 
-[build-system]
-requires = ["poetry>=1.1.0"]
-build-backend = "poetry.core.masonry.api"
+[project.scripts]
+pleiades = "pleiades:main"  # Console script entry point
+post_install_check = "pleiades.post_install:check_sammy_installed"
 
 # ---------------------------------------------------------- #
 # This section is for users who want to install via `poetry` #
 # ---------------------------------------------------------- #
-[tool.poetry.dependencies]
-# Core
-python = "^3.10"  # replace with the appropriate Python version
-setuptools = "*"
-# Numerical
-numpy = "*"
-scipy = "*"
-pandas = "*"
-# Visualization
-matplotlib = ">=3.1.2"
-# Notebooks
-jupyterlab = "^4.3.0"
-
-[tool.poetry.scripts]
-pleiades = "pleiades:main"  # Console script entry point
-post_install_check = "pleiades.post_install:check_sammy_installed"
+[tool.poetry]
+packages = [
+    { include = "pleiades", from = "src" }
+]
+include = [
+    "src/pleiades/data/isotopes/*",
+    "src/pleiades/data/resonances/*",
+    "src/pleiades/data/cross_sections/*"
+]
 
-[tool.poetry.dev-dependencies]
-pytest = "*"
+[tool.poetry.group.dev.dependencies]
+pytest = "^8.3.4"
+pytest-cov = "^6.0.0"
 pre-commit = "^4.0.1"
 
+[build-system]
+requires = ["poetry>=1.1.0"]
+build-backend = "poetry.core.masonry.api"
+
 # --------------------------------------------- #
 # The rest all 3rd party plugins configurations #
 # --------------------------------------------- #
+[tool.pytest.ini_options]
+addopts = "-v --cov=pleiades --cov-report=term-missing"
+pythonpath = [
+  ".", "src", "scripts"
+]
+testpaths = ["tests"]
+python_files = ["test*.py"]
+norecursedirs = [".git", "tmp*", "_tmp*", "__pycache__", "*dataset*", "*data_set*"]
+
+[tool.coverage.report]
+exclude_lines = [
+    "if __name__ == .__main__.:"
+]
+
+[tool.ruff]
+line-length = 140
+
+[tool.ruff.lint]
+select = ["A", "ARG","ASYNC", "E", "F", "I", "UP032", "W"]
diff --git a/src/pleiades/core/__init__.py b/src/pleiades/core/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/pleiades/core/constants.py b/src/pleiades/core/constants.py
new file mode 100644
index 0000000..304652e
--- /dev/null
+++ b/src/pleiades/core/constants.py
@@ -0,0 +1,43 @@
+#!/usr/bin/env python
+"""Physical constants with validation."""
+
+from pydantic import BaseModel, ConfigDict, Field, computed_field
+
+
+class PhysicalConstants(BaseModel):
+    """Physical constants used in nuclear calculations."""
+
+    model_config = ConfigDict(frozen=True)
+
+    # Particle masses (use floats instead of Mass objects)
+    neutron_mass_amu: float = Field(default=1.008664915, description="Neutron mass in amu")
+    proton_mass_amu: float = Field(default=1.007276466, description="Proton mass in amu")
+    electron_mass_amu: float = Field(default=0.000548579909, description="Electron mass in amu")
+
+    # Fundamental constants
+    speed_of_light: float = Field(default=299792458.0, description="Speed of light in m/s")
+    planck_constant: float = Field(default=4.135667696e-15, description="Planck constant in eV⋅s")
+    boltzmann_constant: float = Field(default=8.617333262e-5, description="Boltzmann constant in eV/K")
+    elementary_charge: float = Field(default=1.602176634e-19, description="Elementary charge in Coulombs")
+    avogadro_number: float = Field(default=6.02214076e23, description="Avogadro's number in mol^-1")
+
+    # Nuclear physics constants
+    barn_to_cm2: float = Field(default=1e-24, description="Conversion factor from barns to cm²")
+    amu_to_kg: float = Field(default=1.660539067e-27, description="Conversion factor from amu to kg")
+
+    # Derived constants
+    @computed_field
+    @property
+    def neutron_mass_kg(self) -> float:
+        """Neutron mass in kilograms."""
+        return self.neutron_mass_amu * self.amu_to_kg
+
+    @computed_field
+    @property
+    def atomic_mass_unit_eV(self) -> float:  # noqa: N802
+        """One atomic mass unit in eV/c²."""
+        return 931.494061e6  # MeV/c² to eV/c²
+
+
+# Create singleton instance
+CONSTANTS = PhysicalConstants()
diff --git a/src/pleiades/core/data_manager.py b/src/pleiades/core/data_manager.py
new file mode 100644
index 0000000..0ae644d
--- /dev/null
+++ b/src/pleiades/core/data_manager.py
@@ -0,0 +1,280 @@
+#!/usr/bin/env python
+"""Manages access to nuclear data files packaged with PLEIADES."""
+
+import functools
+import logging
+import re
+from importlib import resources
+from pathlib import Path
+from typing import Dict, List, Optional, Set
+
+from pleiades.core.models import CrossSectionPoint, DataCategory, IsotopeIdentifier, IsotopeInfo, IsotopeMassData
+
+logger = logging.getLogger(__name__)
+
+
+class NuclearDataManager:
+    """
+    Manages access to nuclear data files packaged with PLEIADES.
+
+    This class provides a centralized interface for accessing nuclear data files
+    that are distributed with the PLEIADES package. It handles path resolution,
+    validates file existence, and caches results for improved performance.
+    """
+
+    # Mapping of categories to their valid file extensions
+    _VALID_EXTENSIONS = {
+        DataCategory.ISOTOPES: {".info", ".mas20", ".list"},
+        DataCategory.RESONANCES: {".endf"},
+        DataCategory.CROSS_SECTIONS: {".tot"},
+    }
+
+    def __init__(self):
+        """Initialize the NuclearDataManager."""
+        self._cached_files: Dict[DataCategory, Set[Path]] = {}
+        self._initialize_cache()
+
+    def _initialize_cache(self) -> None:
+        """Initialize the cache of available files for each category."""
+        for category in DataCategory:
+            try:
+                category_path = self._get_category_path(category)
+                data_path = resources.files("pleiades.data").joinpath(category_path)
+                self._cached_files[category] = {
+                    item.name for item in data_path.iterdir() if item.suffix in self._VALID_EXTENSIONS[category]
+                }
+            except Exception as e:
+                logger.error(f"Failed to initialize cache for {category}: {str(e)}")
+                self._cached_files[category] = set()
+
+    @staticmethod
+    def _get_category_path(category: DataCategory) -> str:
+        """Get the filesystem path for a category."""
+        return DataCategory.to_path(category)
+
+    @functools.lru_cache(maxsize=128)
+    def get_file_path(self, category: DataCategory, filename: str) -> Path:
+        """
+        Get the path to a specific data file.
+
+        Args:
+            category: The category of the data file
+            filename: The name of the file to retrieve
+
+        Returns:
+            Path to the requested file
+
+        Raises:
+            FileNotFoundError: If the file doesn't exist
+            ValueError: If the category is invalid or file extension is not allowed
+        """
+        if not isinstance(category, DataCategory):
+            raise ValueError(f"Invalid category: {category}")
+
+        file_path = Path(filename)
+        if file_path.suffix not in self._VALID_EXTENSIONS[category]:
+            raise ValueError(
+                f"Invalid file extension for {category}. " f"Allowed extensions: {self._VALID_EXTENSIONS[category]}"
+            )
+
+        try:
+            with resources.path(f"pleiades.data.{self._get_category_path(category)}", filename) as path:
+                if not path.exists():
+                    raise FileNotFoundError(f"File {filename} not found in {category}")
+                return path
+        except Exception as e:
+            raise FileNotFoundError(f"Error accessing {filename} in {category}: {str(e)}")
+
+    def list_files(self, category: Optional[DataCategory] = None) -> Dict[DataCategory, List[str]]:
+        """
+        List available data files.
+
+        Args:
+            category: Optional specific category to list files for
+
+        Returns:
+            Dictionary mapping categories to lists of available filenames
+
+        Raises:
+            ValueError: If specified category is invalid
+        """
+        if category is not None:
+            if not isinstance(category, DataCategory):
+                raise ValueError(f"Invalid category: {category}")
+            return {category: sorted(self._cached_files[category])}
+
+        return {cat: sorted(self._cached_files[cat]) for cat in DataCategory}
+
+    def validate_file(self, category: DataCategory, filename: str) -> bool:
+        """
+        Validate that a file exists and has the correct extension.
+
+        Args:
+            category: The category of the file
+            filename: The name of the file to validate
+
+        Returns:
+            True if the file is valid, False otherwise
+        """
+        try:
+            path = Path(filename)
+            return path.suffix in self._VALID_EXTENSIONS[category] and path in self._cached_files[category]
+        except Exception:
+            return False
+
+    def get_isotope_info(self, isotope: IsotopeIdentifier) -> Optional[IsotopeInfo]:
+        """
+        Extract isotope information from the isotopes.info file.
+
+        Args:
+            isotope: IsotopeIdentifier instance
+
+        Returns:
+            IsotopeInfo containing spin and abundance if found, None otherwise
+        """
+        try:
+            with self.get_file_path(DataCategory.ISOTOPES, "isotopes.info").open() as f:
+                for line in f:
+                    line = line.strip()
+                    if line and line[0].isdigit():
+                        data = line.split()
+                        if data[3] == isotope.element and int(data[1]) == isotope.mass_number:
+                            return IsotopeInfo(spin=float(data[5]), abundance=float(data[7]))
+            return None
+        except Exception as e:
+            logger.error(f"Error reading isotope info for {isotope}: {str(e)}")
+            raise
+
+    def get_mass_data(self, isotope: IsotopeIdentifier) -> Optional[IsotopeMassData]:
+        """
+        Extract mass data for an isotope from the mass.mas20 file.
+
+        Args:
+            isotope: IsotopeIdentifier instance
+
+        Returns:
+            IsotopeMassData containing atomic mass, mass uncertainty
+
+        Raises:
+            ValueError: If data cannot be parsed
+        """
+        try:
+            with self.get_file_path(DataCategory.ISOTOPES, "mass.mas20").open() as f:
+                # Skip header lines
+                for _ in range(36):
+                    next(f)
+
+                for line in f:
+                    if (isotope.element in line[:25]) and (str(isotope.mass_number) in line[:25]):
+                        # Parse the line according to mass.mas20 format
+                        atomic_mass_coarse = line[106:109].replace("*", "nan").replace("#", ".0")
+                        atomic_mass_fine = line[110:124].replace("*", "nan").replace("#", ".0")
+
+                        if "nan" not in [atomic_mass_coarse, atomic_mass_fine]:
+                            atomic_mass = float(atomic_mass_coarse + atomic_mass_fine) / 1e6
+                        else:
+                            atomic_mass = float("nan")
+
+                        return IsotopeMassData(
+                            atomic_mass=atomic_mass,
+                            mass_uncertainty=float(line[124:136].replace("*", "nan").replace("#", ".0")),
+                            binding_energy=float(line[54:66].replace("*", "nan").replace("#", ".0")),
+                            beta_decay_energy=float(line[81:93].replace("*", "nan").replace("#", ".0")),
+                        )
+                return None
+        except Exception as e:
+            logger.error(f"Error reading mass data for {isotope}: {str(e)}")
+            raise
+
+    def read_cross_section_data(self, filename: str, isotope: IsotopeIdentifier) -> List[CrossSectionPoint]:
+        """
+        Read cross-section data from a .tot file for a specific isotope.
+
+        Args:
+            filename: Name of the cross-section file
+            isotope: IsotopeIdentifier instance
+
+        Returns:
+            List of CrossSectionPoint containing energy and cross-section values
+
+        Raises:
+            ValueError: If isotope data not found or file format is invalid
+        """
+        try:
+            data_points = []
+            isotope_found = False
+            capture_data = False
+
+            # Convert to string format expected in file (e.g., "U-238")
+            isotope_str = str(isotope)
+
+            with self.get_file_path(DataCategory.CROSS_SECTIONS, filename).open() as f:
+                for line in f:
+                    if isotope_str.upper() in line:
+                        isotope_found = True
+                    elif isotope_found and "#data..." in line:
+                        capture_data = True
+                    elif isotope_found and "//" in line:
+                        break
+                    elif capture_data and not line.startswith("#"):
+                        try:
+                            energy_MeV, xs = line.split()  # noqa: N806
+                            data_points.append(
+                                CrossSectionPoint(
+                                    energy=float(energy_MeV) * 1e6,  # Convert MeV to eV
+                                    cross_section=float(xs),
+                                )
+                            )
+                        except ValueError:
+                            logger.warning(f"Skipping malformed line in {filename}: {line.strip()}")
+                            continue
+
+            if not isotope_found:
+                raise ValueError(f"No data found for isotope {isotope_str} in {filename}")
+
+            return data_points
+        except Exception as e:
+            logger.error(f"Error reading cross-section data from {filename}: {str(e)}")
+            raise
+
+    def get_mat_number(self, isotope: IsotopeIdentifier) -> Optional[int]:
+        """
+        Get ENDF MAT number for an isotope.
+
+        Args:
+            isotope: IsotopeIdentifier instance
+
+        Returns:
+            ENDF MAT number if found, None otherwise
+
+        Raises:
+            ValueError: If isotope format is invalid
+        """
+        try:
+            with self.get_file_path(DataCategory.ISOTOPES, "neutrons.list").open() as f:
+                # Line matching breakdown:
+                # "496)  92-U -238 IAEA       EVAL-DEC14 IAEA Consortium                  9237"
+                # When line matches pattern
+                # We get groups:
+                #   match.group(1) = "92"
+                #   match.group(2) = "U"
+                #   match.group(3) = "238"
+                # Check if constructed string matches input:
+                #   match.expand(r"\2-\3") = "U-238"
+                # If match found, get MAT number:
+                # Take last 5 characters of line "  9237" -> 9237
+                pattern = r"\b\s*(\d+)\s*-\s*([A-Za-z]+)\s*-\s*(\d+)([A-Za-z]*)\b"
+
+                for line in f:
+                    match = re.search(pattern, line)
+                    if match and match.expand(r"\2-\3") == str(isotope):
+                        return int(line[-5:])
+            return None
+        except Exception as e:
+            logger.error(f"Error getting MAT number for {isotope}: {str(e)}")
+            raise
+
+    def clear_cache(self) -> None:
+        """Clear the file cache and force reinitialization."""
+        self._cached_files.clear()
+        self._initialize_cache()
diff --git a/src/pleiades/core/models.py b/src/pleiades/core/models.py
new file mode 100644
index 0000000..50f1c37
--- /dev/null
+++ b/src/pleiades/core/models.py
@@ -0,0 +1,257 @@
+#!/usr/bin/env python
+"""Core physical quantity models with validation."""
+
+import math
+import re
+from enum import Enum, auto
+from pathlib import Path
+from typing import List, Optional
+
+from pydantic import BaseModel, ConfigDict, Field, computed_field, field_validator, model_validator
+from typing_extensions import Annotated
+
+from pleiades.core.constants import CONSTANTS
+
+NonNegativeFloat = Annotated[float, Field(ge=0)]
+PositiveFloat = Annotated[float, Field(gt=0)]
+
+
+class DataCategory(Enum):
+    """Enumeration of valid data categories."""
+
+    ISOTOPES = auto()
+    RESONANCES = auto()
+    CROSS_SECTIONS = auto()
+
+    @classmethod
+    def to_path(cls, category: "DataCategory") -> str:
+        """Convert category enum to path string."""
+        return category.name.lower()
+
+
+class IsotopeInfo(BaseModel):
+    model_config = ConfigDict(frozen=True)
+
+    spin: float = Field(ge=0)
+    abundance: float = Field(ge=0)
+
+
+class IsotopeIdentifier(BaseModel):
+    model_config = ConfigDict(frozen=True)
+
+    element: str = Field(pattern=r"^[A-Z][a-z]?$")
+    mass_number: int = Field(gt=0)
+
+    @classmethod
+    def from_string(cls, isotope_str: str) -> "IsotopeIdentifier":
+        match = re.match(r"([A-Za-z]+)-(\d+)", isotope_str)
+        if not match:
+            raise ValueError("Invalid isotope format")
+        return cls(element=match.group(1).capitalize(), mass_number=int(match.group(2)))
+
+    def __str__(self) -> str:
+        """Convert to string format 'element-mass_number'."""
+        return f"{self.element}-{self.mass_number}"
+
+
+class CrossSectionPoint(BaseModel):
+    model_config = ConfigDict(frozen=True)
+
+    energy: NonNegativeFloat = Field(description="Energy in eV")
+    cross_section: NonNegativeFloat = Field(description="Cross section in barns")
+
+
+class IsotopeMassData(BaseModel):
+    model_config = ConfigDict(frozen=True)
+
+    atomic_mass: float = Field(description="Mass in atomic mass units")
+    mass_uncertainty: NonNegativeFloat
+    binding_energy: Optional[float] = Field(description="Binding energy in MeV")
+    beta_decay_energy: Optional[float] = Field(description="Beta decay energy in MeV")
+
+
+class UnitType(str, Enum):
+    """Physical unit types with strict validation."""
+
+    ENERGY = "energy"  # eV
+    MASS = "mass"  # amu
+    LENGTH = "length"  # m
+    CROSS_SECTION = "cross"  # barns
+    TIME = "time"  # s
+    TEMPERATURE = "temp"  # K
+    DIMENSIONLESS = "none"  # unitless
+
+    @property
+    def unit_symbol(self) -> str:
+        """Get standard unit symbol."""
+        return {
+            "energy": "eV",
+            "mass": "amu",
+            "length": "m",
+            "cross": "b",
+            "time": "s",
+            "temp": "K",
+            "none": "",
+        }[self.value]
+
+
+class PhysicalQuantity(BaseModel):
+    """Base model for physical quantities with validation."""
+
+    model_config = ConfigDict(frozen=True)
+
+    value: float = Field(description="Numerical value")
+    unit_type: UnitType = Field(description="Physical unit type")
+
+    @field_validator("value")
+    @classmethod
+    def validate_value(cls, v: float) -> float:
+        """Validate numerical value."""
+        if math.isnan(v):
+            raise ValueError("Value cannot be NaN")
+        if math.isinf(v):
+            raise ValueError("Value cannot be infinite")
+        return v
+
+    @computed_field
+    @property
+    def display_str(self) -> str:
+        """String representation with units."""
+        return f"{self.value} {self.unit_type.unit_symbol}"
+
+
+class Energy(PhysicalQuantity):
+    """Energy quantity with non-negative validation."""
+
+    value: NonNegativeFloat
+    unit_type: UnitType = Field(default=UnitType.ENERGY, frozen=True)
+
+    # Class methods are not affected by Pydantic v2 changes
+    @classmethod
+    def from_MeV(cls, value: float) -> "Energy":  # noqa: N802
+        """Convert from MeV to eV."""
+        return cls(value=value * 1e6)
+
+    @computed_field
+    @property
+    def MeV(self) -> float:  # noqa: N802
+        """Energy value in MeV."""
+        return self.value * 1e-6
+
+
+class Mass(PhysicalQuantity):
+    """Mass quantity with positive validation."""
+
+    value: PositiveFloat
+    unit_type: UnitType = Field(default=UnitType.MASS, frozen=True)
+
+    @computed_field
+    @property
+    def kg(self) -> float:
+        """Mass value in kilograms."""
+        return self.value * CONSTANTS.amu_to_kg
+
+
+class Temperature(PhysicalQuantity):
+    """Temperature quantity with non-negative validation."""
+
+    value: NonNegativeFloat
+    unit_type: UnitType = Field(default=UnitType.TEMPERATURE, frozen=True)
+
+
+class Isotope(BaseModel):
+    """
+    Represents an isotope with its physical properties and data.
+
+    Migration source: simData.py Isotope class
+    Changes made:
+    - Converted from regular class to Pydantic model
+    - Added proper type hints and validation
+    - Made immutable with ConfigDict(frozen=True)
+    - Added computed properties for derived values
+    """
+
+    model_config = ConfigDict(frozen=False)
+
+    # Core properties
+    identifier: IsotopeIdentifier
+    atomic_mass: Mass
+    thickness: NonNegativeFloat
+    thickness_unit: str = Field(pattern=r"^(cm|mm|atoms/cm2)$")
+    abundance: float = Field(ge=0.0, le=1.0)
+    density: NonNegativeFloat
+    density_unit: str = Field(default="g/cm3", pattern=r"^g/cm3$")
+
+    # Data source tracking
+    xs_file_location: Optional[Path] = None
+    xs_data: List[CrossSectionPoint] = Field(default_factory=list)
+
+    @model_validator(mode="after")
+    def validate_units(self) -> "Isotope":
+        """Validate unit compatibility."""
+        valid_thickness_units = {"cm", "mm", "atoms/cm2"}
+        if self.thickness_unit not in valid_thickness_units:
+            raise ValueError(f"Invalid thickness unit. Must be one of: {valid_thickness_units}")
+        if self.density_unit != "g/cm3":
+            raise ValueError("Density must be in g/cm3")
+        return self
+
+    @classmethod
+    def from_config(cls, config: dict) -> "Isotope":
+        """
+        Create an Isotope instance from configuration dictionary.
+
+        Migration note: Replaces load_isotopes_from_config in simData.py
+        """
+        identifier = IsotopeIdentifier.from_string(config["name"])
+
+        return cls(
+            identifier=identifier,
+            atomic_mass=Mass(value=config.get("atomic_mass", 0.0)),
+            thickness=float(config.get("thickness", 0.0)),
+            thickness_unit=config.get("thickness_unit", "cm"),
+            abundance=float(config.get("abundance", 0.0)),
+            density=float(config.get("density", 0.0)),
+            density_unit=config.get("density_unit", "g/cm3"),
+            xs_file_location=Path(config.get("xs_file_location", "")) if config.get("xs_file_location") else None,
+        )
+
+    @computed_field
+    @property
+    def areal_density(self) -> float:
+        """
+        Calculate areal density in atoms/barn.
+
+        Migration note: Moved from simData.py create_transmission function
+        """
+        if self.thickness_unit == "atoms/cm2":
+            return self.thickness * 1e-24  # Convert to atoms/barn
+
+        thickness_cm = self.thickness
+        if self.thickness_unit == "mm":
+            thickness_cm /= 10.0
+
+        return (
+            thickness_cm * self.density * CONSTANTS.avogadro_number / self.atomic_mass.value / 1e24
+        )  # Convert to atoms/barn
+
+
+# Unit conversion functions
+def eV_to_MeV(energy: Energy) -> float:  # noqa: N802
+    """Convert energy from eV to MeV."""
+    return energy.value * 1e-6
+
+
+def MeV_to_eV(energy: float) -> Energy:  # noqa: N802
+    """Convert energy from MeV to eV."""
+    return Energy(value=energy * 1e6)
+
+
+def barns_to_cm2(cross_section: float) -> float:
+    """Convert cross section from barns to cm²."""
+    return cross_section * CONSTANTS.barn_to_cm2
+
+
+def cm2_to_barns(cross_section: float) -> float:
+    """Convert cross section from cm² to barns."""
+    return cross_section / CONSTANTS.barn_to_cm2
diff --git a/src/pleiades/core/transmission.py b/src/pleiades/core/transmission.py
new file mode 100644
index 0000000..f4cc3bc
--- /dev/null
+++ b/src/pleiades/core/transmission.py
@@ -0,0 +1,71 @@
+#!/usr/bin/env python
+"""
+Neutron transmission calculations.
+
+Migration source: simData.py
+Changes:
+- Added type hints and validation
+- Improved error handling
+- Used Pydantic models for data validation
+- Added logging
+"""
+
+import logging
+from typing import List, Tuple
+
+import numpy as np
+from scipy.interpolate import interp1d
+
+from pleiades.core.models import Isotope
+
+logger = logging.getLogger(__name__)
+
+
+class TransmissionError(Exception):
+    """Base exception for transmission calculation errors."""
+
+    pass
+
+
+def calculate_transmission(isotope: Isotope, energies: List[float]) -> List[Tuple[float, float]]:
+    """
+    Calculate transmission values for given energies.
+
+    Migration source: simData.py create_transmission()
+    Changes:
+    - Added type hints
+    - Improved error handling
+    - Used Pydantic models for validation
+    - Added logging
+
+    Args:
+        isotope: Isotope instance with loaded cross-section data
+        energies: List of energy values in eV
+
+    Returns:
+        List of (energy, transmission) tuples
+
+    Raises:
+        TransmissionError: If calculation fails
+    """
+    try:
+        if not isotope.xs_data:
+            raise TransmissionError("No cross-section data loaded")
+
+        # Create interpolation function
+        xs_energies = [pt.energy for pt in isotope.xs_data]
+        xs_values = [pt.cross_section for pt in isotope.xs_data]
+
+        xs_interp = interp1d(xs_energies, xs_values, kind="linear", fill_value="extrapolate")
+
+        # Calculate transmissions
+        transmissions = []
+        for energy in energies:
+            xs = float(xs_interp(energy))
+            trans = min(1.0, np.exp(-xs * isotope.areal_density))
+            transmissions.append((energy, trans))
+
+        return transmissions
+
+    except Exception as e:
+        raise TransmissionError(f"Transmission calculation failed: {str(e)}") from e
diff --git a/src/pleiades/data/__init__.py b/src/pleiades/data/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/nucDataLibs/xSections/ag-n.tot b/src/pleiades/data/cross_sections/ag-n.tot
similarity index 100%
rename from nucDataLibs/xSections/ag-n.tot
rename to src/pleiades/data/cross_sections/ag-n.tot
diff --git a/nucDataLibs/xSections/au-n.tot b/src/pleiades/data/cross_sections/au-n.tot
similarity index 100%
rename from nucDataLibs/xSections/au-n.tot
rename to src/pleiades/data/cross_sections/au-n.tot
diff --git a/nucDataLibs/xSections/pu-n.tot b/src/pleiades/data/cross_sections/pu-n.tot
similarity index 100%
rename from nucDataLibs/xSections/pu-n.tot
rename to src/pleiades/data/cross_sections/pu-n.tot
diff --git a/nucDataLibs/xSections/ta-n.tot b/src/pleiades/data/cross_sections/ta-n.tot
similarity index 100%
rename from nucDataLibs/xSections/ta-n.tot
rename to src/pleiades/data/cross_sections/ta-n.tot
diff --git a/nucDataLibs/xSections/u-n.tot b/src/pleiades/data/cross_sections/u-n.tot
similarity index 100%
rename from nucDataLibs/xSections/u-n.tot
rename to src/pleiades/data/cross_sections/u-n.tot
diff --git a/nucDataLibs/xSections/w-n.tot b/src/pleiades/data/cross_sections/w-n.tot
similarity index 100%
rename from nucDataLibs/xSections/w-n.tot
rename to src/pleiades/data/cross_sections/w-n.tot
diff --git a/nucDataLibs/isotopeInfo/isotopes.info b/src/pleiades/data/isotopes/isotopes.info
similarity index 100%
rename from nucDataLibs/isotopeInfo/isotopes.info
rename to src/pleiades/data/isotopes/isotopes.info
diff --git a/nucDataLibs/isotopeInfo/mass.mas20 b/src/pleiades/data/isotopes/mass.mas20
similarity index 100%
rename from nucDataLibs/isotopeInfo/mass.mas20
rename to src/pleiades/data/isotopes/mass.mas20
diff --git a/nucDataLibs/isotopeInfo/neutrons.list b/src/pleiades/data/isotopes/neutrons.list
similarity index 100%
rename from nucDataLibs/isotopeInfo/neutrons.list
rename to src/pleiades/data/isotopes/neutrons.list
diff --git a/nucDataLibs/resonanceTables/res_endf8.endf b/src/pleiades/data/resonances/res_endf8.endf
similarity index 100%
rename from nucDataLibs/resonanceTables/res_endf8.endf
rename to src/pleiades/data/resonances/res_endf8.endf
diff --git a/src/pleiades/sammy/__init__.py b/src/pleiades/sammy/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/pleiades/sammy/backends/__init__.py b/src/pleiades/sammy/backends/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/src/pleiades/sammy/backends/docker.py b/src/pleiades/sammy/backends/docker.py
new file mode 100644
index 0000000..5f7609b
--- /dev/null
+++ b/src/pleiades/sammy/backends/docker.py
@@ -0,0 +1,204 @@
+#!/usr/bin/env python
+"""Docker backend implementation for SAMMY execution."""
+
+import logging
+import shutil
+import subprocess
+import textwrap
+from datetime import datetime
+from pathlib import Path
+from uuid import uuid4
+
+from pleiades.sammy.config import DockerSammyConfig
+from pleiades.sammy.interface import (
+    EnvironmentPreparationError,
+    SammyExecutionError,
+    SammyExecutionResult,
+    SammyFiles,
+    SammyRunner,
+)
+
+logger = logging.getLogger(__name__)
+
+
+class DockerSammyRunner(SammyRunner):
+    """Implementation of SAMMY runner for Docker container."""
+
+    def __init__(self, config: DockerSammyConfig):
+        super().__init__(config)
+        self.config = config
+        self._moved_files = []
+
+    def prepare_environment(self, files: SammyFiles) -> None:
+        """
+        Prepare environment for Docker SAMMY execution.
+
+        Args:
+            files: Container with paths to required input files
+
+        Raises:
+            EnvironmentPreparationError: If preparation fails
+        """
+        try:
+            # Validate input files exist
+            files.validate()
+
+            # Validate docker is available
+            if shutil.which("docker") is None:
+                raise EnvironmentPreparationError("Docker not found in PATH")
+
+            # Verify docker image exists
+            result = subprocess.run(
+                ["docker", "image", "inspect", self.config.image_name], capture_output=True, text=True
+            )
+            if result.returncode != 0:
+                raise EnvironmentPreparationError(f"Docker image not found: {self.config.image_name}")
+
+        except EnvironmentPreparationError:
+            raise  # Reraise to avoid double logging
+        except Exception as e:
+            raise EnvironmentPreparationError(f"Environment preparation failed: {str(e)}")
+
+    def execute_sammy(self, files: SammyFiles) -> SammyExecutionResult:
+        """
+        Execute SAMMY using Docker container.
+
+        Args:
+            files: Container with paths to required input files
+
+        Returns:
+            SammyExecutionResult containing execution status and outputs
+
+        Raises:
+            SammyExecutionError: If execution fails
+        """
+        execution_id = str(uuid4())
+        start_time = datetime.now()
+
+        logger.info(f"Starting SAMMY execution {execution_id} in Docker")
+        logger.debug(f"Input files from: {files.input_file.parent}")
+        logger.debug(f"Working directory: {self.config.working_dir}")
+
+        # Prepare container paths for input files
+        container_input = str(self.config.container_data_dir / files.input_file.name)
+        container_params = str(self.config.container_data_dir / files.parameter_file.name)
+        container_data = str(self.config.container_data_dir / files.data_file.name)
+
+        # Construct docker run command
+        docker_cmd = [
+            "docker",
+            "run",
+            "--rm",  # Remove container after execution
+            "-i",  # Interactive mode for heredoc input
+            # Mount working directory
+            "-v",
+            f"{self.config.working_dir}:{self.config.container_working_dir}",
+            # Mount data directory
+            "-v",
+            f"{files.input_file.parent}:{self.config.container_data_dir}",
+            # Set working directory
+            "-w",
+            str(self.config.container_working_dir),
+            # Image name
+            self.config.image_name,
+            # SAMMY command (will receive input via stdin)
+            "sammy",
+        ]
+
+        # Prepare SAMMY input
+        sammy_input = textwrap.dedent(f"""\
+            {container_input}
+            {container_params}
+            {container_data}
+            """)
+
+        try:
+            process = subprocess.run(docker_cmd, input=sammy_input, text=True, capture_output=True)
+
+            end_time = datetime.now()
+            console_output = process.stdout + process.stderr
+
+            if process.returncode != 0:
+                logger.error(f"Docker execution failed with code {process.returncode}")
+                return SammyExecutionResult(
+                    success=False,
+                    execution_id=execution_id,
+                    start_time=start_time,
+                    end_time=end_time,
+                    console_output=console_output,
+                    error_message=f"Docker execution failed with code {process.returncode}",
+                )
+
+            # Check SAMMY output for success
+            success = " Normal finish to SAMMY" in console_output
+            error_message = None if success else "SAMMY execution failed"
+
+            if not success:
+                logger.error(f"SAMMY execution failed for {execution_id}")
+            else:
+                logger.info(f"SAMMY execution completed successfully for {execution_id}")
+
+            return SammyExecutionResult(
+                success=success,
+                execution_id=execution_id,
+                start_time=start_time,
+                end_time=end_time,
+                console_output=console_output,
+                error_message=error_message,
+            )
+
+        except Exception as e:
+            logger.exception(f"Docker execution failed for {execution_id}")
+            raise SammyExecutionError(f"Docker execution failed: {str(e)}")
+
+    def cleanup(self) -> None:
+        """Clean up after execution."""
+        logger.debug("Performing cleanup")
+        self._moved_files = []
+
+    def validate_config(self) -> bool:
+        """Validate the configuration."""
+        return self.config.validate()
+
+
+if __name__ == "__main__":
+    # Setup paths
+    test_data_dir = Path(__file__).parents[4] / "tests/data/ex012"
+    working_dir = Path.home() / "tmp" / "sammy_docker_run"
+    output_dir = working_dir / "output"
+
+    try:
+        # Create and validate config
+        config = DockerSammyConfig(image_name="kedokudo/sammy-docker", working_dir=working_dir, output_dir=output_dir)
+        config.validate()
+
+        # Create files container
+        files = SammyFiles(
+            input_file=test_data_dir / "ex012a.inp",
+            parameter_file=test_data_dir / "ex012a.par",
+            data_file=test_data_dir / "ex012a.dat",
+        )
+
+        # Create and use runner
+        runner = DockerSammyRunner(config)
+
+        # Execute pipeline
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        # Process results
+        if result.success:
+            print(f"SAMMY execution successful (runtime: {result.runtime_seconds:.2f}s)")
+            runner.collect_outputs(result)
+            print(f"Output files available in: {output_dir}")
+        else:
+            print("SAMMY execution failed:")
+            print(result.error_message)
+            print("\nConsole output:")
+            print(result.console_output)
+
+    except Exception as e:
+        print(f"Error running SAMMY: {str(e)}")
+
+    finally:
+        runner.cleanup()
diff --git a/src/pleiades/sammy/backends/local.py b/src/pleiades/sammy/backends/local.py
new file mode 100644
index 0000000..0a3ca97
--- /dev/null
+++ b/src/pleiades/sammy/backends/local.py
@@ -0,0 +1,160 @@
+#!/usr/env/bin python
+"""Local backend implementation for SAMMY execution."""
+
+import logging
+import subprocess
+import textwrap
+from datetime import datetime
+from pathlib import Path
+from typing import List
+from uuid import uuid4
+
+from pleiades.sammy.config import LocalSammyConfig
+from pleiades.sammy.interface import (
+    EnvironmentPreparationError,
+    SammyExecutionError,
+    SammyExecutionResult,
+    SammyFiles,
+    SammyRunner,
+)
+
+logger = logging.getLogger(__name__)
+
+# Known SAMMY output file patterns
+SAMMY_OUTPUT_FILES = {
+    "SAMMY.LPT",  # Log file
+    "SAMMIE.ODF",  # Output data file
+    "SAMNDF.PAR",  # Updated parameter file
+    "SAMRESOLVED.PAR",  # Additional parameter file
+}
+
+
+class LocalSammyRunner(SammyRunner):
+    """Implementation of SAMMY runner for local installation."""
+
+    def __init__(self, config: LocalSammyConfig):
+        super().__init__(config)
+        self.config: LocalSammyConfig = config
+        self._moved_files: List[Path] = []
+
+    def prepare_environment(self, files: SammyFiles) -> None:
+        """Prepare environment for local SAMMY execution."""
+        try:
+            logger.debug("Validating input files")
+            files.validate()
+
+            # No need to validate directories as this is done in config validation
+            logger.debug("Environment preparation complete")
+
+        except Exception as e:
+            raise EnvironmentPreparationError(f"Environment preparation failed: {str(e)}")
+
+    def execute_sammy(self, files: SammyFiles) -> SammyExecutionResult:
+        """Execute SAMMY using local installation."""
+        execution_id = str(uuid4())
+        start_time = datetime.now()
+
+        logger.info(f"Starting SAMMY execution {execution_id}")
+        logger.debug(f"Working directory: {self.config.working_dir}")
+
+        sammy_command = textwrap.dedent(f"""\
+            {self.config.sammy_executable} <<EOF
+            {files.input_file}
+            {files.parameter_file}
+            {files.data_file}
+            EOF""")
+
+        try:
+            process = subprocess.run(
+                sammy_command,
+                shell=True,
+                executable=str(self.config.shell_path),
+                env=self.config.env_vars,
+                cwd=str(self.config.working_dir),
+                capture_output=True,
+                text=True,
+            )
+
+            end_time = datetime.now()
+            console_output = process.stdout + process.stderr
+            success = " Normal finish to SAMMY" in console_output
+
+            if not success:
+                logger.error(f"SAMMY execution failed for {execution_id}")
+                error_message = (
+                    f"SAMMY execution failed with return code {process.returncode}. "
+                    "Check console output for details."
+                )
+            else:
+                logger.info(f"SAMMY execution completed successfully for {execution_id}")
+                error_message = None
+
+            return SammyExecutionResult(
+                success=success,
+                execution_id=execution_id,
+                start_time=start_time,
+                end_time=end_time,
+                console_output=console_output,
+                error_message=error_message,
+            )
+
+        except Exception as e:
+            logger.exception(f"SAMMY execution failed for {execution_id}")
+            raise SammyExecutionError(f"SAMMY execution failed: {str(e)}")
+
+    def cleanup(self) -> None:
+        """Clean up after execution."""
+        logger.debug("Performing cleanup for local backend")
+        self._moved_files = []
+
+    def validate_config(self) -> bool:
+        """Validate the configuration."""
+        return self.config.validate()
+
+
+if __name__ == "__main__":
+    from pathlib import Path
+
+    # Setup paths
+    sammy_executable = Path.home() / "code.ornl.gov/SAMMY/build/bin/sammy"
+    test_data_dir = Path(__file__).parents[4] / "tests/data/ex012"
+    working_dir = Path.home() / "tmp/pleiades_test"
+    output_dir = working_dir / "output"
+
+    # Create config
+    config = LocalSammyConfig(sammy_executable=sammy_executable, working_dir=working_dir, output_dir=output_dir)
+    config.validate()
+
+    # Create files container
+    files = SammyFiles(
+        input_file=test_data_dir / "ex012a.inp",
+        parameter_file=test_data_dir / "ex012a.par",
+        data_file=test_data_dir / "ex012a.dat",
+    )
+
+    try:
+        # Create and use runner
+        runner = LocalSammyRunner(config)
+
+        # Prepare environment
+        runner.prepare_environment(files)
+
+        # Execute SAMMY
+        result = runner.execute_sammy(files)
+
+        # Process results
+        if result.success:
+            print(f"SAMMY execution successful (runtime: {result.runtime_seconds:.2f}s)")
+            runner.collect_outputs(result)
+        else:
+            print("SAMMY execution failed:")
+            print(result.error_message)
+            print("\nConsole output:")
+            print(result.console_output)
+
+    except Exception as e:
+        print(f"Error running SAMMY: {str(e)}")
+
+    finally:
+        # Cleanup
+        runner.cleanup()
diff --git a/src/pleiades/sammy/backends/nova_ornl.py b/src/pleiades/sammy/backends/nova_ornl.py
new file mode 100644
index 0000000..e3f8840
--- /dev/null
+++ b/src/pleiades/sammy/backends/nova_ornl.py
@@ -0,0 +1,209 @@
+#!/usr/bin/env python
+"""NOVA web service backend implementation for SAMMY execution."""
+
+import logging
+import os
+import zipfile
+from datetime import datetime
+from pathlib import Path
+from tempfile import TemporaryDirectory
+from typing import Optional
+from uuid import uuid4
+
+from nova.galaxy import Dataset, Nova, NovaConnection, Parameters, Tool
+
+from pleiades.sammy.config import NovaSammyConfig
+from pleiades.sammy.interface import (
+    EnvironmentPreparationError,
+    SammyExecutionError,
+    SammyExecutionResult,
+    SammyFiles,
+    SammyRunner,
+)
+
+logger = logging.getLogger(__name__)
+
+
+class NovaConnectionError(Exception):
+    """Raised when NOVA connection fails."""
+
+    pass
+
+
+class NovaSammyRunner(SammyRunner):
+    """Implementation of SAMMY runner for NOVA web service."""
+
+    def __init__(self, config: NovaSammyConfig):
+        super().__init__(config)
+        self.config: NovaSammyConfig = config
+        self._nova: Optional[Nova] = None
+        self._connection: Optional[NovaConnection] = None
+        self._datastore_name: Optional[str] = None
+        self._temp_dir: Optional[TemporaryDirectory] = None
+
+    def prepare_environment(self, files: SammyFiles) -> None:
+        """
+        Prepare NOVA environment and validate connection.
+
+        Args:
+            files: Container with paths to required input files
+
+        Raises:
+            EnvironmentPreparationError: If preparation fails
+        """
+        try:
+            # Validate input files
+            files.validate()
+
+            # Initialize NOVA connection
+            self._nova = Nova(self.config.url, self.config.api_key)
+
+            # Create temporary directory for downloads
+            self._temp_dir = TemporaryDirectory()
+
+            logger.debug("Testing NOVA connection")
+            with self._nova.connect() as conn:
+                self._connection = conn
+
+        except Exception as e:
+            raise EnvironmentPreparationError(f"NOVA environment preparation failed: {str(e)}")
+
+    def execute_sammy(self, files: SammyFiles) -> SammyExecutionResult:
+        """Execute SAMMY using NOVA web service."""
+        execution_id = str(uuid4())
+        start_time = datetime.now()
+
+        logger.info(f"Starting SAMMY execution {execution_id} via NOVA")
+
+        try:
+            # Create unique datastore
+            self._datastore_name = f"sammy_{execution_id}"
+            datastore = self._connection.create_data_store(self._datastore_name)
+
+            # Prepare tool and datasets
+            tool = Tool(id=self.config.tool_id)
+            params = Parameters()
+
+            # Add input files as datasets
+            params.add_input("inp", Dataset(str(files.input_file)))
+            params.add_input("par", Dataset(str(files.parameter_file)))
+            params.add_input("data", Dataset(str(files.data_file)))
+
+            # Run SAMMY
+            results = tool.run(datastore, params)
+
+            # Get console output
+            console_output = results.get_dataset("sammy_console_output").get_content()
+
+            # Download and extract output files
+            output_zip = Path(self._temp_dir.name) / "sammy_outputs.zip"
+            results.get_collection("sammy_output_files").download(str(output_zip))
+
+            # Extract files to output directory, handling nested structure
+            with zipfile.ZipFile(output_zip) as zf:
+                for zip_info in zf.filelist:
+                    # Get just the filename, ignoring directory structure in ZIP
+                    filename = Path(zip_info.filename).name
+                    # Extract if it's a file (not directory) and starts with SAM
+                    if not zip_info.is_dir() and (filename.startswith("SAM") or filename == "SAMMY.LPT"):
+                        # Read the file from zip
+                        with zf.open(zip_info) as source:
+                            # Write to output directory
+                            output_file = self.config.output_dir / filename
+                            output_file.write_bytes(source.read())
+                            logger.debug(f"Extracted {filename} to output directory")
+
+            end_time = datetime.now()
+            success = " Normal finish to SAMMY" in console_output
+            error_message = None if success else "SAMMY execution failed"
+
+            if not success:
+                logger.error(f"SAMMY execution failed for {execution_id}")
+            else:
+                logger.info(f"SAMMY execution completed successfully for {execution_id}")
+
+            return SammyExecutionResult(
+                success=success,
+                execution_id=execution_id,
+                start_time=start_time,
+                end_time=end_time,
+                console_output=console_output,
+                error_message=error_message,
+            )
+
+        except Exception as e:
+            logger.exception(f"NOVA execution failed for {execution_id}")
+            raise SammyExecutionError(f"NOVA execution failed: {str(e)}")
+
+    def cleanup(self) -> None:
+        """Clean up NOVA resources."""
+        logger.debug("Performing NOVA cleanup")
+
+        try:
+            # Remove temporary directory if it exists
+            if self._temp_dir is not None:
+                self._temp_dir.cleanup()
+                self._temp_dir = None
+
+            # No need to explicitly close connection as it's handled by context manager
+            self._connection = None
+            self._nova = None
+
+        except Exception as e:
+            logger.error(f"Error during cleanup: {str(e)}")
+
+    def validate_config(self):
+        """Validate the configuration."""
+        return self.config.validate()
+
+
+if __name__ == "__main__":
+    # Setup paths
+    test_data_dir = Path(__file__).parents[4] / "tests/data/ex012"
+    working_dir = Path.home() / "tmp" / "sammy_nova_run"
+    output_dir = working_dir / "output"
+
+    try:
+        # Get NOVA credentials from environment
+        nova_url = os.environ.get("NOVA_URL")
+        nova_api_key = os.environ.get("NOVA_API_KEY")
+
+        if not nova_url or not nova_api_key:
+            raise ValueError("NOVA_URL and NOVA_API_KEY environment variables must be set")
+
+        # Create and validate config
+        config = NovaSammyConfig(url=nova_url, api_key=nova_api_key, working_dir=working_dir, output_dir=output_dir)
+        config.validate()
+
+        # Create files container
+        files = SammyFiles(
+            input_file=test_data_dir / "ex012a.inp",
+            parameter_file=test_data_dir / "ex012a.par",
+            data_file=test_data_dir / "ex012a.dat",
+        )
+
+        # Create and use runner
+        runner = NovaSammyRunner(config)
+
+        # Execute pipeline
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        # Process results
+        if result.success:
+            print(f"SAMMY execution successful (runtime: {result.runtime_seconds:.2f}s)")
+            # NOTE: DO NOT collect here as nova runner packages all output files on the server
+            #       and pleiades download the zip archive, extract and move to output directory.
+            print(f"Output files available in: {output_dir}")
+        else:
+            print("SAMMY execution failed:")
+            print(result.error_message)
+            print("\nConsole output:")
+            print(result.console_output)
+
+    except Exception as e:
+        print(f"Error running SAMMY: {str(e)}")
+
+    finally:
+        if "runner" in locals():
+            runner.cleanup()
diff --git a/src/pleiades/sammy/config.py b/src/pleiades/sammy/config.py
new file mode 100644
index 0000000..4f74fce
--- /dev/null
+++ b/src/pleiades/sammy/config.py
@@ -0,0 +1,123 @@
+#!/usr/env/bin python
+"""
+Configuration management for SAMMY execution backends.
+
+This module provides concrete configuration classes for each SAMMY backend type,
+inheriting from the base configuration defined in the interface module.
+"""
+
+import shutil
+from dataclasses import dataclass, field
+from pathlib import Path
+from typing import Dict
+
+from pleiades.sammy.interface import BaseSammyConfig, ConfigurationError
+
+
+@dataclass
+class LocalSammyConfig(BaseSammyConfig):
+    """Configuration for local SAMMY installation."""
+
+    sammy_executable: Path
+    shell_path: Path = Path("/bin/bash")
+    env_vars: Dict[str, str] = field(default_factory=dict)
+
+    def validate(self) -> bool:
+        """Validate local SAMMY configuration."""
+        # Validate base configuration first
+        super().validate()
+
+        # Validate SAMMY executable exists and is executable
+        sammy_path = shutil.which(str(self.sammy_executable))
+        if not sammy_path:
+            raise ConfigurationError(f"SAMMY executable not found: {self.sammy_executable}")
+        self.sammy_executable = Path(sammy_path)
+
+        # Validate shell exists
+        if not self.shell_path.exists():
+            raise ConfigurationError(f"Shell not found: {self.shell_path}")
+
+        return True
+
+
+@dataclass
+class DockerSammyConfig(BaseSammyConfig):
+    """Configuration for Docker-based SAMMY execution."""
+
+    image_name: str
+    container_working_dir: Path = Path("/sammy/work")
+    container_data_dir: Path = Path("/sammy/data")
+
+    def validate(self) -> bool:
+        """
+        Validate Docker SAMMY configuration.
+
+        Returns:
+            bool: True if configuration is valid
+
+        Raises:
+            ConfigurationError: If configuration is invalid
+        """
+        # First validate base configuration
+        super().validate()
+
+        # Validate image name
+        if not self.image_name:
+            raise ConfigurationError("Docker image name cannot be empty")
+
+        # Validate container paths are absolute
+        if not self.container_working_dir.is_absolute():
+            raise ConfigurationError("Container working directory must be absolute path")
+        if not self.container_data_dir.is_absolute():
+            raise ConfigurationError("Container data directory must be absolute path")
+
+        # Validate container paths are different
+        if self.container_working_dir == self.container_data_dir:
+            raise ConfigurationError("Container working and data directories must be different")
+
+        return True
+
+
+@dataclass
+class NovaSammyConfig(BaseSammyConfig):
+    """Configuration for NOVA web service SAMMY execution."""
+
+    url: str
+    api_key: str
+    tool_id: str = "neutrons_imaging_sammy"
+    timeout: int = 3600  # Default 1 hour timeout in seconds
+
+    def validate(self) -> bool:
+        """
+        Validate NOVA SAMMY configuration.
+
+        Returns:
+            bool: True if configuration is valid
+
+        Raises:
+            ConfigurationError: If configuration is invalid
+        """
+        # Validate base configuration (directories)
+        super().validate()
+
+        # Validate URL
+        if not self.url:
+            raise ConfigurationError("NOVA service URL cannot be empty")
+
+        # Simple URL format check
+        if not self.url.startswith("https://"):
+            raise ConfigurationError("Invalid URL format - must start with https://")
+
+        # Validate API key
+        if not self.api_key:
+            raise ConfigurationError("API key cannot be empty")
+
+        # Validate tool ID
+        if not self.tool_id:
+            raise ConfigurationError("Tool ID cannot be empty")
+
+        # Validate timeout
+        if self.timeout <= 0:
+            raise ConfigurationError(f"Invalid timeout value: {self.timeout}")
+
+        return True
diff --git a/src/pleiades/sammy/factory.py b/src/pleiades/sammy/factory.py
new file mode 100644
index 0000000..f4ba5df
--- /dev/null
+++ b/src/pleiades/sammy/factory.py
@@ -0,0 +1,488 @@
+#!/usr/bin/env python
+"""Auto setup sammy runner with factory"""
+
+import logging
+import os
+import re
+import shutil
+import subprocess
+from enum import Enum
+from pathlib import Path
+from typing import Dict, Optional, Union
+
+import yaml
+
+from pleiades.sammy.backends.docker import DockerSammyRunner
+from pleiades.sammy.backends.local import LocalSammyRunner
+from pleiades.sammy.backends.nova_ornl import NovaSammyRunner
+from pleiades.sammy.config import DockerSammyConfig, LocalSammyConfig, NovaSammyConfig
+from pleiades.sammy.interface import SammyFiles, SammyRunner
+
+logger = logging.getLogger(__name__)
+
+
+class BackendType(Enum):
+    """Supported SAMMY backend types."""
+
+    LOCAL = "local"
+    DOCKER = "docker"
+    NOVA = "nova"
+
+
+class FactoryError(Exception):
+    """Base exception for factory errors."""
+
+    pass
+
+
+class BackendNotAvailableError(FactoryError):
+    """Requested backend not available."""
+
+    pass
+
+
+class ConfigurationError(FactoryError):
+    """Configuration error."""
+
+    pass
+
+
+class SammyFactory:
+    """Factory for creating and managing SAMMY runners."""
+
+    @staticmethod
+    def list_available_backends() -> Dict[BackendType, bool]:
+        """
+        Check which backends are available in the current environment.
+
+        Returns:
+            Dict mapping backend types to their availability status
+
+        Example:
+            >>> SammyFactory.list_available_backends()
+            {
+                BackendType.LOCAL: True,
+                BackendType.DOCKER: True,
+                BackendType.NOVA: False
+            }
+        """
+        available = {}
+
+        # Check Local backend
+        try:
+            sammy_path = shutil.which("sammy")
+            available[BackendType.LOCAL] = sammy_path is not None
+            if sammy_path:
+                logger.debug(f"Local SAMMY found at: {sammy_path}")
+        except Exception as e:
+            logger.debug(f"Error checking local backend: {str(e)}")
+            available[BackendType.LOCAL] = False
+
+        # Check Docker backend
+        try:
+            docker_available = shutil.which("docker") is not None
+            if docker_available:
+                # Check if we can run docker
+                result = subprocess.run(["docker", "info"], capture_output=True, text=True)
+                docker_available = result.returncode == 0
+            available[BackendType.DOCKER] = docker_available
+            if docker_available:
+                logger.debug("Docker backend available")
+        except Exception as e:
+            logger.debug(f"Error checking docker backend: {str(e)}")
+            available[BackendType.DOCKER] = False
+
+        # Check NOVA backend
+        try:
+            nova_available = all(k in os.environ for k in ["NOVA_URL", "NOVA_API_KEY"])
+            available[BackendType.NOVA] = nova_available
+            if nova_available:
+                logger.debug("NOVA credentials found")
+        except Exception as e:
+            logger.debug(f"Error checking NOVA backend: {str(e)}")
+            available[BackendType.NOVA] = False
+
+        return available
+
+    @classmethod
+    def create_runner(
+        cls, backend_type: str, working_dir: Path, output_dir: Optional[Path] = None, **kwargs
+    ) -> SammyRunner:
+        """
+        Create a SAMMY runner with the specified backend and configuration.
+
+        Args:
+            backend_type: Type of backend ("local", "docker", or "nova")
+            working_dir: Working directory for SAMMY execution
+            output_dir: Output directory for SAMMY results (defaults to working_dir/output)
+            **kwargs: Backend-specific configuration options:
+                Local backend:
+                    sammy_executable: Path to SAMMY executable
+                    shell_path: Path to shell
+                Docker backend:
+                    image_name: Docker image name
+                    container_working_dir: Working directory in container
+                    container_data_dir: Data directory in container
+                NOVA backend:
+                    url: NOVA service URL
+                    api_key: NOVA API key
+                    tool_id: SAMMY tool ID
+                    timeout: Request timeout in seconds
+
+        Returns:
+            Configured SammyRunner instance
+
+        Raises:
+            BackendNotAvailableError: If requested backend is not available
+            ConfigurationError: If configuration is invalid
+        """
+        try:
+            # Convert string to enum
+            try:
+                backend = BackendType(backend_type.lower())
+            except ValueError:
+                raise ConfigurationError(f"Invalid backend type: {backend_type}")
+
+            # Check backend availability
+            available_backends = cls.list_available_backends()
+            if not available_backends[backend]:
+                raise BackendNotAvailableError(f"Backend {backend.value} is not available")
+
+            # Set default output directory if not specified
+            if output_dir is None:
+                output_dir = working_dir / "output"
+
+            # Convert to Path objects
+            working_dir = Path(working_dir)
+            output_dir = Path(output_dir)
+
+            # Create appropriate configuration and runner based on backend
+            if backend == BackendType.LOCAL:
+                config = LocalSammyConfig(
+                    working_dir=working_dir,
+                    output_dir=output_dir,
+                    sammy_executable=kwargs.get("sammy_executable", "sammy"),
+                    shell_path=kwargs.get("shell_path", Path("/bin/bash")),
+                )
+                runner = LocalSammyRunner(config)
+
+            elif backend == BackendType.DOCKER:
+                config = DockerSammyConfig(
+                    working_dir=working_dir,
+                    output_dir=output_dir,
+                    image_name=kwargs.get("image_name", "kedokudo/sammy-docker"),
+                    container_working_dir=Path(kwargs.get("container_working_dir", "/sammy/work")),
+                    container_data_dir=Path(kwargs.get("container_data_dir", "/sammy/data")),
+                )
+                runner = DockerSammyRunner(config)
+
+            elif backend == BackendType.NOVA:
+                # For NOVA, try environment variables if not in kwargs
+                url = kwargs.get("url") or os.environ.get("NOVA_URL")
+                api_key = kwargs.get("api_key") or os.environ.get("NOVA_API_KEY")
+                if not url or not api_key:
+                    raise ConfigurationError("NOVA URL and API key must be provided")
+
+                config = NovaSammyConfig(
+                    working_dir=working_dir,
+                    output_dir=output_dir,
+                    url=url,
+                    api_key=api_key,
+                    tool_id=kwargs.get("tool_id", "neutrons_imaging_sammy"),
+                    timeout=kwargs.get("timeout", 3600),
+                )
+                runner = NovaSammyRunner(config)
+
+            # Validate configuration
+            config.validate()
+            return runner
+
+        except Exception as e:
+            if not isinstance(e, (BackendNotAvailableError, ConfigurationError)):
+                logger.exception("Unexpected error creating runner")
+                raise ConfigurationError(f"Failed to create runner: {str(e)}")
+            raise
+
+    @classmethod
+    def from_config(cls, config_path: Union[str, Path]) -> SammyRunner:
+        """
+        Create a SAMMY runner from a configuration file.
+
+        Args:
+            config_path: Path to YAML configuration file
+
+        Returns:
+            Configured SammyRunner instance
+
+        Raises:
+            ConfigurationError: If configuration file is invalid or missing
+            BackendNotAvailableError: If requested backend is not available
+
+        Example config file:
+            backend: local
+            working_dir: /path/to/work
+            output_dir: /path/to/output
+
+            local:
+                sammy_executable: /path/to/sammy
+                shell_path: /bin/bash
+
+            docker:
+                image_name: kedokudo/sammy-docker
+                container_working_dir: /sammy/work
+                container_data_dir: /sammy/data
+
+            nova:
+                url: ${NOVA_URL}
+                api_key: ${NOVA_API_KEY}
+                tool_id: neutrons_imaging_sammy
+                timeout: 3600
+        """
+        try:
+            # Load and parse configuration file
+            config_path = Path(config_path)
+            if not config_path.exists():
+                raise ConfigurationError(f"Configuration file not found: {config_path}")
+
+            with open(config_path) as f:
+                try:
+                    config = yaml.safe_load(f)
+                except yaml.YAMLError as e:
+                    raise ConfigurationError(f"Invalid YAML format: {str(e)}")
+
+            # Validate basic structure
+            if not isinstance(config, dict):
+                raise ConfigurationError("Configuration must be a dictionary")
+
+            required_fields = {"backend", "working_dir"}
+            missing_fields = required_fields - set(config.keys())
+            if missing_fields:
+                raise ConfigurationError(f"Missing required fields: {missing_fields}")
+
+            # Handle environment variable expansion
+            def expand_env_vars(value: str) -> str:
+                """Expand environment variables in string values."""
+                if isinstance(value, str) and "${" in value:
+                    pattern = r"\${([^}]+)}"
+                    matches = re.finditer(pattern, value)
+                    for match in matches:
+                        env_var = match.group(1)
+                        env_value = os.environ.get(env_var)
+                        if env_value is None:
+                            raise ConfigurationError(f"Environment variable not found: {env_var}")
+                        value = value.replace(f"${{{env_var}}}", env_value)
+                return value
+
+            # Process configuration recursively
+            def process_config(cfg):
+                """Recursively process configuration dictionary."""
+                if isinstance(cfg, dict):
+                    return {k: process_config(v) for k, v in cfg.items()}
+                elif isinstance(cfg, list):
+                    return [process_config(v) for v in cfg]
+                elif isinstance(cfg, str):
+                    return expand_env_vars(cfg)
+                return cfg
+
+            config = process_config(config)
+
+            # Convert paths
+            working_dir = Path(config["working_dir"])
+            output_dir = Path(config.get("output_dir", working_dir / "output"))
+
+            # Get backend-specific configuration
+            backend_type = config["backend"].lower()
+            backend_config = config.get(backend_type, {})
+
+            # Create runner using create_runner
+            return cls.create_runner(
+                backend_type=backend_type, working_dir=working_dir, output_dir=output_dir, **backend_config
+            )
+
+        except Exception as e:
+            if not isinstance(e, (ConfigurationError, BackendNotAvailableError)):
+                logger.exception("Unexpected error loading configuration")
+                raise ConfigurationError(f"Failed to load configuration: {str(e)}")
+            raise
+
+    @classmethod
+    def auto_select(
+        cls, working_dir: Path, output_dir: Optional[Path] = None, preferred_backend: Optional[str] = None, **kwargs
+    ) -> SammyRunner:
+        """
+        Auto-select and configure the best available SAMMY backend.
+
+        The selection priority (unless overridden by preferred_backend):
+        1. Local installation (fastest, simplest)
+        2. Docker container (portable, isolated)
+        3. NOVA web service (no local installation needed)
+
+        Args:
+            working_dir: Working directory for SAMMY execution
+            output_dir: Optional output directory (defaults to working_dir/output)
+            preferred_backend: Optional preferred backend type ("local", "docker", "nova")
+            **kwargs: Backend-specific configuration options
+
+        Returns:
+            Configured SammyRunner instance
+
+        Raises:
+            BackendNotAvailableError: If no suitable backend is available
+            ConfigurationError: If configuration is invalid
+
+        Examples:
+            >>> runner = SammyFactory.auto_select(
+            ...     working_dir="/path/to/work",
+            ...     preferred_backend="docker",
+            ...     image_name="custom/sammy:latest"
+            ... )
+        """
+        # Check available backends
+        available = cls.list_available_backends()
+        logger.debug(f"Available backends: {[b.value for b, v in available.items() if v]}")
+
+        # If preferred backend specified, try it first
+        if preferred_backend:
+            try:
+                preferred = BackendType(preferred_backend.lower())
+                if available[preferred]:
+                    logger.info(f"Using preferred backend: {preferred.value}")
+                    return cls.create_runner(
+                        backend_type=preferred.value, working_dir=working_dir, output_dir=output_dir, **kwargs
+                    )
+                else:
+                    logger.warning(f"Preferred backend {preferred.value} not available, " "trying alternatives")
+            except ValueError:
+                raise ConfigurationError(f"Invalid preferred backend: {preferred_backend}")
+
+        # Try backends in priority order
+        backend_priority = [
+            BackendType.LOCAL,  # Fastest, simplest
+            BackendType.DOCKER,  # Portable, isolated
+            BackendType.NOVA,  # No local installation
+        ]
+
+        errors = []
+        for backend in backend_priority:
+            if available[backend]:
+                try:
+                    logger.info(f"Attempting to use {backend.value} backend")
+                    return cls.create_runner(
+                        backend_type=backend.value, working_dir=working_dir, output_dir=output_dir, **kwargs
+                    )
+                except Exception as e:
+                    logger.warning(f"Failed to configure {backend.value} backend: {str(e)}")
+                    errors.append(f"{backend.value}: {str(e)}")
+                    continue
+
+        # If we get here, no backend was successfully configured
+        error_details = "\n".join(errors)
+        raise BackendNotAvailableError(f"No suitable backend available. Errors encountered:\n{error_details}")
+
+
+if __name__ == "__main__":
+    import sys
+
+    # Setup logging
+    logging.basicConfig(level=logging.INFO, format="%(asctime)s - %(levelname)s - %(message)s")
+
+    # Example paths
+    test_data_dir = Path(__file__).parents[3] / "tests/data/ex012"
+    working_dir = Path.home() / "tmp" / "sammy_factory_test"
+    output_dir = working_dir / "output"
+
+    # Example configuration file
+    example_config = """
+backend: docker
+working_dir: {working_dir}
+output_dir: {output_dir}
+
+local:
+    sammy_executable: sammy
+    shell_path: /bin/bash
+
+docker:
+    image_name: kedokudo/sammy-docker
+    container_working_dir: /sammy/work
+    container_data_dir: /sammy/data
+
+nova:
+    url: ${{NOVA_URL}}
+    api_key: ${{NOVA_API_KEY}}
+    tool_id: neutrons_imaging_sammy
+    timeout: 3600
+"""
+
+    try:
+        print("\n=== SAMMY Factory Examples ===\n")
+
+        # List available backends
+        print("Checking available backends...")
+        available = SammyFactory.list_available_backends()
+        print("Available backends:")
+        for backend, is_available in available.items():
+            print(f"  {backend.value}: {'✓' if is_available else '✗'}")
+
+        print("\n1. Create runner directly...")
+        runner1 = SammyFactory.create_runner(backend_type="local", working_dir=working_dir, output_dir=output_dir)
+        print(f"Created runner: {type(runner1).__name__}")
+
+        print("\n2. Create runner from config file...")
+        # Write example config
+        config_file = working_dir / "sammy_config.yaml"
+        working_dir.mkdir(parents=True, exist_ok=True)
+        config_file.write_text(example_config.format(working_dir=working_dir, output_dir=output_dir))
+        runner2 = SammyFactory.from_config(config_file)
+        print(f"Created runner: {type(runner2).__name__}")
+
+        print("\n3. Auto-select backend...")
+        runner3 = SammyFactory.auto_select(working_dir=working_dir, output_dir=output_dir)
+        print(f"Selected backend: {type(runner3).__name__}")
+
+        print("\n4. Test complete runner workflow...")
+        # Create files container
+        files = SammyFiles(
+            input_file=test_data_dir / "ex012a.inp",
+            parameter_file=test_data_dir / "ex012a.par",
+            data_file=test_data_dir / "ex012a.dat",
+        )
+
+        # Execute SAMMY using auto-selected backend
+        runner = SammyFactory.auto_select(
+            working_dir=working_dir,
+            output_dir=output_dir,
+            preferred_backend="local",  # Try local first
+        )
+
+        print(f"Using runner: {type(runner).__name__}")
+        print(f"Working directory: {working_dir}")
+        print(f"Output directory: {output_dir}")
+
+        # Execute pipeline
+        print("\nPreparing environment...")
+        runner.prepare_environment(files)
+
+        print("Executing SAMMY...")
+        result = runner.execute_sammy(files)
+
+        # Process results
+        if result.success:
+            print(f"\nSAMMY execution successful (runtime: {result.runtime_seconds:.2f}s)")
+            runner.collect_outputs(result)
+            print(f"Output files available in: {output_dir}")
+        else:
+            print("\nSAMMY execution failed:")
+            print(result.error_message)
+            print("\nConsole output:")
+            print(result.console_output)
+
+    except Exception as e:
+        print(f"\nError: {str(e)}", file=sys.stderr)
+        logging.exception("Example execution failed")
+        sys.exit(1)
+
+    finally:
+        if "runner" in locals():
+            runner.cleanup()
+
+    print("\nExamples completed successfully")
diff --git a/src/pleiades/sammy/interface.py b/src/pleiades/sammy/interface.py
new file mode 100644
index 0000000..211ca87
--- /dev/null
+++ b/src/pleiades/sammy/interface.py
@@ -0,0 +1,297 @@
+#!/usr/env/bin python
+"""
+Interface definitions for SAMMY execution system.
+
+This module defines the core interfaces and data structures used across
+all SAMMY backend implementations.
+"""
+
+import logging
+import os
+from abc import ABC, abstractmethod
+from dataclasses import dataclass
+from datetime import datetime
+from enum import Enum, auto
+from pathlib import Path
+from typing import Optional
+
+logger = logging.getLogger(__name__)
+
+SAMMY_OUTPUT_FILES = {
+    "SAMMY.LPT",  # Log file
+    "SAMMIE.ODF",  # Output data file
+    "SAMNDF.PAR",  # Updated parameter file
+    "SAMRESOLVED.PAR",  # Additional parameter file
+}
+
+
+class SammyBackendType(Enum):
+    """Enumeration of available SAMMY backend types."""
+
+    LOCAL = auto()
+    DOCKER = auto()
+    NOVA = auto()
+
+
+@dataclass
+class SammyFiles:
+    """Container for SAMMY input files."""
+
+    input_file: Path
+    parameter_file: Path
+    data_file: Path
+
+    def validate(self) -> None:
+        """
+        Validate that all required input files exist.
+
+        Raises:
+            FileNotFoundError: If any required file is missing
+        """
+        for field_name, file_path in self.__dict__.items():
+            if not file_path.exists():
+                raise FileNotFoundError(f"{field_name.replace('_', ' ').title()} not found: {file_path}")
+            if not file_path.is_file():
+                raise FileNotFoundError(f"{field_name.replace('_', ' ').title()} is not a file: {file_path}")
+
+
+@dataclass
+class SammyExecutionResult:
+    """Detailed results of a SAMMY execution."""
+
+    success: bool
+    execution_id: str  # Unique identifier for this run
+    start_time: datetime
+    end_time: datetime
+    console_output: str
+    error_message: Optional[str] = None
+
+    @property
+    def runtime_seconds(self) -> float:
+        """Calculate execution time in seconds."""
+        return (self.end_time - self.start_time).total_seconds()
+
+
+@dataclass
+class BaseSammyConfig(ABC):
+    """Base configuration for all SAMMY backends."""
+
+    working_dir: Path  # Directory for SAMMY execution
+    output_dir: Path  # Directory for SAMMY outputs
+
+    def prepare_directories(self) -> None:
+        """
+        Create and prepare required directories.
+
+        Raises:
+            ConfigurationError: If directory creation fails
+        """
+        try:
+            # Create working directory if it doesn't exist
+            self.working_dir.mkdir(parents=True, exist_ok=True)
+
+            # Create output directory if it doesn't exist
+            self.output_dir.mkdir(parents=True, exist_ok=True)
+
+        except Exception as e:
+            raise ConfigurationError(f"Failed to create directories: {str(e)}")
+
+    def validate(self) -> bool:
+        """
+        Validate the configuration.
+
+        Returns:
+            bool: True if configuration is valid
+
+        Raises:
+            ConfigurationError: If configuration is invalid
+        """
+        # Create directories first
+        self.prepare_directories()
+
+        # Validate working directory is writable
+        if not os.access(self.working_dir, os.W_OK):
+            raise ConfigurationError(f"Working directory not writable: {self.working_dir}")
+
+        # Validate output directory is writable
+        if not os.access(self.output_dir, os.W_OK):
+            raise ConfigurationError(f"Output directory not writable: {self.output_dir}")
+
+        return True
+
+
+class SammyRunner(ABC):
+    """Abstract base class for SAMMY execution backends."""
+
+    def __init__(self, config: BaseSammyConfig):
+        self.config = config
+        self.logger = logging.getLogger(f"{__name__}.{self.__class__.__name__}")
+
+    @abstractmethod
+    def prepare_environment(self, files: SammyFiles) -> None:
+        """
+        Prepare the execution environment.
+
+        Args:
+            files: Container with file information
+
+        Raises:
+            EnvironmentPreparationError: If preparation fails
+        """
+        raise NotImplementedError
+
+    @abstractmethod
+    def execute_sammy(self, files: SammyFiles) -> SammyExecutionResult:
+        """
+        Execute SAMMY with prepared files.
+
+        Args:
+            files: Container with validated and prepared files
+
+        Returns:
+            Execution results including status and outputs
+
+        Raises:
+            SammyExecutionError: If execution fails
+        """
+        raise NotImplementedError
+
+    @abstractmethod
+    def cleanup(self, files: SammyFiles) -> None:
+        """
+        Clean up resources after execution.
+
+        Args:
+            files: Container with file information
+
+        Raises:
+            CleanupError: If cleanup fails
+        """
+        raise NotImplementedError
+
+    async def __aenter__(self) -> "SammyRunner":
+        """Allow usage as async context manager."""
+        return self
+
+    async def __aexit__(self, exc_type, exc_val, exc_tb) -> None:
+        """Ensure cleanup on context exit."""
+        if hasattr(self, "files"):
+            await self.cleanup(self.files)
+
+    @abstractmethod
+    def validate_config(self) -> bool:
+        """
+        Validate backend configuration.
+
+        Returns:
+            bool: True if configuration is valid
+
+        Raises:
+            ConfigurationError: If configuration is invalid
+        """
+        raise NotImplementedError
+
+    def collect_outputs(self, result: SammyExecutionResult) -> None:
+        """
+        Collect and validate output files after execution.
+
+        Args:
+            result: Execution result containing status information
+
+        Raises:
+            OutputCollectionError: If output collection fails
+        """
+        collection_start = datetime.now()
+        logger.info(f"Collecting outputs for execution {result.execution_id}")
+
+        try:
+            self._moved_files = []
+            found_outputs = set()
+
+            # First check for known output files
+            for known_file in SAMMY_OUTPUT_FILES:
+                output_file = self.config.working_dir / known_file
+                if output_file.is_file():
+                    found_outputs.add(output_file)
+                    logger.debug(f"Found known output file: {known_file}")
+
+            # Then look for any additional SAM* files
+            for output_file in self.config.working_dir.glob("SAM*"):
+                if output_file.is_file() and output_file not in found_outputs:
+                    found_outputs.add(output_file)
+                    logger.debug(f"Found additional output file: {output_file.name}")
+
+            if not found_outputs:
+                logger.warning("No SAMMY output files found")
+                if result.success:
+                    logger.error("SAMMY reported success but produced no output files")
+                return
+
+            # Move all found outputs
+            for output_file in found_outputs:
+                dest = self.config.output_dir / output_file.name
+                try:
+                    if dest.exists():
+                        logger.debug(f"Removing existing output file: {dest}")
+                        dest.unlink()
+                    output_file.rename(dest)
+                    self._moved_files.append(dest)
+                    logger.debug(f"Moved {output_file} to {dest}")
+                except OSError as e:
+                    self._rollback_moves()
+                    raise OutputCollectionError(f"Failed to move output file {output_file}: {str(e)}")
+
+            logger.info(
+                f"Successfully collected {len(self._moved_files)} output files in "
+                f"{(datetime.now() - collection_start).total_seconds():.2f} seconds"
+            )
+
+        except Exception as e:
+            self._rollback_moves()
+            raise OutputCollectionError(f"Output collection failed: {str(e)}")
+
+    def _rollback_moves(self) -> None:
+        """Rollback any moved files in case of error."""
+        for moved_file in self._moved_files:
+            try:
+                original = self.config.working_dir / moved_file.name
+                moved_file.rename(original)
+            except Exception as e:
+                logger.error(f"Failed to rollback move for {moved_file}: {str(e)}")
+
+
+# Custom exceptions
+class SammyError(Exception):
+    """Base exception for SAMMY-related errors."""
+
+    pass
+
+
+class EnvironmentPreparationError(SammyError):
+    """Raised when environment preparation fails."""
+
+    pass
+
+
+class SammyExecutionError(SammyError):
+    """Raised when SAMMY execution fails."""
+
+    pass
+
+
+class OutputCollectionError(SammyError):
+    """Raised when output collection fails."""
+
+    pass
+
+
+class ConfigurationError(SammyError):
+    """Raised when configuration is invalid."""
+
+    pass
+
+
+class CleanupError(SammyError):
+    """Raised when cleanup fails."""
+
+    pass
diff --git a/src/pleiades/sammy/parameters/__init__.py b/src/pleiades/sammy/parameters/__init__.py
new file mode 100644
index 0000000..098e457
--- /dev/null
+++ b/src/pleiades/sammy/parameters/__init__.py
@@ -0,0 +1,5 @@
+from pleiades.sammy.parameters.broadening import BroadeningParameterCard  # noqa: F401
+from pleiades.sammy.parameters.external_r import ExternalREntry  # noqa: F401
+from pleiades.sammy.parameters.normalization import NormalizationBackgroundCard  # noqa: F401
+from pleiades.sammy.parameters.resonance import ResonanceEntry  # noqa: F401
+from pleiades.sammy.parameters.unused_var import UnusedCorrelatedCard  # noqa: F401
diff --git a/src/pleiades/sammy/parameters/broadening.py b/src/pleiades/sammy/parameters/broadening.py
new file mode 100644
index 0000000..ca893df
--- /dev/null
+++ b/src/pleiades/sammy/parameters/broadening.py
@@ -0,0 +1,402 @@
+#!/usr/bin/env python
+"""Data class for card 04::broadening parameters."""
+
+import logging
+from typing import List, Optional
+
+from pydantic import BaseModel, Field, model_validator
+
+from pleiades.sammy.parameters.helper import VaryFlag, format_float, format_vary, safe_parse
+
+# Format definitions for fixed-width fields
+# Each numeric field follows a 9+1 pattern:
+#   - 9 characters for the actual data (e.g. "1.2340E+00")
+#   - 1 character for space separator
+# This maintains human readability while ensuring fixed-width alignment
+
+FORMAT_MAIN = {
+    "crfn": slice(0, 10),  # Matching radius (F)
+    "temp": slice(10, 20),  # Effective temperature (K)
+    "thick": slice(20, 30),  # Sample thickness (atoms/barn)
+    "deltal": slice(30, 40),  # Spread in flight-path length (m)
+    "deltag": slice(40, 50),  # Gaussian resolution width (μs)
+    "deltae": slice(50, 60),  # e-folding width of exponential resolution (μs)
+    "flag_crfn": slice(60, 62),  # Flag for CRFN
+    "flag_temp": slice(62, 64),  # Flag for TEMP
+    "flag_thick": slice(64, 66),  # Flag for THICK
+    "flag_deltal": slice(66, 68),  # Flag for DELTAL
+    "flag_deltag": slice(68, 70),  # Flag for DELTAG
+    "flag_deltae": slice(70, 72),  # Flag for DELTAE
+}
+
+FORMAT_UNCERTAINTY = {
+    "d_crfn": slice(0, 10),  # Uncertainty on CRFN
+    "d_temp": slice(10, 20),  # Uncertainty on TEMP
+    "d_thick": slice(20, 30),  # Uncertainty on THICK
+    "d_deltal": slice(30, 40),  # Uncertainty on DELTAL
+    "d_deltag": slice(40, 50),  # Uncertainty on DELTAG
+    "d_deltae": slice(50, 60),  # Uncertainty on DELTAE
+}
+
+FORMAT_GAUSSIAN = {
+    "deltc1": slice(0, 10),  # Width of Gaussian, constant in energy (eV)
+    "deltc2": slice(10, 20),  # Width of Gaussian, linear in energy (unitless)
+    "flag_deltc1": slice(60, 62),  # Flag for DELTC1
+    "flag_deltc2": slice(62, 64),  # Flag for DELTC2
+}
+
+FORMAT_GAUSSIAN_UNC = {
+    "d_deltc1": slice(0, 10),  # Uncertainty on DELTC1
+    "d_deltc2": slice(10, 20),  # Uncertainty on DELTC2
+}
+
+CARD_4_HEADER = "BROADening parameters may be varied"
+
+
+class BroadeningParameters(BaseModel):
+    """Container for a single set of broadening parameters.
+
+    Contains all parameters from a single card set 4 entry including:
+    - Main parameters (CRFN, TEMP, etc.)
+    - Their uncertainties
+    - Additional Gaussian parameters
+    - Flags indicating whether each parameter should be varied
+
+    Note on fixed-width format:
+    Each numeric field in the file uses a 10-column width with a 9+1 pattern:
+    - 9 characters for the actual numeric data (e.g. "1.2340E+00")
+    - 1 character for space separator
+    This format ensures human readability while maintaining proper fixed-width alignment.
+    """
+
+    # Main parameters
+    crfn: float = Field(description="Matching radius (F)")
+    temp: float = Field(description="Effective temperature (K)")
+    thick: float = Field(description="Sample thickness (atoms/barn)")
+    deltal: float = Field(description="Spread in flight-path length (m)")
+    deltag: float = Field(description="Gaussian resolution width (μs)")
+    deltae: float = Field(description="e-folding width of exponential resolution (μs)")
+
+    # Optional uncertainties for main parameters
+    d_crfn: Optional[float] = Field(None, description="Uncertainty on CRFN")
+    d_temp: Optional[float] = Field(None, description="Uncertainty on TEMP")
+    d_thick: Optional[float] = Field(None, description="Uncertainty on THICK")
+    d_deltal: Optional[float] = Field(None, description="Uncertainty on DELTAL")
+    d_deltag: Optional[float] = Field(None, description="Uncertainty on DELTAG")
+    d_deltae: Optional[float] = Field(None, description="Uncertainty on DELTAE")
+
+    # Optional additional Gaussian parameters
+    deltc1: Optional[float] = Field(None, description="Width of Gaussian, constant in energy (eV)")
+    deltc2: Optional[float] = Field(None, description="Width of Gaussian, linear in energy (unitless)")
+    d_deltc1: Optional[float] = Field(None, description="Uncertainty on DELTC1")
+    d_deltc2: Optional[float] = Field(None, description="Uncertainty on DELTC2")
+
+    # Vary flags for all parameters
+    flag_crfn: VaryFlag = Field(default=VaryFlag.NO)
+    flag_temp: VaryFlag = Field(default=VaryFlag.NO)
+    flag_thick: VaryFlag = Field(default=VaryFlag.NO)
+    flag_deltal: VaryFlag = Field(default=VaryFlag.NO)
+    flag_deltag: VaryFlag = Field(default=VaryFlag.NO)
+    flag_deltae: VaryFlag = Field(default=VaryFlag.NO)
+    flag_deltc1: Optional[VaryFlag] = Field(None)
+    flag_deltc2: Optional[VaryFlag] = Field(None)
+
+    @model_validator(mode="after")
+    def validate_gaussian_parameters(self) -> "BroadeningParameters":
+        """Validate that if any Gaussian parameter is present, both are present."""
+        has_deltc1 = self.deltc1 is not None
+        has_deltc2 = self.deltc2 is not None
+        if has_deltc1 != has_deltc2:
+            raise ValueError("Both DELTC1 and DELTC2 must be present if either is present")
+        if has_deltc1:
+            if self.flag_deltc1 is None or self.flag_deltc2 is None:
+                raise ValueError("Flags must be specified for DELTC1 and DELTC2 if present")
+        return self
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "BroadeningParameters":
+        """Parse broadening parameters from a list of fixed-width format lines.
+
+        Args:
+            lines: List of input lines (excluding header)
+
+        Returns:
+            BroadeningParameters: Parsed parameters
+
+        Raises:
+            ValueError: If lines are invalid or required data is missing
+        """
+        if not lines or not lines[0].strip():
+            raise ValueError("No valid parameter line provided")
+
+        # Make sure first line is long enough
+        main_line = f"{lines[0]:<72}"
+
+        params = {}
+
+        # Parse main parameters
+        for field in ["crfn", "temp", "thick", "deltal", "deltag", "deltae"]:
+            value = safe_parse(main_line[FORMAT_MAIN[field]])
+            if value is not None:
+                params[field] = value
+
+        # Parse vary flags
+        for field in ["flag_crfn", "flag_temp", "flag_thick", "flag_deltal", "flag_deltag", "flag_deltae"]:
+            value = main_line[FORMAT_MAIN[field]].strip() or "0"
+            try:
+                params[field] = VaryFlag(int(value))
+            except (ValueError, TypeError):
+                params[field] = VaryFlag.NO
+
+        # Parse uncertainties if present
+        if len(lines) > 1 and lines[1].strip():
+            unc_line = f"{lines[1]:<60}"
+            for field in ["d_crfn", "d_temp", "d_thick", "d_deltal", "d_deltag", "d_deltae"]:
+                value = safe_parse(unc_line[FORMAT_UNCERTAINTY[field]])
+                if value is not None:
+                    params[field] = value
+
+        # Parse additional Gaussian parameters if present
+        if len(lines) > 2 and lines[2].strip():
+            gaussian_line = f"{lines[2]:<64}"
+
+            # Parse main Gaussian parameters
+            for field in ["deltc1", "deltc2"]:
+                value = safe_parse(gaussian_line[FORMAT_GAUSSIAN[field]])
+                if value is not None:
+                    params[field] = value
+
+            # Parse Gaussian flags
+            for field in ["flag_deltc1", "flag_deltc2"]:
+                value = gaussian_line[FORMAT_GAUSSIAN[field]].strip() or "0"
+                try:
+                    params[field] = VaryFlag(int(value))
+                except (ValueError, TypeError):
+                    params[field] = VaryFlag.NO
+
+            # Parse Gaussian uncertainties if present
+            if len(lines) > 3 and lines[3].strip():
+                gaussian_unc_line = f"{lines[3]:<20}"
+                for field in ["d_deltc1", "d_deltc2"]:
+                    value = safe_parse(gaussian_unc_line[FORMAT_GAUSSIAN_UNC[field]])
+                    if value is not None:
+                        params[field] = value
+
+        return cls(**params)
+
+    def to_lines(self) -> List[str]:
+        """Convert the parameters to a list of fixed-width format lines.
+
+        Returns:
+            List[str]: Lines representing the parameters
+        """
+        lines = []
+
+        # Format main parameter line
+        main_parts = [
+            format_float(self.crfn, width=9),
+            format_float(self.temp, width=9),
+            format_float(self.thick, width=9),
+            format_float(self.deltal, width=9),
+            format_float(self.deltag, width=9),
+            format_float(self.deltae, width=9),
+            format_vary(self.flag_crfn),
+            format_vary(self.flag_temp),
+            format_vary(self.flag_thick),
+            format_vary(self.flag_deltal),
+            format_vary(self.flag_deltag),
+            format_vary(self.flag_deltae),
+        ]
+        lines.append(" ".join(main_parts))
+
+        # Add uncertainties line if any uncertainties are present
+        if any(getattr(self, f"d_{param}") is not None for param in ["crfn", "temp", "thick", "deltal", "deltag", "deltae"]):
+            unc_parts = [
+                format_float(getattr(self, f"d_{param}", 0.0), width=10)
+                for param in ["crfn", "temp", "thick", "deltal", "deltag", "deltae"]
+            ]
+            lines.append("".join(unc_parts))
+
+        # Add Gaussian parameters if present
+        if self.deltc1 is not None and self.deltc2 is not None:
+            gaussian_parts = [
+                format_float(self.deltc1, width=10),
+                format_float(self.deltc2, width=10),
+                " " * 50,  # Padding
+                format_vary(self.flag_deltc1),
+                format_vary(self.flag_deltc2),
+            ]
+            lines.append("".join(gaussian_parts))
+
+            # Add Gaussian uncertainties if present
+            if self.d_deltc1 is not None or self.d_deltc2 is not None:
+                gaussian_unc_parts = [format_float(self.d_deltc1 or 0.0, width=10), format_float(self.d_deltc2 or 0.0, width=10)]
+                lines.append("".join(gaussian_unc_parts))
+
+        return lines
+
+
+class BroadeningParameterCard(BaseModel):
+    """Container for a complete broadening parameter card set (Card Set 4).
+
+    This class handles a complete broadening parameter card set, including:
+    - Header line
+    - Parameter entries
+    - Trailing blank line
+    """
+
+    parameters: BroadeningParameters
+
+    @classmethod
+    def is_header_line(cls, line: str) -> bool:
+        """Check if line is a valid header line.
+
+        Args:
+            line: Input line to check
+
+        Returns:
+            bool: True if line is a valid header
+        """
+        return line.strip().upper().startswith("BROAD")
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "BroadeningParameterCard":
+        """Parse a complete broadening parameter card set from lines.
+
+        Args:
+            lines: List of input lines including header
+
+        Returns:
+            BroadeningParameterCard: Parsed card set
+
+        Raises:
+            ValueError: If no valid header found or invalid format
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Validate header
+        if not cls.is_header_line(lines[0]):
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Parse parameters (skip header and trailing blank lines)
+        content_lines = [line for line in lines[1:] if line.strip()]
+        if not content_lines:
+            raise ValueError("No parameter lines found")
+
+        parameters = BroadeningParameters.from_lines(content_lines)
+        return cls(parameters=parameters)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card set to a list of lines.
+
+        Returns:
+            List[str]: Lines including header and parameters
+        """
+        lines = [CARD_4_HEADER]
+        lines.extend(self.parameters.to_lines())
+        lines.append("")  # Trailing blank line
+        return lines
+
+
+if __name__ == "__main__":
+    # Enable logging for debugging
+    logging.basicConfig(level=logging.DEBUG)
+
+    # Test example with main parameters only
+    logging.debug("**Testing main parameters only**")
+    main_only_lines = ["1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0"]
+
+    try:
+        params = BroadeningParameters.from_lines(main_only_lines)
+        logging.debug("Successfully parsed main parameters:")
+        logging.debug(f"CRFN: {params.crfn}")
+        logging.debug(f"TEMP: {params.temp}")
+        logging.debug("Output lines:")
+        for line in params.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse main parameters: {e}")
+
+    # Test example with uncertainties
+    logging.debug("**Testing with uncertainties**")
+    with_unc_lines = [
+        "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+        "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+    ]
+
+    try:
+        params = BroadeningParameters.from_lines(with_unc_lines)
+        logging.debug("Successfully parsed parameters with uncertainties:")
+        logging.debug(f"CRFN: {params.crfn} ± {params.d_crfn}")
+        logging.debug(f"TEMP: {params.temp} ± {params.d_temp}")
+        logging.debug("Output lines:")
+        for line in params.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse parameters with uncertainties: {e}")
+
+    # Test example with Gaussian parameters
+    logging.debug("**Testing with Gaussian parameters**")
+    full_lines = [
+        "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+        "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+        "1.000E-01 2.000E-02                                              1 1",
+        "5.000E-03 1.000E-03",
+    ]
+
+    try:
+        params = BroadeningParameters.from_lines(full_lines)
+        logging.debug("Successfully parsed full parameter set:")
+        logging.debug(f"DELTC1: {params.deltc1} ± {params.d_deltc1}")
+        logging.debug(f"DELTC2: {params.deltc2} ± {params.d_deltc2}")
+        logging.debug("Output lines:")
+        for line in params.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse full parameter set: {e}")
+
+    # Test complete card set
+    logging.debug("**Testing complete card set**")
+    card_lines = [
+        "BROADening parameters may be varied",
+        "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+        "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+        "1.000E-01 2.000E-02                                              1 1",
+        "5.000E-03 1.000E-03",
+        "",
+    ]
+
+    try:
+        card = BroadeningParameterCard.from_lines(card_lines)
+        logging.debug("Successfully parsed complete card set")
+        logging.debug("Output lines:")
+        for line in card.to_lines():
+            logging.debug(f"'{line}'")
+    except ValueError as e:
+        logging.error(f"Failed to parse complete card set: {e}")
+
+    # Test error handling
+    logging.debug("**Testing Error Handling**")
+
+    # Test invalid header
+    try:
+        bad_lines = ["WRONG header line", "1.2340E+00 2.9800E+02 1.5000E-01 2.5000E-02 1.0000E+00 5.0000E-01  1 0 1 0 1 0", ""]
+        logging.debug("Testing invalid header:")
+        BroadeningParameterCard.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for invalid header: {e}")
+
+    # Test invalid Gaussian parameters (missing one)
+    try:
+        bad_lines = [
+            "1.2340E+00 2.9800E+02 1.5000E-01 2.5000E-02 1.0000E+00 5.0000E-01  1 0 1 0 1 0",  ## 11 char instead of 10
+            "1.0000E-02 1.0000E+00 1.0000E-03 1.0000E-03 1.0000E-02 1.0000E-02",
+            "1.0000E-01                                                     1 1",  # Missing DELTC2
+        ]
+        BroadeningParameters.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for invalid Gaussian parameters: {e}")
diff --git a/src/pleiades/sammy/parameters/external_r.py b/src/pleiades/sammy/parameters/external_r.py
new file mode 100644
index 0000000..228017d
--- /dev/null
+++ b/src/pleiades/sammy/parameters/external_r.py
@@ -0,0 +1,429 @@
+#!/usr/bin/env python
+"""Data class for card 03::external R-function parameters."""
+
+import logging
+from enum import Enum
+from typing import List, Optional
+
+from pydantic import BaseModel, Field, model_validator
+
+from pleiades.sammy.parameters.helper import VaryFlag, format_float, format_vary, safe_parse
+
+
+class ExternalRFormat(Enum):
+    FORMAT_3 = "3"  # Standard format
+    FORMAT_3A = "3a"  # Alternative compact format
+
+
+# For Format 3
+FORMAT_3 = {
+    "spin_group": slice(0, 3),  # Fortran 1-3
+    "channel": slice(3, 5),  # Fortran 4-5
+    "E_down": slice(5, 16),  # Fortran 6-16
+    "E_up": slice(16, 27),  # Fortran 17-27
+    "R_con": slice(27, 38),  # Fortran 28-38
+    "R_lin": slice(38, 49),  # Fortran 39-49
+    "s_alpha": slice(49, 60),  # Fortran 50-60
+    "vary_E_down": slice(61, 62),  # Fortran 62
+    "vary_E_up": slice(63, 64),  # Fortran 64
+    "vary_R_con": slice(65, 66),  # Fortran 66
+    "vary_R_lin": slice(67, 68),  # Fortran 68
+    "vary_s_alpha": slice(69, 70),  # Fortran 70
+}
+
+# For Format 3a (compact format)
+FORMAT_3A = {
+    "spin_group": slice(0, 2),  # Fortran 1-2
+    "channel": slice(2, 3),  # Fortran 3
+    "vary_E_down": slice(3, 4),  # Fortran 4
+    "vary_E_up": slice(4, 5),  # Fortran 5
+    "vary_R_con": slice(5, 6),  # Fortran 6
+    "vary_R_lin": slice(6, 7),  # Fortran 7
+    "vary_s_con": slice(7, 8),  # Fortran 8
+    "vary_s_lin": slice(8, 9),  # Fortran 9
+    "vary_R_q": slice(9, 10),  # Fortran 10
+    "E_down": slice(10, 20),  # Fortran 11-20
+    "E_up": slice(20, 30),  # Fortran 21-30
+    "R_con": slice(30, 40),  # Fortran 31-40
+    "R_lin": slice(40, 50),  # Fortran 41-50
+    "s_con": slice(50, 60),  # Fortran 51-60
+    "s_lin": slice(60, 70),  # Fortran 61-70
+    "R_q": slice(70, 80),  # Fortran 71-80
+}
+
+CARD_3_HEADER = "EXTERnal R-function parameters follow"
+CARD_3A_HEADER = "R-EXTernal parameters follow"
+
+
+class ExternalREntry(BaseModel):
+    format_type: ExternalRFormat
+    # Common fields
+    spin_group: int
+    channel: int
+    E_down: float = Field(description="Logarithmic singularity below energy range (eV)")
+    E_up: float = Field(description="Logarithmic singularity above energy range (eV)")
+    R_con: float = Field(description="Constant term")
+    R_lin: float = Field(description="Linear term")
+
+    # Format 3 specific
+    s_alpha: Optional[float] = Field(None, description="Coefficient of logarithmic term (must be non-negative)", ge=0.0)
+    vary_s_alpha: Optional[VaryFlag] = Field(default=VaryFlag.NO)
+
+    # Format 3a specific
+    s_con: Optional[float] = Field(None, description="Constant coefficient of logarithmic term", ge=0.0)
+    s_lin: Optional[float] = Field(None, description="Linear coefficient of logarithmic term")
+    R_q: Optional[float] = Field(None, description="Quadratic term")
+    vary_s_con: Optional[VaryFlag] = Field(default=VaryFlag.NO)
+    vary_s_lin: Optional[VaryFlag] = Field(default=VaryFlag.NO)
+    vary_R_q: Optional[VaryFlag] = Field(default=VaryFlag.NO)
+
+    # Common vary flags
+    vary_E_down: VaryFlag = Field(default=VaryFlag.NO)
+    vary_E_up: VaryFlag = Field(default=VaryFlag.NO)
+    vary_R_con: VaryFlag = Field(default=VaryFlag.NO)
+    vary_R_lin: VaryFlag = Field(default=VaryFlag.NO)
+
+    @model_validator(mode="after")
+    def validate_format_specific_fields(self) -> "ExternalREntry":
+        if self.format_type == ExternalRFormat.FORMAT_3:
+            if self.s_alpha is None:
+                raise ValueError("s_alpha is required for Format 3")
+            if any(v is not None for v in [self.s_con, self.s_lin, self.R_q]):
+                raise ValueError("Format 3a specific fields should not be set for Format 3")
+        else:  # FORMAT_3A
+            if any(v is not None for v in [self.s_alpha]):
+                raise ValueError("Format 3 specific fields should not be set for Format 3a")
+            if any(v is None for v in [self.s_con, self.s_lin, self.R_q]):
+                raise ValueError("s_con, s_lin, and R_q are required for Format 3a")
+        return self
+
+    @classmethod
+    def from_str(cls, line: str, format_type: ExternalRFormat) -> "ExternalREntry":
+        """Parse an external R-function entry from a fixed-width format line.
+
+        Args:
+            line: Input line to parse
+            format_type: Format type to use
+
+        Returns:
+            ExternalREntry: Parsed entry
+
+        Raises:
+            ValueError: If line is empty or parsing fails
+        """
+        if not line.strip():
+            raise ValueError("Empty line provided")
+
+        # Make sure line is long enough by padding with spaces
+        line = f"{line:<80}"
+
+        # Select format based on type
+        format_layout = FORMAT_3 if format_type == ExternalRFormat.FORMAT_3 else FORMAT_3A
+
+        params = {"format_type": format_type}
+
+        # Parse integer fields
+        for field in ["spin_group", "channel"]:
+            value = safe_parse(line[format_layout[field]], as_int=True)
+            if value is not None:
+                params[field] = value
+
+        # Parse float fields common to both formats
+        for field in ["E_down", "E_up", "R_con", "R_lin"]:
+            value = safe_parse(line[format_layout[field]])
+            if value is not None:
+                params[field] = value
+
+        # Parse format-specific float fields
+        if format_type == ExternalRFormat.FORMAT_3:
+            value = safe_parse(line[format_layout["s_alpha"]])
+            if value is not None:
+                params["s_alpha"] = value
+        else:  # FORMAT_3A
+            for field in ["s_con", "s_lin", "R_q"]:
+                value = safe_parse(line[format_layout[field]])
+                if value is not None:
+                    params[field] = value
+
+        # Parse common vary flags
+        for field in ["vary_E_down", "vary_E_up", "vary_R_con", "vary_R_lin"]:
+            value = line[format_layout[field]].strip() or "0"
+            try:
+                params[field] = VaryFlag(int(value))
+            except (ValueError, TypeError):
+                params[field] = VaryFlag.NO
+
+        # Parse format-specific vary flags
+        if format_type == ExternalRFormat.FORMAT_3:
+            try:
+                value = int(line[format_layout["vary_s_alpha"]].strip() or "0")
+                params["vary_s_alpha"] = VaryFlag(value)
+            except (ValueError, TypeError):
+                params["vary_s_alpha"] = VaryFlag.NO
+        else:  # FORMAT_3A
+            for field in ["vary_s_con", "vary_s_lin", "vary_R_q"]:
+                try:
+                    value = int(line[format_layout[field]].strip() or "0")
+                    params[field] = VaryFlag(value)
+                except (ValueError, TypeError):
+                    params[field] = VaryFlag.NO
+
+        return cls(**params)
+
+    def to_str(self) -> str:
+        """Convert the external R-function entry to fixed-width format string."""
+        if self.format_type == ExternalRFormat.FORMAT_3:
+            # Format 3 has specific spacing requirements
+            parts = [
+                f"{self.spin_group:2d} ",  # 3 digits
+                f"{self.channel:1d} ",  # 2 digits
+                format_float(self.E_down, width=11),  # 11 chars
+                format_float(self.E_up, width=11),  # 11 chars
+                format_float(self.R_con, width=11),  # 11 chars
+                format_float(self.R_lin, width=11),  # 11 chars
+                format_float(self.s_alpha, width=11),  # 11 chars
+                " ",  # pad one space to ensure flag section in the right column
+                format_vary(self.vary_E_down),
+                " ",
+                format_vary(self.vary_E_up),
+                " ",
+                format_vary(self.vary_R_con),
+                " ",
+                format_vary(self.vary_R_lin),
+                " ",
+                format_vary(self.vary_s_alpha),
+            ]
+            return "".join(parts)
+        else:  # FORMAT_3A
+            # Format 3A has compact spacing
+            # NOTE: compact format uses 10 chars for each float field
+            #       whereas
+            #       regular format uses 11 chars
+            parts = [
+                f"{self.spin_group:2d}",
+                f"{self.channel:1d}",
+                format_vary(self.vary_E_down),
+                format_vary(self.vary_E_up),
+                format_vary(self.vary_R_con),
+                format_vary(self.vary_R_lin),
+                format_vary(self.vary_s_con),
+                format_vary(self.vary_s_lin),
+                format_vary(self.vary_R_q),
+                format_float(self.E_down, width=10),
+                format_float(self.E_up, width=10),
+                format_float(self.R_con, width=10),
+                format_float(self.R_lin, width=10),
+                format_float(self.s_con, width=10),
+                format_float(self.s_lin, width=10),
+                format_float(self.R_q, width=10),
+            ]
+            return "".join(parts)
+
+
+class ExternalRFunction(BaseModel):
+    """Container for External R-function entries (Card Set 3/3a).
+
+    This class handles a complete External R-function card set, including:
+    - Header line
+    - Multiple parameter entries
+    - Trailing blank line
+
+    Examples:
+        >>> # Create from lines
+        >>> lines = [
+        ...     "EXTERnal R-function parameters follow",
+        ...     " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01 1 0 0 1 0",
+        ...     " 2 1 2.3450E+00 6.7890E+00 2.3400E-01 5.6700E-01 8.9000E-01 0 1 0 0 1",
+        ...     ""
+        ... ]
+        >>> r_function = ExternalRFunction.from_lines(lines)
+        >>> len(r_function.entries)
+        2
+
+        >>> # Convert back to lines
+        >>> output_lines = r_function.to_lines()
+        >>> len(output_lines)
+        4  # Header + 2 entries + blank line
+    """
+
+    format_type: ExternalRFormat
+    entries: List[ExternalREntry] = Field(default_factory=list)
+
+    @classmethod
+    def is_header_line(cls, line: str) -> Optional[ExternalRFormat]:
+        """Check if line is a header and return corresponding format type.
+
+        Args:
+            line: Input line to check
+
+        Returns:
+            ExternalRFormat if line is a header, None otherwise
+        """
+        line = line.strip()
+        if line.startswith("EXTER"):
+            return ExternalRFormat.FORMAT_3
+        elif line.startswith("R-EXT"):
+            return ExternalRFormat.FORMAT_3A
+        return None
+
+    @classmethod
+    def write_header(cls, format_type: ExternalRFormat) -> str:
+        """Generate the appropriate header line for the format.
+
+        Args:
+            format_type: Format type to use
+
+        Returns:
+            str: Header line
+        """
+        if format_type == ExternalRFormat.FORMAT_3:
+            return CARD_3_HEADER
+        else:
+            return CARD_3A_HEADER
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "ExternalRFunction":
+        """Parse a complete External R-function card set from lines.
+
+        Args:
+            lines: List of input lines including header and entries
+
+        Returns:
+            ExternalRFunction: Parsed card set
+
+        Raises:
+            ValueError: If no valid header found or invalid format
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Find and validate header
+        format_type = cls.is_header_line(lines[0])
+        if format_type is None:
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Parse entries (skip header and trailing blank lines)
+        entries = []
+        for line in lines[1:]:
+            if not line.strip():  # Skip blank lines
+                continue
+            try:
+                entry = ExternalREntry.from_str(line, format_type)
+                entries.append(entry)
+            except ValueError as e:
+                raise ValueError(f"Failed to parse entry line: {line}") from e
+
+        return cls(format_type=format_type, entries=entries)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card set to a list of lines.
+
+        Returns:
+            List[str]: Lines including header, entries, and trailing blank line
+        """
+        lines = []
+
+        # Add header
+        lines.append(self.write_header(self.format_type))
+
+        # Add entries
+        for entry in self.entries:
+            lines.append(entry.to_str())
+
+        # Add trailing blank line
+        lines.append("")
+
+        return lines
+
+
+if __name__ == "__main__":
+    # Enable logging for debugging
+    logging.basicConfig(level=logging.DEBUG)
+
+    # Test ExternalREntry with both formats
+    logging.debug("**Testing ExternalREntry with Format 3**")
+    format3_examples = [
+        " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01  1 0 1 0 1",
+        " 2 1 2.3450E+00 6.7890E+00 2.3400E-01 5.6700E-01 8.9000E-01  0 1 0 0 1",
+        #                                                           ^^ two spaces here
+    ]
+
+    for i, line in enumerate(format3_examples):
+        entry = ExternalREntry.from_str(line, ExternalRFormat.FORMAT_3)
+        logging.debug(f"Format 3 Example {i+1}:")
+        logging.debug(f"Object     : {entry}")
+        logging.debug(f"Original   : {line}")
+        logging.debug(f"Reformatted: {entry.to_str()}")
+        logging.debug("")
+
+    logging.debug("**Testing ExternalREntry with Format 3A**")
+    format3a_examples = [
+        "12100100001.2340E+005.6780E+001.2300E-014.5600E-017.8900E-018.9000E-019.0000E-01",
+        "21201001012.3450E+006.7890E+002.3400E-015.6700E-018.9000E-019.1000E-019.2000E-01",
+    ]
+
+    for i, line in enumerate(format3a_examples):
+        entry = ExternalREntry.from_str(line, ExternalRFormat.FORMAT_3A)
+        logging.debug(f"Format 3A Example {i+1}:")
+        logging.debug(f"Object     : {entry}")
+        logging.debug(f"Original   : {line}")
+        logging.debug(f"Reformatted: {entry.to_str()}")
+        logging.debug("")
+
+    # Test ExternalRFunction with complete card sets
+    logging.debug("**Testing ExternalRFunction with Format 3**")
+    format3_lines = [
+        "EXTERnal R-function parameters follow",
+        " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01  1 0 0 1 0",
+        " 2 1 2.3450E+00 6.7890E+00 2.3400E-01 5.6700E-01 8.9000E-01  0 1 0 0 1",
+        "",
+    ]
+
+    try:
+        r_function = ExternalRFunction.from_lines(format3_lines)
+        logging.debug("Successfully parsed Format 3 card set:")
+        logging.debug("Number of entries: {len(r_function.entries)}")
+        logging.debug("Output lines:")
+        for line in r_function.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse Format 3 card set: {e}")
+
+    logging.debug("**Testing ExternalRFunction with Format 3A**")
+    format3a_lines = [
+        "R-EXTernal parameters follow",
+        "12100100001.2340E+005.6780E+001.2300E-014.5600E-017.8900E-018.9000E-019.0000E-01",
+        "21201001012.3450E+006.7890E+002.3400E-015.6700E-018.9000E-019.1000E-019.2000E-01",
+        "",
+    ]
+
+    try:
+        r_function = ExternalRFunction.from_lines(format3a_lines)
+        logging.debug("Successfully parsed Format 3A card set:")
+        logging.debug(f"Number of entries: {len(r_function.entries)}")
+        logging.debug("Output lines:")
+        for line in r_function.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse Format 3A card set: {e}")
+
+    # Test error handling
+    logging.debug("**Testing Error Handling**")
+
+    # Test invalid s_alpha (negative value)
+    try:
+        bad_line = " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 -7.8900E-01 1 0 0 1 0"
+        logging.debug(f"Testing line with negative s_alpha: '{bad_line}'")
+        ExternalREntry.from_str(bad_line, ExternalRFormat.FORMAT_3)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for negative s_alpha: {e}")
+
+    # Test invalid header
+    try:
+        bad_lines = ["WRONG header line", " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01 1 0 0 1 0", ""]
+        logging.debug("Testing invalid header:")
+        ExternalRFunction.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for invalid header: {e}")
diff --git a/src/pleiades/sammy/parameters/helper.py b/src/pleiades/sammy/parameters/helper.py
new file mode 100644
index 0000000..c751cb5
--- /dev/null
+++ b/src/pleiades/sammy/parameters/helper.py
@@ -0,0 +1,117 @@
+#!/usr/bin/env python
+"""Helper functions for parameter file handling."""
+
+import re
+from enum import Enum
+from typing import Optional
+
+
+class VaryFlag(Enum):
+    NO = 0
+    YES = 1
+    PUP = 3  # propagated uncertainty parameter
+    USE_FROM_PARFILE = -1  # do not vary, use value from parfile
+    USE_FROM_OTHERS = -2  # do not vary, use value from other sources (INP, COV, etc.)
+
+
+def safe_parse(s: str, as_int: bool = False) -> Optional[float]:
+    """Helper function to safely parse numeric values
+
+    Args:
+        s: String to parse
+        as_int: Flag to parse as integer (default: False)
+
+    Returns:
+        Parsed value or None if parsing failed
+    """
+    s = s.strip()
+    if not s:
+        return None
+    try:
+        if as_int:
+            return int(s)
+        return float(s)
+    except ValueError:
+        return None
+
+
+def format_float(value: Optional[float], width: int = 11) -> str:
+    """Helper to format float values in fixed width with proper spacing"""
+    if value is None:
+        return " " * width
+
+    # Subtract 5 characters for "E+xx" (scientific notation exponent)
+    # The rest is for the significant digits (1 before the dot and decimals)
+    max_decimals = max(0, width - 6)  # At least room for "0.E+00"
+
+    # Create a format string with dynamic precision
+    format_str = f"{{:.{max_decimals}E}}"
+    formatted = format_str.format(value)
+
+    # Ensure the string fits the width
+    if len(formatted) > width:
+        raise ValueError(f"Cannot format value {value} to fit in {width} characters.")
+
+    # Align to the left if required
+    return f"{formatted:<{width}}"
+
+
+def format_vary(value: VaryFlag) -> str:
+    """Helper to format vary flags with proper spacing"""
+    if value == VaryFlag.NO:
+        return "0"
+    if value == VaryFlag.YES:
+        return "1"
+    if value == VaryFlag.PUP:
+        return "3"
+    if value == VaryFlag.USE_FROM_PARFILE:
+        return "-1"
+    if value == VaryFlag.USE_FROM_OTHERS:
+        return "-2"
+    raise ValueError(f"Unsupported vary flag: {value}")
+
+
+def parse_keyword_pairs_to_dict(text: str) -> dict:
+    """
+    Parse an ASCII text into a dictionary of keyword-value pairs.
+
+    Parameters:
+        text (str): The input text with keyword-value pairs.
+
+    Returns:
+        dict: A dictionary with keywords as keys and parsed values.
+    """
+    data = {}
+
+    # Regex to match key=value pairs
+    # (\w+): captures the keyword
+    # \s*=\s*: matches the equal sign with optional spaces around it
+    # ([^=\n]+?): captures the value until the next keyword or end of line
+    # (?=\s+\w+\s*=|$): lookahead to match the next keyword or end of line
+    pattern = r"(\w+)\s*=\s*([^=\n]+?)(?=\s+\w+\s*=|$)"
+
+    for line in text.splitlines():
+        # Skip empty lines
+        if not line.strip():
+            continue
+
+        # Find all key-value pairs in the line
+        matches = re.findall(pattern, line)
+
+        for key, value in matches:
+            # Process the value
+            value = value.strip()
+            if " " in value:
+                # Convert space-separated numbers to a list of float or int
+                items = value.split()
+                parsed_value = [float(item) if "." in item else int(item) if item.isdigit() else item for item in items]
+            else:
+                # Single value, convert to int or float if possible
+                if value.isdigit():
+                    parsed_value = int(value)
+                else:
+                    parsed_value = float(value) if "." in value else value
+
+            data[key] = parsed_value
+
+    return data
diff --git a/src/pleiades/sammy/parameters/normalization.py b/src/pleiades/sammy/parameters/normalization.py
new file mode 100644
index 0000000..01100ba
--- /dev/null
+++ b/src/pleiades/sammy/parameters/normalization.py
@@ -0,0 +1,316 @@
+#!/usr/bin/env python
+"""Data class for card 06::normalization and background parameters."""
+
+import logging
+from typing import List, Optional
+
+from pydantic import BaseModel, Field
+
+from pleiades.sammy.parameters.helper import VaryFlag, format_float, format_vary, safe_parse
+
+# Format definitions for fixed-width fields
+# Each numeric field follows a 9+1 pattern for readability
+FORMAT_MAIN = {
+    "anorm": slice(0, 10),  # Normalization
+    "backa": slice(10, 20),  # Constant background
+    "backb": slice(20, 30),  # Background proportional to 1/E
+    "backc": slice(30, 40),  # Background proportional to √E
+    "backd": slice(40, 50),  # Exponential background coefficient
+    "backf": slice(50, 60),  # Exponential decay constant
+    "flag_anorm": slice(60, 62),  # Flag for ANORM
+    "flag_backa": slice(62, 64),  # Flag for BACKA
+    "flag_backb": slice(64, 66),  # Flag for BACKB
+    "flag_backc": slice(66, 68),  # Flag for BACKC
+    "flag_backd": slice(68, 70),  # Flag for BACKD
+    "flag_backf": slice(70, 72),  # Flag for BACKF
+}
+
+FORMAT_UNCERTAINTY = {
+    "d_anorm": slice(0, 10),
+    "d_backa": slice(10, 20),
+    "d_backb": slice(20, 30),
+    "d_backc": slice(30, 40),
+    "d_backd": slice(40, 50),
+    "d_backf": slice(50, 60),
+}
+
+CARD_6_HEADER = "NORMAlization and background are next"
+
+
+class NormalizationParameters(BaseModel):
+    """Parameters for normalization and background for one angle.
+
+    Contains:
+    - Normalization and background values
+    - Their uncertainties (optional)
+    - Flags indicating whether each parameter should be varied
+
+    Note on fixed-width format:
+    Each numeric field in the file uses a 10-column width with a 9+1 pattern:
+    - 9 characters for the actual numeric data (e.g. "1.2340E+00")
+    - 1 character for space separator
+    """
+
+    # Main parameters
+    anorm: float = Field(description="Normalization (dimensionless)")
+    backa: float = Field(description="Constant background")
+    backb: float = Field(description="Background proportional to 1/E")
+    backc: float = Field(description="Background proportional to √E")
+    backd: float = Field(description="Exponential background coefficient")
+    backf: float = Field(description="Exponential decay constant")
+
+    # Optional uncertainties
+    d_anorm: Optional[float] = Field(None, description="Uncertainty on ANORM")
+    d_backa: Optional[float] = Field(None, description="Uncertainty on BACKA")
+    d_backb: Optional[float] = Field(None, description="Uncertainty on BACKB")
+    d_backc: Optional[float] = Field(None, description="Uncertainty on BACKC")
+    d_backd: Optional[float] = Field(None, description="Uncertainty on BACKD")
+    d_backf: Optional[float] = Field(None, description="Uncertainty on BACKF")
+
+    # Vary flags
+    flag_anorm: VaryFlag = Field(default=VaryFlag.NO)
+    flag_backa: VaryFlag = Field(default=VaryFlag.NO)
+    flag_backb: VaryFlag = Field(default=VaryFlag.NO)
+    flag_backc: VaryFlag = Field(default=VaryFlag.NO)
+    flag_backd: VaryFlag = Field(default=VaryFlag.NO)
+    flag_backf: VaryFlag = Field(default=VaryFlag.NO)
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "NormalizationParameters":
+        """Parse normalization parameters from a list of fixed-width format lines.
+
+        Args:
+            lines: List of input lines
+
+        Returns:
+            NormalizationParameters: Parsed parameters
+
+        Raises:
+            ValueError: If lines are invalid or required data is missing
+        """
+        if not lines or not lines[0].strip():
+            raise ValueError("No valid parameter line provided")
+
+        # Make sure first line is long enough
+        main_line = f"{lines[0]:<72}"
+
+        params = {}
+
+        # Parse main parameters
+        for field in ["anorm", "backa", "backb", "backc", "backd", "backf"]:
+            value = safe_parse(main_line[FORMAT_MAIN[field]])
+            if value is not None:
+                params[field] = value
+
+        # Parse vary flags
+        for field in ["flag_anorm", "flag_backa", "flag_backb", "flag_backc", "flag_backd", "flag_backf"]:
+            value = main_line[FORMAT_MAIN[field]].strip() or "0"
+            try:
+                params[field] = VaryFlag(int(value))
+            except (ValueError, TypeError):
+                params[field] = VaryFlag.NO
+
+        # Parse uncertainties if present
+        if len(lines) > 1 and lines[1].strip():
+            unc_line = f"{lines[1]:<60}"
+            for field in ["d_anorm", "d_backa", "d_backb", "d_backc", "d_backd", "d_backf"]:
+                value = safe_parse(unc_line[FORMAT_UNCERTAINTY[field]])
+                if value is not None:
+                    params[field] = value
+
+        return cls(**params)
+
+    def to_lines(self) -> List[str]:
+        """Convert the parameters to a list of fixed-width format lines.
+
+        Returns:
+            List[str]: Lines representing the parameters
+        """
+        lines = []
+
+        # Format main parameter line
+        main_parts = [
+            format_float(self.anorm, width=9),
+            format_float(self.backa, width=9),
+            format_float(self.backb, width=9),
+            format_float(self.backc, width=9),
+            format_float(self.backd, width=9),
+            format_float(self.backf, width=9),
+            format_vary(self.flag_anorm),
+            format_vary(self.flag_backa),
+            format_vary(self.flag_backb),
+            format_vary(self.flag_backc),
+            format_vary(self.flag_backd),
+            format_vary(self.flag_backf),
+        ]
+        lines.append(" ".join(main_parts))
+
+        # Add uncertainties line if any uncertainties are present
+        if any(getattr(self, f"d_{param}") is not None for param in ["anorm", "backa", "backb", "backc", "backd", "backf"]):
+            unc_parts = [
+                format_float(getattr(self, f"d_{param}", 0.0), width=10) for param in ["anorm", "backa", "backb", "backc", "backd", "backf"]
+            ]
+            lines.append("".join(unc_parts))
+
+        return lines
+
+
+class NormalizationBackgroundCard(BaseModel):
+    """Container for complete normalization/background card set (Card Set 6).
+
+    This class handles a complete card set, including:
+    - Header line
+    - Parameter entries for each angle
+    - Trailing blank line
+    """
+
+    angle_sets: List[NormalizationParameters] = Field(min_items=1)
+
+    @classmethod
+    def is_header_line(cls, line: str) -> bool:
+        """Check if line is a valid header line.
+
+        Args:
+            line: Input line to check
+
+        Returns:
+            bool: True if line is a valid header
+        """
+        return line.strip().upper().startswith("NORMA")
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "NormalizationBackgroundCard":
+        """Parse a complete normalization card set from lines.
+
+        Args:
+            lines: List of input lines including header
+
+        Returns:
+            NormalizationBackgroundCard: Parsed card set
+
+        Raises:
+            ValueError: If no valid header found or invalid format
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Validate header
+        if not cls.is_header_line(lines[0]):
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Parse parameters (skip header and trailing blank lines)
+        content_lines = [line for line in lines[1:] if line.strip()]
+        if not content_lines:
+            raise ValueError("No parameter lines found")
+
+        # Parse angle sets (each set can have 1-2 lines)
+        angle_sets = []
+        i = 0
+        while i < len(content_lines):
+            # Check if next line exists and is an uncertainty line
+            next_lines = [content_lines[i]]
+            if i + 1 < len(content_lines):
+                # Check if next line looks like uncertainties (contains numeric values)
+                # rather than a new parameter set
+                if safe_parse(content_lines[i + 1][:10]) is not None:
+                    next_lines.append(content_lines[i + 1])
+                    i += 2
+                else:
+                    i += 1
+            else:
+                i += 1
+
+            angle_sets.append(NormalizationParameters.from_lines(next_lines))
+
+        return cls(angle_sets=angle_sets)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card set to a list of lines.
+
+        Returns:
+            List[str]: Lines including header and parameters
+        """
+        lines = [CARD_6_HEADER]
+        for angle_set in self.angle_sets:
+            lines.extend(angle_set.to_lines())
+        lines.append("")  # Trailing blank line
+        return lines
+
+
+if __name__ == "__main__":
+    # Enable logging for debugging
+    logging.basicConfig(level=logging.DEBUG)
+
+    # Test example with main parameters only
+    logging.debug("**Testing main parameters only**")
+    main_only_lines = ["1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0"]
+
+    try:
+        params = NormalizationParameters.from_lines(main_only_lines)
+        logging.debug("Successfully parsed main parameters:")
+        logging.debug(f"ANORM: {params.anorm}")
+        logging.debug(f"BACKA: {params.backa}")
+        logging.debug("Output lines:")
+        for line in params.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse main parameters: {e}")
+
+    # Test example with uncertainties
+    logging.debug("**Testing with uncertainties**")
+    with_unc_lines = [
+        "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+        "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+    ]
+
+    try:
+        params = NormalizationParameters.from_lines(with_unc_lines)
+        logging.debug("Successfully parsed parameters with uncertainties:")
+        logging.debug(f"ANORM: {params.anorm} ± {params.d_anorm}")
+        logging.debug(f"BACKA: {params.backa} ± {params.d_backa}")
+        logging.debug("Output lines:")
+        for line in params.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse parameters with uncertainties: {e}")
+
+    # Test complete card set with multiple angles
+    logging.debug("**Testing complete card set with multiple angles**")
+    card_lines = [
+        "NORMAlization and background are next",
+        "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+        "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+        "1.300E+00 3.000E+02 1.600E-01 2.600E-02 1.100E+00 5.100E-01  1 0 1 0 1 0",
+        "",
+    ]
+
+    try:
+        card = NormalizationBackgroundCard.from_lines(card_lines)
+        logging.debug("Successfully parsed complete card set")
+        logging.debug(f"Number of angle sets: {len(card.angle_sets)}")
+        logging.debug("Output lines:")
+        for line in card.to_lines():
+            logging.debug(f"'{line}'")
+    except ValueError as e:
+        logging.error(f"Failed to parse complete card set: {e}")
+
+    # Test error handling
+    logging.debug("\n**Testing Error Handling**")
+
+    # Test invalid header
+    try:
+        bad_lines = ["WRONG header line", "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0", ""]
+        logging.debug("Testing invalid header:")
+        NormalizationBackgroundCard.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for invalid header: {e}")
+
+    # Test empty parameter set
+    try:
+        bad_lines = ["NORMAlization and background are next", ""]
+        logging.debug("Testing empty parameter set:")
+        NormalizationBackgroundCard.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for empty parameter set: {e}")
diff --git a/src/pleiades/sammy/parameters/radius.py b/src/pleiades/sammy/parameters/radius.py
new file mode 100644
index 0000000..bc99ea3
--- /dev/null
+++ b/src/pleiades/sammy/parameters/radius.py
@@ -0,0 +1,964 @@
+#!/usr/bin/env python
+"""Card Set 7/7a: Radius Parameters.
+
+This module handles both fixed-width (Card Set 7) and keyword-based (Card Set 7a) formats
+for radius parameters in SAMMY parameter files.
+"""
+
+import re
+from enum import Enum
+from typing import List, Optional, Tuple, Union
+
+from pydantic import BaseModel, Field, field_validator, model_validator
+
+from pleiades.sammy.parameters.helper import VaryFlag, format_float, format_vary, parse_keyword_pairs_to_dict, safe_parse
+
+
+class OrbitalMomentum(str, Enum):
+    """Valid values for orbital angular momentum specification."""
+
+    ODD = "ODD"
+    EVEN = "EVEN"
+    ALL = "ALL"
+
+
+class RadiusParameters(BaseModel):
+    """Container for nuclear radius parameters used in SAMMY calculations.
+
+    This class represents a set of radius parameters that define both the potential
+    scattering radius and the radius used for penetrabilities and shift calculations.
+    These parameters can be applied globally or to specific spin groups and channels.
+
+    Attributes:
+        effective_radius (float):
+            The radius (in Fermi) used for potential scattering calculations.
+
+        true_radius (float):
+            The radius (in Fermi) used for penetrabilities and shift calculations.
+            Special values:
+            - If 0: Uses the CRFN value from input file/card set 4
+            - If negative: Absolute value represents mass ratio to neutron (AWRI),
+              radius calculated as 1.23(AWRI)^1/3 + 0.8 (ENDF formula)
+
+        channel_mode (int):
+            Determines how channels are specified:
+            - 0: Parameters apply to all channels
+            - 1: Parameters apply only to specified channels in channels list
+
+        vary_effective (VaryFlag):
+            Flag indicating how effective radius should be treated:
+            - NO (0): Parameter is held fixed
+            - YES (1): Parameter is varied in fitting
+            - PUP (3): Parameter is treated as a propagated uncertainty parameter
+
+        vary_true (VaryFlag):
+            Flag indicating how true radius should be treated:
+            - USE_FROM_EFFECTIVE (-1): Treated as identical to effective_radius
+            - NO (0): Parameter is held fixed
+            - YES (1): Parameter is varied independently
+            - PUP (3): Parameter is treated as a propagated uncertainty parameter
+
+        spin_groups (List[int]):
+            List of spin group numbers that use these radius parameters.
+            Values > 500 indicate omitted resonances.
+
+        channels (Optional[List[int]]):
+            List of channel numbers when channel_mode=1.
+            When channel_mode=0, this should be None.
+
+    Note:
+        This class supports the three different input formats specified in SAMMY:
+        - Default format (card set 7) for <99 spin groups
+        - Alternate format for >99 spin groups
+        - Keyword-based format
+        However, internally it maintains a consistent representation regardless
+        of input format.
+    """
+
+    effective_radius: float = Field(description="Radius for potential scattering (Fermi)", ge=0)
+    true_radius: float = Field(description="Radius for penetrabilities and shifts (Fermi)")
+    channel_mode: int = Field(
+        description="Channel specification mode (0: all channels, 1: specific channels)",
+        ge=0,  # Greater than or equal to 0
+        le=1,  # Less than or equal to 1
+    )
+    vary_effective: VaryFlag = Field(default=VaryFlag.NO, description="Flag for varying effective radius")
+    vary_true: VaryFlag = Field(default=VaryFlag.NO, description="Flag for varying true radius")
+    spin_groups: Optional[List[int]] = Field(
+        description="List of spin group numbers",
+    )
+    channels: Optional[List[int]] = Field(default=None, description="List of channel numbers (required when channel_mode=1)")
+
+    @field_validator("spin_groups")
+    def validate_spin_groups(cls, v: List[int]) -> List[int]:
+        """Validate spin group numbers.
+
+        Args:
+            v: List of spin group numbers
+
+        Returns:
+            List[int]: Validated spin group numbers
+
+        Raises:
+            ValueError: If any spin group number is invalid
+        """
+        for group in v:
+            if group <= 0:
+                raise ValueError(f"Spin group numbers must be positive, got {group}")
+
+            # Values > 500 are valid but indicate omitted resonances
+            # We allow them but might want to warn the user
+            if group > 500:
+                print(f"Warning: Spin group {group} > 500 indicates omitted resonances")
+
+        return v
+
+    @field_validator("vary_true")
+    def validate_vary_true(cls, v: VaryFlag) -> VaryFlag:
+        """Validate vary_true flag has valid values.
+
+        For true radius, we allow an additional special value -1 (USE_FROM_PARFILE)
+
+        Args:
+            v: Vary flag value
+
+        Returns:
+            VaryFlag: Validated flag value
+
+        Raises:
+            ValueError: If flag value is invalid
+        """
+        allowed_values = [
+            VaryFlag.USE_FROM_PARFILE,  # -1
+            VaryFlag.NO,  # 0
+            VaryFlag.YES,  # 1
+            VaryFlag.PUP,  # 3
+        ]
+        if v not in allowed_values:
+            raise ValueError(f"vary_true must be one of {allowed_values}, got {v}")
+        return v
+
+    @model_validator(mode="after")
+    def validate_channels(self) -> "RadiusParameters":
+        """Validate channel specifications.
+
+        Ensures that:
+        1. If channel_mode=1, channels must be provided
+        2. If channel_mode=0, channels should be None
+
+        Returns:
+            RadiusParameters: Self if validation passes
+
+        Raises:
+            ValueError: If channel specifications are invalid
+        """
+        if self.channel_mode == 1 and not self.channels:
+            raise ValueError("When channel_mode=1, channels must be provided")
+        if self.channel_mode == 0 and self.channels is not None:
+            raise ValueError("When channel_mode=0, channels must be None")
+        return self
+
+    @model_validator(mode="after")
+    def validate_true_radius_consistency(self) -> "RadiusParameters":
+        """Validate consistency between true_radius and vary_true.
+
+        Ensures that:
+        1. If vary_true is USE_FROM_PARFILE, true_radius matches effective_radius
+        2. If true_radius is 0, vary_true cannot be USE_FROM_PARFILE
+        3. If true_radius is negative, it represents AWRI and vary_true cannot be USE_FROM_PARFILE
+
+        Returns:
+            RadiusParameters: Self if validation passes
+
+        Raises:
+            ValueError: If radius specifications are inconsistent
+        """
+        if self.vary_true == VaryFlag.USE_FROM_PARFILE:
+            if self.true_radius != self.effective_radius:
+                raise ValueError("When vary_true is USE_FROM_PARFILE (-1), " "true_radius must match effective_radius")
+
+        # Special cases for true_radius
+        if self.true_radius == 0:
+            if self.vary_true == VaryFlag.USE_FROM_PARFILE:
+                raise ValueError("When true_radius=0 (use CRFN value), " "vary_true cannot be USE_FROM_PARFILE (-1)")
+
+        if self.true_radius < 0:
+            if self.vary_true == VaryFlag.USE_FROM_PARFILE:
+                raise ValueError("When true_radius is negative (AWRI specification), " "vary_true cannot be USE_FROM_PARFILE (-1)")
+
+        return self
+
+
+# Format definitions for fixed-width fields
+FORMAT_DEFAULT = {
+    "pareff": slice(0, 10),  # Effective radius (Fermi)
+    "partru": slice(10, 20),  # True radius (Fermi)
+    "ichan": slice(20, 21),  # Channel indicator
+    "ifleff": slice(21, 22),  # Flag for PAREFF
+    "ifltru": slice(22, 24),  # Flag for PARTRU
+    # Spin groups start at col 24, 2 cols each
+    # After IX=0 marker, channel numbers use 2 cols each
+}
+
+CARD_7_HEADER = "RADIUs parameters follow"
+
+
+class RadiusCardDefault(BaseModel):
+    """Handler for default format radius parameter cards (Card Set 7).
+
+    This class handles parsing and writing radius parameters in the default
+    fixed-width format used for systems with fewer than 99 spin groups.
+
+    The format includes:
+    - Fixed width fields for radii and flags
+    - Support for multiple lines of spin groups with -1 continuation
+    - Optional channel numbers after IX=0 marker when channel_mode=1
+
+    Note:
+        This format should only be used when the number of spin groups < 99.
+        For larger systems, use RadiusCardAlternate.
+    """
+
+    parameters: RadiusParameters
+
+    @classmethod
+    def is_header_line(cls, line: str) -> bool:
+        """Check if line is a valid header line.
+
+        Args:
+            line: Input line to check
+
+        Returns:
+            bool: True if line is a valid header
+        """
+        return line.strip().upper().startswith("RADIU")
+
+    @staticmethod
+    def _parse_numbers_from_line(line: str, start_pos: int, width: int) -> List[int]:
+        """Parse fixed-width integer values from a line.
+
+        Args:
+            line: Input line
+            start_pos: Starting position
+            width: Width of each field
+
+        Returns:
+            List[int]: List of parsed integers, stopping at first invalid value
+        """
+        numbers = []
+        pos = start_pos
+        while pos + width <= len(line):
+            value = safe_parse(line[pos : pos + width], as_int=True)
+            if value is None:
+                break
+            numbers.append(value)
+            pos += width
+        return numbers
+
+    @classmethod
+    def _parse_spin_groups_and_channels(cls, lines: List[str]) -> Tuple[List[int], Optional[List[int]]]:
+        """Parse spin groups and optional channels from lines.
+
+        Args:
+            lines: List of input lines containing spin groups/channels
+
+        Returns:
+            Tuple containing:
+            - List[int]: Spin group numbers
+            - Optional[List[int]]: Channel numbers if present
+
+        Note:
+            Handles continuation lines (-1 marker) and IX=0 marker for channels
+        """
+        spin_groups = []
+        channels = None
+
+        for line in lines:
+            # Parse numbers 2 columns each starting at position 24
+            numbers = cls._parse_numbers_from_line(line, 24, 2)
+
+            if not numbers:
+                continue
+
+            # Check for continuation marker (-1)
+            if numbers[-1] == -1:
+                spin_groups.extend(numbers[:-1])
+                continue
+
+            # Check for IX=0 marker (indicates channels follow)
+            if 0 in numbers:
+                zero_index = numbers.index(0)
+                spin_groups.extend(numbers[:zero_index])
+                channels = numbers[zero_index + 1 :]
+                break
+
+            spin_groups.extend(numbers)
+
+        return spin_groups, channels
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "RadiusCardDefault":
+        """Parse radius parameters from fixed-width format lines.
+
+        Args:
+            lines: List of input lines including header
+
+        Returns:
+            RadiusCardDefault: Parsed card
+
+        Raises:
+            ValueError: If lines are invalid or required data is missing
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Validate header
+        if not cls.is_header_line(lines[0]):
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Get content lines (skip header and trailing blank)
+        content_lines = [line for line in lines[1:] if line.strip()]
+        if not content_lines:
+            raise ValueError("No parameter lines found")
+
+        # Parse first line for main parameters
+        main_line = content_lines[0]
+
+        # Ensure line is long enough
+        if len(main_line) < 24:  # Minimum length for main parameters
+            raise ValueError("Parameter line too short")
+
+        # Parse main parameters
+        params = {
+            "effective_radius": safe_parse(main_line[FORMAT_DEFAULT["pareff"]]),
+            "true_radius": safe_parse(main_line[FORMAT_DEFAULT["partru"]]),
+            "channel_mode": safe_parse(main_line[FORMAT_DEFAULT["ichan"]], as_int=True) or 0,
+        }
+
+        # Parse flags
+        try:
+            params["vary_effective"] = VaryFlag(int(main_line[FORMAT_DEFAULT["ifleff"]].strip() or "0"))
+            params["vary_true"] = VaryFlag(int(main_line[FORMAT_DEFAULT["ifltru"]].strip() or "0"))
+        except ValueError:
+            raise ValueError("Invalid vary flags")
+
+        # Parse spin groups and channels
+        spin_groups, channels = cls._parse_spin_groups_and_channels(content_lines)
+
+        if not spin_groups:
+            raise ValueError("No spin groups found")
+
+        params["spin_groups"] = spin_groups
+        params["channels"] = channels
+
+        # Create parameters object
+        try:
+            parameters = RadiusParameters(**params)
+        except ValueError as e:
+            raise ValueError(f"Invalid parameter values: {e}")
+
+        return cls(parameters=parameters)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card to fixed-width format lines.
+
+        Returns:
+            List[str]: Lines including header
+        """
+        lines = [CARD_7_HEADER]
+
+        # Format main parameters
+        main_parts = [
+            format_float(self.parameters.effective_radius, width=10),
+            format_float(self.parameters.true_radius, width=10),
+            str(self.parameters.channel_mode),
+            format_vary(self.parameters.vary_effective),
+            format_vary(self.parameters.vary_true),
+        ]
+
+        # Add spin groups (up to 28 per line)
+        spin_groups = self.parameters.spin_groups
+        spin_group_lines = []
+
+        current_line = []
+        for group in spin_groups:
+            current_line.append(f"{group:2d}")
+            if len(current_line) == 28:  # Max groups per line
+                spin_group_lines.append("".join(current_line))
+                current_line = []
+
+        # Add any remaining groups
+        if current_line:
+            spin_group_lines.append("".join(current_line))
+
+        # Combine main parameters with first line of spin groups
+        if spin_group_lines:
+            first_line = "".join(main_parts)
+            if len(spin_group_lines[0]) > 0:
+                first_line += spin_group_lines[0]
+            lines.append(first_line)
+
+            # Add remaining spin group lines
+            lines.extend(spin_group_lines[1:])
+
+        # Add channels if present
+        if self.parameters.channels:
+            channel_line = "0"  # IX=0 marker
+            for channel in self.parameters.channels:
+                channel_line += f"{channel:2d}"
+            lines.append(channel_line)
+
+        # Add trailing blank line
+        lines.append("")
+
+        return lines
+
+
+# Format definitions for fixed-width fields
+FORMAT_ALTERNATE = {
+    "pareff": slice(0, 10),  # Radius for potential scattering
+    "partru": slice(10, 20),  # Radius for penetrabilities
+    "ichan": slice(20, 25),  # Channel indicator (5 cols)
+    "ifleff": slice(25, 30),  # Flag for PAREFF (5 cols)
+    "ifltru": slice(30, 35),  # Flag for PARTRU (5 cols)
+    # Spin groups start at col 35, 5 cols each
+    # After IX=0 marker, channel numbers use 5 cols each
+}
+
+CARD_7_ALT_HEADER = "RADIUs parameters follow"
+
+
+class RadiusCardAlternate(BaseModel):
+    """Handler for alternate format radius parameter cards (Card Set 7 alternate).
+
+    This class handles parsing and writing radius parameters in the alternate
+    fixed-width format used for systems with more than 99 spin groups.
+
+    The format includes:
+    - Fixed width fields for radii and flags (same positions as default)
+    - 5-column width for integer values (instead of 2)
+    - Support for continuation lines with -1 marker
+    - Optional channel numbers after IX=0 marker when channel_mode=1
+
+    Note:
+        This format should be used when the number of spin groups >= 99.
+        For smaller systems, use RadiusCardDefault.
+    """
+
+    parameters: RadiusParameters
+
+    @classmethod
+    def is_header_line(cls, line: str) -> bool:
+        """Check if line is a valid header line.
+
+        Args:
+            line: Input line to check
+
+        Returns:
+            bool: True if line is a valid header
+        """
+        return line.strip().upper().startswith("RADIU")
+
+    @staticmethod
+    def _parse_numbers_from_line(line: str, start_pos: int, width: int) -> List[int]:
+        """Parse fixed-width integer values from a line.
+
+        Args:
+            line: Input line
+            start_pos: Starting position
+            width: Width of each field
+
+        Returns:
+            List[int]: List of parsed integers, stopping at first invalid value
+        """
+        numbers = []
+        pos = start_pos
+        while pos + width <= len(line):
+            value = safe_parse(line[pos : pos + width], as_int=True)
+            if value is None:
+                break
+            numbers.append(value)
+            pos += width
+        return numbers
+
+    @classmethod
+    def _parse_spin_groups_and_channels(cls, lines: List[str]) -> Tuple[List[int], Optional[List[int]]]:
+        """Parse spin groups and optional channels from lines.
+
+        Args:
+            lines: List of input lines containing spin groups/channels
+
+        Returns:
+            Tuple containing:
+            - List[int]: Spin group numbers
+            - Optional[List[int]]: Channel numbers if present
+
+        Note:
+            Handles continuation lines (-1 marker) and IX=0 marker for channels
+        """
+        spin_groups = []
+        channels = None
+
+        for line in lines:
+            # Parse numbers 5 columns each starting at position 35
+            numbers = cls._parse_numbers_from_line(line, 35, 5)
+
+            if not numbers:
+                continue
+
+            # Check for continuation marker (-1)
+            if numbers[-1] == -1:
+                spin_groups.extend(numbers[:-1])
+                continue
+
+            # Check for IX=0 marker (indicates channels follow)
+            if 0 in numbers:
+                zero_index = numbers.index(0)
+                spin_groups.extend(numbers[:zero_index])
+                channels = numbers[zero_index + 1 :]
+                break
+
+            spin_groups.extend(numbers)
+
+        return spin_groups, channels
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "RadiusCardAlternate":
+        """Parse radius parameters from fixed-width format lines.
+
+        Args:
+            lines: List of input lines including header
+
+        Returns:
+            RadiusCardAlternate: Parsed card
+
+        Raises:
+            ValueError: If lines are invalid or required data is missing
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Validate header
+        if not cls.is_header_line(lines[0]):
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Get content lines (skip header and trailing blank)
+        content_lines = [line for line in lines[1:] if line.strip()]
+        if not content_lines:
+            raise ValueError("No parameter lines found")
+
+        # Parse first line for main parameters
+        main_line = content_lines[0]
+
+        # Ensure line is long enough
+        if len(main_line) < 35:  # Minimum length for main parameters
+            raise ValueError("Parameter line too short")
+
+        # Parse main parameters
+        params = {
+            "effective_radius": safe_parse(main_line[FORMAT_ALTERNATE["pareff"]]),
+            "true_radius": safe_parse(main_line[FORMAT_ALTERNATE["partru"]]),
+            "channel_mode": safe_parse(main_line[FORMAT_ALTERNATE["ichan"]], as_int=True) or 0,
+        }
+
+        # Parse flags (5-column format)
+        try:
+            params["vary_effective"] = VaryFlag(int(main_line[FORMAT_ALTERNATE["ifleff"]].strip() or "0"))
+            params["vary_true"] = VaryFlag(int(main_line[FORMAT_ALTERNATE["ifltru"]].strip() or "0"))
+        except ValueError:
+            raise ValueError("Invalid vary flags")
+
+        # Parse spin groups and channels
+        spin_groups, channels = cls._parse_spin_groups_and_channels(content_lines)
+
+        if not spin_groups:
+            raise ValueError("No spin groups found")
+
+        params["spin_groups"] = spin_groups
+        params["channels"] = channels
+
+        # Create parameters object
+        try:
+            parameters = RadiusParameters(**params)
+        except ValueError as e:
+            raise ValueError(f"Invalid parameter values: {e}")
+
+        return cls(parameters=parameters)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card to fixed-width format lines.
+
+        Returns:
+            List[str]: Lines including header
+        """
+        lines = [CARD_7_ALT_HEADER]
+
+        # Format main parameters
+        main_parts = [
+            format_float(self.parameters.effective_radius, width=10),
+            format_float(self.parameters.true_radius, width=10),
+            f"{self.parameters.channel_mode:>5}",  # 5-column format
+            f"{self.parameters.vary_effective.value:>5}",  # 5-column format
+            f"{self.parameters.vary_true.value:>5}",  # 5-column format
+        ]
+
+        # Add spin groups (up to 9 per line due to 5-column width)
+        spin_groups = self.parameters.spin_groups
+        spin_group_lines = []
+
+        current_line = []
+        for group in spin_groups:
+            current_line.append(f"{group:>5}")  # Right-align in 5 columns
+            if len(current_line) == 9:  # Max groups per line
+                spin_group_lines.append("".join(current_line))
+                current_line = []
+
+        # Add any remaining groups
+        if current_line:
+            spin_group_lines.append("".join(current_line))
+
+        # Combine main parameters with first line of spin groups
+        if spin_group_lines:
+            first_line = "".join(main_parts)
+            if len(spin_group_lines[0]) > 0:
+                first_line += spin_group_lines[0]
+            lines.append(first_line)
+
+            # Add remaining spin group lines
+            lines.extend(spin_group_lines[1:])
+
+        # Add channels if present (using 5-column format)
+        if self.parameters.channels:
+            channel_line = f"{0:>5}"  # IX=0 marker
+            for channel in self.parameters.channels:
+                channel_line += f"{channel:>5}"
+            lines.append(channel_line)
+
+        # Add trailing blank line
+        lines.append("")
+
+        return lines
+
+
+CARD_7A_HEADER = "RADII are in KEY-WORD format"
+
+
+class RadiusCardKeyword(BaseModel):
+    """Handler for keyword-based radius parameter cards (Card Set 7a).
+
+    This class handles parsing and writing radius parameters in the keyword format.
+    The format offers a more readable alternative to fixed-width formats while
+    maintaining compatibility with RadiusParameters.
+
+    Attributes:
+        parameters: The core radius parameters
+        particle_pair: Optional particle pair specification
+        orbital_momentum: Optional orbital angular momentum values
+        relative_uncertainty: Optional relative uncertainty for radii
+        absolute_uncertainty: Optional absolute uncertainty for radii
+    """
+
+    parameters: RadiusParameters
+    particle_pair: Optional[str] = None
+    orbital_momentum: Optional[List[Union[int, str]]] = None
+    relative_uncertainty: Optional[float] = None
+    absolute_uncertainty: Optional[float] = None
+
+    @classmethod
+    def is_header_line(cls, line: str) -> bool:
+        """Check if line is a valid header line."""
+        return "RADII" in line.upper() and "KEY-WORD" in line.upper()
+
+    @staticmethod
+    def _parse_values(value_str: str) -> List[str]:
+        """Parse space/comma separated values."""
+        return [v for v in re.split(r"[,\s]+", value_str.strip()) if v]
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "RadiusCardKeyword":
+        """Parse radius parameters from keyword format lines.
+
+        Args:
+            lines: List of input lines including header
+
+        Returns:
+            RadiusCardKeyword: Parsed card
+
+        Raises:
+            ValueError: If lines are invalid or required data is missing
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Validate header
+        if not cls.is_header_line(lines[0]):
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Parse parameters for RadiusParameters
+        params = {
+            "effective_radius": None,
+            "true_radius": None,
+            "channel_mode": 0,
+            "vary_effective": VaryFlag.NO,
+            "vary_true": VaryFlag.NO,
+            "spin_groups": [],
+            "channels": None,
+        }
+
+        # Parse keyword format extras
+        extras = {"particle_pair": None, "orbital_momentum": None, "relative_uncertainty": None, "absolute_uncertainty": None}
+
+        # Combine all non-empty lines into single string for parsing
+        text = "\n".join(line for line in lines[1:] if line.strip())
+
+        # Use the new parser
+        data = parse_keyword_pairs_to_dict(text)
+
+        for key, value in data.items():
+            key = key.lower()
+
+            if key == "radius":
+                if isinstance(value, list):
+                    params["effective_radius"] = value[0]
+                    params["true_radius"] = value[1]
+                else:
+                    params["effective_radius"] = value
+                    params["true_radius"] = value
+
+            elif key == "flags":
+                if isinstance(value, list):
+                    params["vary_effective"] = VaryFlag(value[0])
+                    params["vary_true"] = VaryFlag(value[1])
+                else:
+                    params["vary_effective"] = VaryFlag(value)
+                    params["vary_true"] = VaryFlag(value)
+
+            elif key in ["pp", "particle-pair"]:
+                extras["particle_pair"] = value
+
+            elif key in ["l", "orbital"]:
+                if isinstance(value, list):
+                    extras["orbital_momentum"] = [str(v).lower() if isinstance(v, str) else v for v in value]
+                else:
+                    extras["orbital_momentum"] = [str(value).lower()]
+
+            elif key == "relative":
+                extras["relative_uncertainty"] = value[0] if isinstance(value, list) else value
+
+            elif key == "absolute":
+                extras["absolute_uncertainty"] = value[0] if isinstance(value, list) else value
+
+            elif key == "channels":
+                params["channels"] = [int(x) for x in value]
+                params["channel_mode"] = 1
+
+            elif key == "group":
+                if isinstance(value, list):
+                    params["spin_groups"] = [int(x) for x in value]
+                elif isinstance(value, int):
+                    params["spin_groups"] = [value]
+                else:
+                    raise ValueError("Invalid group value")
+
+        # Validate required parameters
+        if not params["spin_groups"] and not (extras["particle_pair"] and extras["orbital_momentum"]):
+            raise ValueError("Must specify either spin groups or both particle pair (PP) and orbital momentum (L)")
+
+        # Create RadiusParameters instance
+        try:
+            parameters = RadiusParameters(**params)
+        except ValueError as e:
+            raise ValueError(f"Invalid parameter values: {e}")
+
+        return cls(parameters=parameters, **extras)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card to keyword format lines.
+
+        Returns:
+            List[str]: Lines in keyword format
+        """
+        lines = [CARD_7A_HEADER]
+
+        # Add radius values
+        if self.parameters.true_radius == self.parameters.effective_radius:
+            lines.append(f"Radius= {self.parameters.effective_radius}")
+        else:
+            lines.append(f"Radius= {self.parameters.effective_radius} {self.parameters.true_radius}")
+
+        # Add flags
+        if self.parameters.vary_true == self.parameters.vary_effective:
+            lines.append(f"Flags= {self.parameters.vary_effective.value}")
+        else:
+            lines.append(f"Flags= {self.parameters.vary_effective.value} {self.parameters.vary_true.value}")
+
+        # Add uncertainties if present
+        if self.relative_uncertainty is not None:
+            lines.append(f"Relative= {self.relative_uncertainty}")
+        if self.absolute_uncertainty is not None:
+            lines.append(f"Absolute= {self.absolute_uncertainty}")
+
+        # Add particle pair and orbital momentum if present
+        if self.particle_pair:
+            lines.append(f"PP= {self.particle_pair}")
+        if self.orbital_momentum:
+            lines.append(f"L= {' '.join(str(x) for x in self.orbital_momentum)}")
+
+        # Add group and channel specifications
+        if self.parameters.channel_mode == 1 and self.parameters.channels:
+            for group in self.parameters.spin_groups:
+                lines.append(f"Group= {group} Channels= {' '.join(str(x) for x in self.parameters.channels)}")
+        else:
+            lines.append(f"Group= {' '.join(str(x) for x in self.parameters.spin_groups)}")
+
+        lines.append("")  # Trailing blank line
+        return lines
+
+
+class RadiusFormat(Enum):
+    """Supported formats for radius parameter cards."""
+
+    DEFAULT = "default"  # Fixed width (<99 spin groups)
+    ALTERNATE = "alternate"  # Fixed width (>=99 spin groups)
+    KEYWORD = "keyword"  # Keyword based
+
+
+class RadiusCard(BaseModel):
+    """Main handler for SAMMY radius parameter cards.
+
+    This class provides a simple interface for working with radius parameters
+    regardless of format. Users can create parameters directly or read from
+    template files, then write in any supported format.
+
+    Example:
+        # Create new parameters
+        card = RadiusCard(
+            effective_radius=3.2,
+            true_radius=3.2,
+            spin_groups=[1, 2, 3]
+        )
+
+        # Write in desired format
+        lines = card.to_lines(format=RadiusFormat.KEYWORD)
+
+        # Or read from template and modify
+        card = RadiusCard.from_lines(template_lines)
+        card.parameters.effective_radius = 3.5
+        lines = card.to_lines(format=RadiusFormat.DEFAULT)
+    """
+
+    parameters: RadiusParameters
+    # Optional keyword format extras
+    particle_pair: Optional[str] = None
+    orbital_momentum: Optional[List[Union[int, str]]] = None
+    relative_uncertainty: Optional[float] = None
+    absolute_uncertainty: Optional[float] = None
+
+    @classmethod
+    def detect_format(cls, lines: List[str]) -> RadiusFormat:
+        """Detect format from input lines."""
+        if not lines:
+            raise ValueError("No lines provided")
+
+        header = lines[0].strip().upper()
+        if "KEY-WORD" in header:
+            return RadiusFormat.KEYWORD
+        elif "RADIU" in header:
+            # Check format by examining spin group columns
+            content_line = next((l for l in lines[1:] if l.strip()), "")  # noqa: E741
+            if len(content_line) >= 35 and content_line[25:30].strip():  # 5-col format
+                return RadiusFormat.ALTERNATE
+            return RadiusFormat.DEFAULT
+
+        raise ValueError("Invalid header format")
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "RadiusCard":
+        """Parse radius card from lines in any format."""
+        format_type = cls.detect_format(lines)
+
+        if format_type == RadiusFormat.KEYWORD:
+            keyword_card = RadiusCardKeyword.from_lines(lines)
+            return cls(
+                parameters=keyword_card.parameters,
+                particle_pair=keyword_card.particle_pair,
+                orbital_momentum=keyword_card.orbital_momentum,
+                relative_uncertainty=keyword_card.relative_uncertainty,
+                absolute_uncertainty=keyword_card.absolute_uncertainty,
+            )
+        elif format_type == RadiusFormat.ALTERNATE:
+            return cls(parameters=RadiusCardAlternate.from_lines(lines).parameters)
+        else:
+            return cls(parameters=RadiusCardDefault.from_lines(lines).parameters)
+
+    def to_lines(self, radius_format: RadiusFormat = RadiusFormat.DEFAULT) -> List[str]:
+        """Write radius card in specified format."""
+        if radius_format == RadiusFormat.KEYWORD:
+            return RadiusCardKeyword(
+                parameters=self.parameters,
+                particle_pair=self.particle_pair,
+                orbital_momentum=self.orbital_momentum,
+                relative_uncertainty=self.relative_uncertainty,
+                absolute_uncertainty=self.absolute_uncertainty,
+            ).to_lines()
+        elif radius_format == RadiusFormat.ALTERNATE:
+            return RadiusCardAlternate(parameters=self.parameters).to_lines()
+        else:
+            return RadiusCardDefault(parameters=self.parameters).to_lines()
+
+    @classmethod
+    def from_values(
+        cls,
+        effective_radius: float,
+        true_radius: Optional[float] = None,
+        spin_groups: List[int] = None,
+        channels: Optional[List[int]] = None,
+        particle_pair: Optional[str] = None,
+        orbital_momentum: Optional[List[Union[int, str]]] = None,
+        relative_uncertainty: Optional[float] = None,
+        absolute_uncertainty: Optional[float] = None,
+        **kwargs,
+    ) -> "RadiusCard":
+        """Create a new radius card from parameter values.
+
+        Args:
+            effective_radius: Radius for potential scattering
+            true_radius: Radius for penetrabilities and shifts (defaults to effective_radius)
+            spin_groups: List of spin group numbers
+            channels: Optional list of channel numbers
+            particle_pair: Optional particle pair specification
+            orbital_momentum: Optional orbital angular momentum values
+            relative_uncertainty: Optional relative uncertainty for radii
+            absolute_uncertainty: Optional absolute uncertainty for radii
+            **kwargs: Additional parameters to pass to RadiusParameters
+
+        Returns:
+            RadiusCard: Created card instance
+        """
+        # Separate parameters and extras
+        params = {
+            "effective_radius": effective_radius,
+            "true_radius": true_radius or effective_radius,
+            "spin_groups": spin_groups or [],
+            "channel_mode": 1 if channels else 0,
+            "channels": channels,
+        }
+        params.update(kwargs)  # Only parameter-specific kwargs
+
+        # Create card with both parameters and extras
+        return cls(
+            parameters=RadiusParameters(**params),
+            particle_pair=particle_pair,
+            orbital_momentum=orbital_momentum,
+            relative_uncertainty=relative_uncertainty,
+            absolute_uncertainty=absolute_uncertainty,
+        )
+
+
+if __name__ == "__main__":
+    # Example usage
+    card = RadiusCard.from_values(effective_radius=3.2, true_radius=3.2, spin_groups=[1, 2, 3])
+    lines = card.to_lines(radius_format=RadiusFormat.KEYWORD)
+    print("\n".join(lines))
+    print("Format:", RadiusCard.detect_format(lines))
+    print("Parsed card:", RadiusCard.from_lines(lines))
diff --git a/src/pleiades/sammy/parameters/resonance.py b/src/pleiades/sammy/parameters/resonance.py
new file mode 100644
index 0000000..fc10cad
--- /dev/null
+++ b/src/pleiades/sammy/parameters/resonance.py
@@ -0,0 +1,174 @@
+#!/usr/bin/env python
+"""Data class for card 01::resonance."""
+
+import logging
+from typing import Optional
+
+from pydantic import BaseModel, Field
+
+from pleiades.sammy.parameters.helper import VaryFlag, safe_parse
+
+# setup logging
+logger = logging.getLogger(__name__)
+
+
+# Define format constants
+RESONANCE_FORMAT = {
+    "resonance_energy": slice(0, 11),
+    "capture_width": slice(11, 22),
+    "channel1_width": slice(22, 33),
+    "channel2_width": slice(33, 44),
+    "channel3_width": slice(44, 55),
+    "vary_energy": slice(55, 57),
+    "vary_capture_width": slice(57, 59),
+    "vary_channel1": slice(59, 61),
+    "vary_channel2": slice(61, 63),
+    "vary_channel3": slice(63, 65),
+    "igroup": slice(65, 67),
+    "x_value": slice(67, 80),  # Added to detect special cases
+}
+
+
+class UnsupportedFormatError(ValueError):
+    """Error raised when encountering unsupported format features."""
+
+    pass
+
+
+class ResonanceEntry(BaseModel):
+    """Single resonance entry for SAMMY parameter file (strict format)"""
+
+    resonance_energy: float = Field(description="Resonance energy Eλ (eV)")
+    capture_width: float = Field(description="Capture width Γγ (milli-eV)")
+    channel1_width: Optional[float] = Field(None, description="Particle width for channel 1 (milli-eV)")
+    channel2_width: Optional[float] = Field(None, description="Particle width for channel 2 (milli-eV)")
+    channel3_width: Optional[float] = Field(None, description="Particle width for channel 3 (milli-eV)")
+
+    vary_energy: VaryFlag = Field(default=VaryFlag.NO)
+    vary_capture_width: VaryFlag = Field(default=VaryFlag.NO)
+    vary_channel1: VaryFlag = Field(default=VaryFlag.NO)
+    vary_channel2: VaryFlag = Field(default=VaryFlag.NO)
+    vary_channel3: VaryFlag = Field(default=VaryFlag.NO)
+
+    igroup: int = Field(description="Quantum numbers group number")
+
+    @classmethod
+    def from_str(cls, line: str) -> "ResonanceEntry":
+        """Parse a resonance entry from a fixed-width format line"""
+        if not line.strip():
+            raise ValueError("Empty line provided")
+
+        # Make sure line is at least 80 characters
+        line = f"{line:<80}"
+
+        # Check for special cases we don't support
+        x_value = line[RESONANCE_FORMAT["x_value"]].strip()
+
+        if x_value:
+            try:
+                x_float = float(x_value)
+                if x_float < 0:
+                    raise UnsupportedFormatError(
+                        "SORRY! While SAMMY allows multi-line resonance entries (indicated by negative "
+                        "X value in columns 68-80), this implementation does not support this feature yet."
+                    )
+            except UnsupportedFormatError:
+                raise  # Reraise the error
+            except ValueError as e:
+                logger.error(f"Failed to parse X value: {e}")
+                pass
+
+        params = {}
+
+        # Parse each field according to format (excluding x_value)
+        for field, slice_obj in RESONANCE_FORMAT.items():
+            if field == "x_value":  # Skip X value in parsing
+                continue
+
+            value = line[slice_obj].strip()
+
+            if value:  # Only process non-empty fields
+                if field.startswith("vary_"):
+                    try:
+                        params[field] = VaryFlag(int(value))
+                    except (ValueError, TypeError):
+                        params[field] = VaryFlag.NO
+                elif field == "igroup":
+                    params[field] = safe_parse(value, as_int=True) or 1
+                else:
+                    parsed_value = safe_parse(value)
+                    if parsed_value is not None:
+                        params[field] = parsed_value
+
+        return cls(**params)
+
+    def to_str(self) -> str:
+        """Convert the resonance entry to fixed-width format string"""
+        line = " " * 80
+
+        def format_float(value: Optional[float]) -> str:
+            if value is None:
+                return " " * 11
+            return f"{value:11.4E}"
+
+        def format_vary(value: VaryFlag) -> str:
+            return f"{value.value:2d}"
+
+        updates = {
+            "resonance_energy": format_float(self.resonance_energy),
+            "capture_width": format_float(self.capture_width),
+            "channel1_width": format_float(self.channel1_width),
+            "channel2_width": format_float(self.channel2_width),
+            "channel3_width": format_float(self.channel3_width),
+            "vary_energy": format_vary(self.vary_energy),
+            "vary_capture_width": format_vary(self.vary_capture_width),
+            "vary_channel1": format_vary(self.vary_channel1),
+            "vary_channel2": format_vary(self.vary_channel2),
+            "vary_channel3": format_vary(self.vary_channel3),
+            "igroup": f"{self.igroup:2d}",
+        }
+
+        for field, formatted_value in updates.items():
+            slice_obj = RESONANCE_FORMAT[field]
+            line = f"{line[:slice_obj.start]}{formatted_value}{line[slice_obj.stop:]}"
+
+        return line.rstrip()
+
+
+if __name__ == "__main__":
+    # Enable logging for debugging
+    logging.basicConfig(level=logging.DEBUG)
+    # Test with regular cases
+    good_examples = [
+        "-3.6616E+06 1.5877E+05 3.6985E+09                       0 0 1     1",
+        "-8.7373E+05 1.0253E+03 1.0151E+02                       0 0 1     1",
+    ]
+
+    logging.debug("**Testing valid formats**")
+    for i, line in enumerate(good_examples):
+        entry = ResonanceEntry.from_str(line)
+        logging.debug(f"Example {i+1}:")
+        logging.debug(f"Original: {line}")
+        logging.debug(f"Parsed: {entry}")
+        logging.debug(f"Reformatted: {entry.to_str()}")
+
+    # Test with special case (should raise error)
+    logging.debug("**Testing unsupported format**")
+    try:
+        # Make sure the negative value is properly aligned in columns 68-80
+        bad_line = "-3.6616E+06 1.5877E+05 3.6985E+09                       0 0 1     1    -1.234"
+        logging.debug(f"Testing line: '{bad_line}'")
+        logging.debug(f"Length before padding: {len(bad_line)}")
+        ResonanceEntry.from_str(bad_line)
+    except UnsupportedFormatError as e:
+        logging.debug("Caught expected error for unsupported format:")
+        logging.debug(str(e))
+
+    # Let's also try with a malformed line to make sure our padding doesn't hide issues
+    logging.debug("**Testing malformed format**")
+    try:
+        malformed_line = "-3.6616E+06 1.5877E+05 3.6985E+09 -1.234"  # Clearly wrong format
+        ResonanceEntry.from_str(malformed_line)
+        logging.debug("No error raised for malformed format!")
+    except ValueError as e:
+        logging.debug("Caught expected error for malformed line:", str(e))
diff --git a/src/pleiades/sammy/parameters/unused_var.py b/src/pleiades/sammy/parameters/unused_var.py
new file mode 100644
index 0000000..a02fb7f
--- /dev/null
+++ b/src/pleiades/sammy/parameters/unused_var.py
@@ -0,0 +1,239 @@
+#!/usr/bin/env python
+"""Data class for card 05::unused but correlated variables."""
+
+import logging
+from typing import List
+
+from pydantic import BaseModel, Field, model_validator
+
+from pleiades.sammy.parameters.helper import safe_parse
+
+# Format definitions for fixed-width fields
+# Name line has 8 possible 5-character fields separated by 5 spaces
+FORMAT_NAMES = {f"name{i}": slice(i * 10, i * 10 + 5) for i in range(8)}
+
+# Value line has 8 possible 10-character fields
+FORMAT_VALUES = {f"value{i}": slice(i * 10, (i + 1) * 10) for i in range(8)}
+
+CARD_5_HEADER = "UNUSEd but correlated variables come next"
+
+
+class UnusedVariable(BaseModel):
+    """Container for a single unused but correlated variable.
+
+    Contains:
+    - name: 5-character name of the variable
+    - value: Numerical value of the variable
+    """
+
+    name: str = Field(description="Name of the unused variable (5 chars)")
+    value: float = Field(description="Value of the unused variable")
+
+    @model_validator(mode="after")
+    def validate_name_length(self) -> "UnusedVariable":
+        """Validate that name is exactly 5 characters."""
+        if len(self.name) != 5:
+            self.name = f"{self.name:<5}"  # Pad with spaces if needed
+        return self
+
+
+class UnusedCorrelatedParameters(BaseModel):
+    """Container for a set of unused but correlated variables.
+
+    Contains:
+    - variables: List of UnusedVariable objects
+    """
+
+    variables: List[UnusedVariable] = Field(default_factory=list)
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "UnusedCorrelatedParameters":
+        """Parse unused correlated parameters from pairs of name/value lines.
+
+        Args:
+            lines: List of input lines (excluding header)
+
+        Returns:
+            UnusedCorrelatedParameters: Parsed parameters
+
+        Raises:
+            ValueError: If lines are invalid or required data is missing
+        """
+        if not lines or len(lines) < 2:
+            raise ValueError("At least one pair of name/value lines required")
+
+        variables = []
+
+        # Process pairs of lines (names followed by values)
+        for i in range(0, len(lines), 2):
+            if i + 1 >= len(lines):
+                break
+
+            name_line = f"{lines[i]:<80}"  # Pad to full width
+            value_line = f"{lines[i+1]:<80}"
+
+            # Extract all non-empty names and corresponding values
+            for j in range(8):
+                name = name_line[FORMAT_NAMES[f"name{j}"]].strip()
+                if name:
+                    value_str = value_line[FORMAT_VALUES[f"value{j}"]].strip()
+                    value = safe_parse(value_str)
+                    if value is not None:
+                        variables.append(UnusedVariable(name=name, value=value))
+
+        return cls(variables=variables)
+
+    def to_lines(self) -> List[str]:
+        """Convert the parameters to a list of fixed-width format lines.
+
+        Returns:
+            List[str]: Lines representing the parameters
+        """
+        lines = []
+
+        # Process variables in groups of 8
+        for i in range(0, len(self.variables), 8):
+            group = self.variables[i : i + 8]
+
+            # Format name line
+            names = [""] * 8
+            for j, var in enumerate(group):
+                names[j] = f"{var.name:<5}"
+            name_line = "     ".join(names).rstrip()
+            lines.append(name_line)
+
+            # Format value line
+            values = ["          "] * 8  # 10 spaces each
+            for j, var in enumerate(group):
+                values[j] = f"{var.value:10.4E}"
+            value_line = "".join(values[: len(group)])
+            lines.append(value_line)
+
+        return lines
+
+
+class UnusedCorrelatedCard(BaseModel):
+    """Container for a complete unused correlated variable card set (Card Set 5).
+
+    This class handles a complete card set, including:
+    - Header line
+    - Parameter entries
+    - Trailing blank line
+    """
+
+    parameters: UnusedCorrelatedParameters
+
+    @classmethod
+    def is_header_line(cls, line: str) -> bool:
+        """Check if line is a valid header line.
+
+        Args:
+            line: Input line to check
+
+        Returns:
+            bool: True if line is a valid header
+        """
+        return line.strip().upper().startswith("UNUSE")
+
+    @classmethod
+    def from_lines(cls, lines: List[str]) -> "UnusedCorrelatedCard":
+        """Parse a complete card set from lines.
+
+        Args:
+            lines: List of input lines including header
+
+        Returns:
+            UnusedCorrelatedCard: Parsed card set
+
+        Raises:
+            ValueError: If no valid header found or invalid format
+        """
+        if not lines:
+            raise ValueError("No lines provided")
+
+        # Validate header
+        if not cls.is_header_line(lines[0]):
+            raise ValueError(f"Invalid header line: {lines[0]}")
+
+        # Parse parameters (skip header and trailing blank lines)
+        content_lines = [line for line in lines[1:] if line.strip()]
+        if not content_lines:
+            raise ValueError("No parameter lines found")
+
+        parameters = UnusedCorrelatedParameters.from_lines(content_lines)
+        return cls(parameters=parameters)
+
+    def to_lines(self) -> List[str]:
+        """Convert the card set to a list of lines.
+
+        Returns:
+            List[str]: Lines including header and parameters
+        """
+        lines = [CARD_5_HEADER]
+        lines.extend(self.parameters.to_lines())
+        lines.append("")  # Trailing blank line
+        return lines
+
+
+if __name__ == "__main__":
+    # Enable logging for debugging
+    logging.basicConfig(level=logging.DEBUG)
+
+    # Test example with two groups of variables
+    logging.debug("**Testing variable parsing**")
+    test_lines = [
+        (" " * 5).join([f"NVAR{i}" for i in range(1, 4)]),
+        "1.2304E+002.9800E+021.5000E-01",
+        (" " * 5).join([f"NVAR{i}" for i in range(4, 6)]),
+        "2.5000E-021.0000E+00",
+    ]
+
+    try:
+        params = UnusedCorrelatedParameters.from_lines(test_lines)
+        logging.debug("Successfully parsed parameters:")
+        for var in params.variables:
+            logging.debug(f"{var.name}: {var.value}")
+        logging.debug("\nOutput lines:")
+        for line in params.to_lines():
+            logging.debug(f"'{line}'")
+        logging.debug("")
+    except ValueError as e:
+        logging.error(f"Failed to parse parameters: {e}")
+
+    # Test complete card set
+    logging.debug("**Testing complete card set**")
+    card_lines = [
+        "UNUSEd but correlated variables come next",
+        (" " * 5).join([f"NVAR{i}" for i in range(1, 4)]),
+        "1.2340E+002.9800E+021.5000E-01 ",
+        (" " * 5).join([f"NVAR{i}" for i in range(4, 6)]),
+        "2.5000E-021.0000E+00",
+        "",
+    ]
+
+    try:
+        card = UnusedCorrelatedCard.from_lines(card_lines)
+        logging.debug("Successfully parsed complete card set")
+        logging.debug("Output lines:")
+        for line in card.to_lines():
+            logging.debug(f"'{line}'")
+    except ValueError as e:
+        logging.error(f"Failed to parse complete card set: {e}")
+
+    # Test error handling
+    logging.debug("\n**Testing Error Handling**")
+
+    # Test invalid header
+    try:
+        bad_lines = ["WRONG header line", "NVAR1", "1.2340E+00", ""]
+        logging.debug("Testing invalid header:")
+        UnusedCorrelatedCard.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for invalid header: {e}")
+
+    # Test mismatched name/value lines
+    try:
+        bad_lines = ["NVAR1     NVAR2", "1.2340E+00"]  # Missing value
+        UnusedCorrelatedParameters.from_lines(bad_lines)
+    except ValueError as e:
+        logging.debug(f"Caught expected error for mismatched lines: {e}")
diff --git a/src/pleiades/sammy/parfile.py b/src/pleiades/sammy/parfile.py
new file mode 100644
index 0000000..369ba2e
--- /dev/null
+++ b/src/pleiades/sammy/parfile.py
@@ -0,0 +1,41 @@
+#!/usr/bin/env python
+"""Top level parameter file handler for SAMMY."""
+
+from typing import Optional
+
+from pydantic import BaseModel, Field
+
+from pleiades.sammy.parameters import (
+    BroadeningParameterCard,
+    ExternalREntry,
+    NormalizationBackgroundCard,
+    ResonanceEntry,
+    UnusedCorrelatedCard,
+)
+
+
+class SammyParameterFile(BaseModel):
+    """Top level parameter file for SAMMY."""
+
+    resonance: ResonanceEntry = Field(description="Resonance parameters")
+    fudge: float = Field(0.1, description="Fudge factor", ge=0.0, le=1.0)
+    # Add additional optional cards
+    external_r: Optional[ExternalREntry] = Field(None, description="External R matrix")
+    broadening: Optional[BroadeningParameterCard] = Field(None, description="Broadening parameters")
+    unused_correlated: Optional[UnusedCorrelatedCard] = Field(None, description="Unused but correlated variables")
+    normalization: Optional[NormalizationBackgroundCard] = Field(None, description="Normalization and background parameters")
+
+    @classmethod
+    def from_file(cls, file_path):
+        """Load a SAMMY parameter file from disk."""
+        with open(file_path, "r") as f:
+            lines = f.readlines()
+
+        # Parse resonance card
+        resonance = ResonanceEntry.from_str(lines[0])
+
+        return cls(resonance=resonance)
+
+
+if __name__ == "__main__":
+    print("TODO: usage example for SAMMY parameter file handling")
diff --git a/src/pleiades/utils/__init__.py b/src/pleiades/utils/__init__.py
new file mode 100644
index 0000000..e69de29
diff --git a/tests/data/config/sammy_runner.yaml b/tests/data/config/sammy_runner.yaml
new file mode 100644
index 0000000..55b73e2
--- /dev/null
+++ b/tests/data/config/sammy_runner.yaml
@@ -0,0 +1,18 @@
+backend: docker
+working_dir: {working_dir}
+output_dir: {output_dir}
+
+local:
+  sammy_executable: sammy
+  shell_path: /bin/bash
+
+docker:
+  image_name: kedokudo/sammy-docker
+  container_working_dir: /sammy/work
+  container_data_dir: /sammy/data
+
+nova:
+  url: ${NOVA_URL}
+  api_key: ${NOVA_API_KEY}
+  tool_id: neutrons_imaging_sammy
+  timeout: 3600
diff --git a/tests/data/ex012/README.FIRST b/tests/data/ex012/README.FIRST
new file mode 100755
index 0000000..83fb709
--- /dev/null
+++ b/tests/data/ex012/README.FIRST
@@ -0,0 +1,64 @@
+##########################################################################
+### PURPOSE of Exercise EX012:  Learn to treat multiple nuclides in a sample
+
+
+### DESCRIPTION:
+
+    In a real experiment, the sample usually contains more than one
+	nuclide.  There may be several isotopes of the same element, the
+	sample may be an oxide or other chemical compound, or there may be
+	contaminants.
+
+    The treatment for all of these is the same:  Include spin groups and
+	resonance parameters for any and all nuclides.  Assign the
+	appropriate abundances for each nuclide; search for the correct
+	values of the abundances if needed.
+
+
+### INSTRUCTIONS:
+
+(1) File ex012a.dat is "real data" for transmission through natural
+    silicon, taken on the 200-meter flight path at ORELA.  In the INPut
+    file (ex012a.inp), spin groups 1 through 7 correspond to Si28, 8-17 to
+    Si29, and 18-22 to Si30.  Spin groups 23-29, which correspond to
+    Oxygen-16, are defined, but do not enter into this calculation (the
+    "X" in column 5 for those spin groups means that these are to be
+    eXcluded); oxygen is included in the INPut and PARameter files because
+    the complete analysis used data on Si29- and Si30-oxide samples.
+    (Those data are not included in this exercise.)
+
+    Note that the resonances in the parameter file ex012a.par are grouped
+    by nuclide, not by energy.  This is the analyst's choice -- SAMMY has
+    no requirements regarding the ordering of the resonances in the PAR
+    file.
+ 
+    Two Card Sets at the end of the PAR file give more information about
+    the spin groups and/or nuclides.  The "radius" Card Set defines the
+    radii for the odd and even el-values of Si28, for Si29, for Si30, and
+    for Oxygen.  The "isotopic masses and abundances" Card Set provides
+    masses (in amu) and abundances (relative by weight) for the four
+    nuclides.  Some of this information is also given in the INP file;
+    however, the PAR file values take precedent.  In other words, values
+    given in the PAR file are the ones which will be used.  (This is
+    almost always true; there are, however, some cases in which a flag of
+    "-2" tells SAMMY to use the value from the INPut file.)
+
+    SAMMY does require consistency between the two Card Sets, in the sense
+    that spin groups which have the same radius must also belong to the
+    same nuclide.  E.g., spin groups 1 and 4 both belong to Si28.  Spin
+    groups 18 and 23, which belong to Si30 and Oxygen, respectively, must
+    have separate radii defined even though the two have the same value
+    (4.2 Fermi).
+
+    Run this case; see answers/ex012a* for results.  Note that the initial
+    values of the abundance for Si28 was wrong, but the SAMMY run provided 
+    a more reasonable result.
+
+(2) An easy way to study the contribution from just one isotope (or
+    nuclide or spin group) is to "X" the other spin groups.  Play around
+    with this -- what is the contribution due only to Si28, for example?
+    How about s-waves only?
+
+    See answers/ex012b* for Si28 p waves.
+
+##########################################################################
diff --git a/tests/data/ex012/answers/aa b/tests/data/ex012/answers/aa
new file mode 100755
index 0000000..3204721
--- /dev/null
+++ b/tests/data/ex012/answers/aa
@@ -0,0 +1,7 @@
+par ex012aa.par
+odf ex012aa.odf
+ops 1 1 1 1 1 1
+x
+1 dtb 800.,1100.
+
+q
diff --git a/tests/data/ex012/answers/ab b/tests/data/ex012/answers/ab
new file mode 100755
index 0000000..664a7e0
--- /dev/null
+++ b/tests/data/ex012/answers/ab
@@ -0,0 +1,8 @@
+par ex012a.par
+odf ex012bb.odf
+ops 1 1 1 1 1 1
+avg 6
+x
+1 dt  300.,1800.
+
+q
diff --git a/tests/data/ex012/answers/ex012aa.lpt b/tests/data/ex012/answers/ex012aa.lpt
new file mode 100755
index 0000000..4ac08be
--- /dev/null
+++ b/tests/data/ex012/answers/ex012aa.lpt
@@ -0,0 +1,653 @@
+
+ **********************************************************
+ ***                                                    ***
+ ***                 SAMMY Version 8.0.0                ***
+ ***                                                    ***
+ **********************************************************
+
+ Name of input file: 
+ >>> ex012a.inp                                                             <<<
+ Name of parameter file: 
+ >>> ex012a.par                                                             <<<
+ Values used for constants -- Kvendf=1
+   mass of neutron =   1.008664915600000 in amu
+   sqrt(m/2)       =  72.298252179105063
+   sqrt(2m)/hbar   =   0.000219680775849
+   Boltzman        =   0.000086173430000
+   finestructure   =   0.034447599938334 in 1/(amu*F)
+ GENERATE ODF FILE AUtomatically                                               
+ Name of experimental data file is: 
+ >>> ex012a.dat                                                             <<<
+ Emin and Emax =    300000.      1.800000E+06
+
+
+ *****************************************************************************
+ *****                                                                   *****
+ ***** example ex012:  multiple nuclides (Natural Si -- 200 m flight pat *****
+ ***** h)                                                                *****
+ *****************************************************************************
+
+
+ Input quantities from line number 2 are:
+   Alfnm1, Alfnm2 = ##Si        ##       Atomic Weight =  27.976928
+   Nepnts Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      0      0      0      0      0      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2      0      0
+Adjusted  Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      0     50      0      9      5      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2      0      0
+
+
+ TARGET ELEMENT IS Si        
+ ATOMIC WEIGHT IS  27.976928
+
+
+ *********** Alphanumeric Control Information *********
+
+ CSISRS                                  
+ CHI SQUARED IS WANTED                   
+ DO NOT SUPPRESS ANY intermediate results
+ ODF FILE IS WANTED--SAMMY.ODF ,ZERO-TH O
+ PRINT BAYES CHI SQUARED                 
+ SOLVE BAYES EQUATIONS                   
+ PRINT VARIED INPUT PARAMETERS           
+                                         
+ **** end of Alphanumeric Control Information *********
+
+
+ ### Estimated array size for SAMMY-INP is       5799 ###
+
+ Effective Temperature= 300.00000
+    Flight Path= 200.00000 Meters +/-   0.18223/2 Meters
+      Deltae=     0.00000    Deltag=     0.00252
+      Delttt=     0.00000    Elowbr=  0.00000000
+
+ Target Thickness=  0.3472    
+
+ **** Data type is <<< TRANSMISSION         >>> ****
+
+ Spin of incident particle is  0.5
+       #of  #of
+ Group Ent  Exit Jspin Relative  Ispin  g    Chn Lpnt Ishift eL Chspn
+    #  Chn  Chn         Abndnc                 #
+    1    1    1    0.5  0.9223    0.0 1.0000
+                                               1   1   0     0   0.5    
+                                               2   1   0     2   1.5    
+    2    1    1   -0.5  0.9223    0.0 1.0000
+                                               1   1   0     1   0.5    
+                                               2   1   0     1   0.5    
+    3    1    1   -1.5  0.9223    0.0 2.0000
+                                               1   1   0     1   0.5    
+                                               2   1   0     1   0.5    
+    4    1    2    1.5  0.9223    0.0 2.0000
+                                               1   1   0     2   0.5    
+                                               2   1   0     2   0.5    
+                                               3   1   0     0   1.5    
+    5    1    2    2.5  0.9223    0.0 3.0000
+                                               1   1   0     2   0.5    
+                                               2   1   0     2   0.5    
+                                               3   1   0     0   2.5    
+    6    1    2   -2.5  0.9223    0.0 3.0000
+                                               1   1   0     3   0.5    
+                                               2   1   0     3   0.5    
+                                               3   1   0     1   2.5    
+    7    1    2   -3.5  0.9223    0.0 4.0000
+                                               1   1   0     3   0.5    
+                                               2   1   0     3   0.5    
+                                               3   1   0     1   2.5    
+    8    1    0    0.0  0.0467    0.5 0.2500
+                                               1   1   0     0   0.0    
+    9    1    0    1.0  0.0467    0.5 0.7500
+                                               1   1   0     0   1.0    
+   10    1    0   -1.0  0.0467    0.5 0.7500
+                                               1   1   0     1   0.0    
+   11    1    0    0.0  0.0467    0.5 0.2500
+                                               1   1   0     1   1.0    
+   12    1    0   -1.0  0.0467    0.5 0.7500
+                                               1   1   0     1   1.0    
+   13    1    0   -2.0  0.0467    0.5 1.2500
+                                               1   1   0     1   1.0    
+   14    1    0    2.0  0.0467    0.5 1.2500
+                                               1   1   0     2   0.0    
+   15    1    0    1.0  0.0467    0.5 0.7500
+                                               1   1   0     2   1.0    
+   16    1    0    2.0  0.0467    0.5 1.2500
+                                               1   1   0     2   1.0    
+   17    1    0    3.0  0.0467    0.5 1.7500
+                                               1   1   0     2   1.0    
+   18    1    0    0.5  0.0310    0.0 1.0000
+                                               1   1   0     0   0.5    
+   19    1    0   -0.5  0.0310    0.0 1.0000
+                                               1   1   0     1   0.5    
+   20    1    0   -1.5  0.0310    0.0 2.0000
+                                               1   1   0     1   0.5    
+   21    1    0    1.5  0.0310    0.0 2.0000
+                                               1   1   0     2   0.5    
+   22    1    0    2.5  0.0310    0.0 3.0000
+                                               1   1   0     2   0.5    
+   23    1    0    0.5  2.0000    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     0   0.5    
+   24    1    0   -0.5  2.0000    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     1   0.5    
+   25    1    0   -1.5  2.0000    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     1   0.5    
+   26    1    0    1.5  2.0000    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+   27    1    0    2.5  2.0000    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+   28    1    0   -2.5  2.0000    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     3   0.5    
+   29    1    0   -3.5  2.0000    0.0 4.0000 ** Excluded Spin Group **
+                                               1   1   0     3   0.5    
+
+__________________________
+ group  channel   Enbnd         Echan         z1    z2         m1        m2
+     1     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     2     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     3     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     4     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     5     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     6     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     7     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     8     1     0.00000       0.00000         0     0   28.976496  1.008665
+     9     1     0.00000       0.00000         0     0   28.976496  1.008665
+    10     1     0.00000       0.00000         0     0   28.976496  1.008665
+    11     1     0.00000       0.00000         0     0   28.976496  1.008665
+    12     1     0.00000       0.00000         0     0   28.976496  1.008665
+    13     1     0.00000       0.00000         0     0   28.976496  1.008665
+    14     1     0.00000       0.00000         0     0   28.976496  1.008665
+    15     1     0.00000       0.00000         0     0   28.976496  1.008665
+    16     1     0.00000       0.00000         0     0   28.976496  1.008665
+    17     1     0.00000       0.00000         0     0   28.976496  1.008665
+    18     1     0.00000       0.00000         0     0   29.973772  1.008665
+    19     1     0.00000       0.00000         0     0   29.973772  1.008665
+    20     1     0.00000       0.00000         0     0   29.973772  1.008665
+    21     1     0.00000       0.00000         0     0   29.973772  1.008665
+    22     1     0.00000       0.00000         0     0   29.973772  1.008665
+    23     1     0.00000       0.00000         0     0   16.000000  1.008665
+    24     1     0.00000       0.00000         0     0   16.000000  1.008665
+    25     1     0.00000       0.00000         0     0   16.000000  1.008665
+    26     1     0.00000       0.00000         0     0   16.000000  1.008665
+    27     1     0.00000       0.00000         0     0   16.000000  1.008665
+    28     1     0.00000       0.00000         0     0   16.000000  1.008665
+    29     1     0.00000       0.00000         0     0   16.000000  1.008665
+__________________________
+ 
+ ### Array size used for SAMMY-INP is       6829 ###
+ ### Estimated array size for SAMMY-PAR is       8010 ###
+
+ Total  number of resonances is  162
+ Number of particle channels is    3
+ Number of spin groups is         29
+ Number of flagged parametrs is    5
+ Number of varied parameters is    5
+ Number of nuclides is             4
+ ### Array size used for SAMMY-PAR is       8115 ###
+ ### Estimated array size for SAMMY-NEW is       6491 ###
+
+
+
+
+ ***** INITIAL VALUES FOR PARAMETERS                     
+
+ SPIN GROUP NUMBER  1  WITH SPIN=  0.5, ABUNDANCE=  1.0000(  3), AND G= 1.0000
+                effective radius =  4.1364E+00       4.1364E+00     
+                   "true" radius =  4.1364E+00       4.1364E+00     
+      ENERGY          GAMMA-          GAMMA-           GAMMA-
+                      GAMMA          Inc Chan         PPair #2
+                                    L=0  SPIN= 0.5   L=2  SPIN= 1.5
+       (eV)        (MILLI-EV)       (MILLI-EV)       (MILLI-EV)
+ -3.66160E+06      1.5877E+05       3.6985E+09(  1)  0.0000E+00     
+ -8.73730E+05      1.0253E+03       1.0151E+02(  2)  0.0000E+00     
+
+
+ EFFECTIVE RADIUS    "TRUE" RADIUS  SPIN GROUP NUMBER FOR THESE RADII
+                                       # channel numbers
+    4.1364200        4.1364200       1 #  1  2  3
+                                     4 #  1  2  3
+                                     5 #  1  2  3
+    4.9437200        4.9437200       2 #  1  2  3
+                                     3 #  1  2  3
+                                     6 #  1  2  3
+                                     7 #  1  2  3
+    4.4000000        4.4000000       8 #  1  2  3
+                                     9 #  1  2  3
+                                    10 #  1  2  3
+                                    11 #  1  2  3
+                                    12 #  1  2  3
+                                    13 #  1  2  3
+                                    14 #  1  2  3
+                                    15 #  1  2  3
+                                    16 #  1  2  3
+                                    17 #  1  2  3
+    4.2000000        4.2000000      18 #  1  2  3
+                                    19 #  1  2  3
+                                    20 #  1  2  3
+                                    21 #  1  2  3
+                                    22 #  1  2  3
+    4.2000000        4.2000000      23 #  1  2  3
+                                    24 #  1  2  3
+                                    25 #  1  2  3
+                                    26 #  1  2  3
+                                    27 #  1  2  3
+                                    28 #  1  2  3
+                                    29 #  1  2  3
+
+
+  Isotopic abundance and mass for each nuclide --
+ Nuclide    Abundance            Mass        Spin groups
+    1        1.000    (  3)      27.9769      1  2  3  4  5  6  7
+    2       4.6700E-02(  4)      28.9765      8  9 10 11 12 13 14 15 16 17
+    3       3.1000E-02(  5)      29.9738     18 19 20 21 22
+    4        1.000               16.0000     23 24 25 26 27 28 29
+
+
+  TEMPERATURE      THICKNESS
+  3.0000E+02       3.4716E-01     
+
+    DELTA-L         DELTA-T-GAUS     DELTA-T-EXP
+  1.8223E-01       2.5180E-03       0.0000E+00     
+
+
+
+ ***** CORRELATION MATRIX FOR INPUT PARAMETERS           
+
+ ***** STANDARD DEVIATION (SQRT OF DIAGONAL OF COV MATRX)
+
+        STD. DEV.           STD. DEV.           STD. DEV.           STD. DEV. 
+ (  1)  3.6985E+08   (  2)   10.15       (  3)  0.9200       (  4)  5.0000E-02
+ (  5)  2.0000E-02
+ 
+ ### Array size used for SAMMY-NEW is       6979 ###
+ Emin   300000.     is less than the minimum energy in the data set
+ Emin has been changed to   300001.    
+ First 5 energies=
+     300003.5       300026.0       300048.6       300071.2       300093.7    
+ Last  5 energies=
+     1799827.       1799495.       1799163.       1798831.       1798500.    
+ Emax  1.800000E+06 is greater than the maximum energy in the data set
+ Emax has been changed to  1.799868E+06
+ First 5 energies=
+     300003.5       300026.0       300048.6       300071.2       300093.7    
+ Last  5 energies=
+     1799827.       1799495.       1799163.       1798831.       1798500.    
+     Emind               Emins               Eminr               Emin
+   298650.6726016077   298871.5528528391   298871.5528528391   300000.6537499999
+     Emax                Emaxr               Emaxs               Emaxd
+  1799868.1037500002  1807023.7054032285  1807023.7054032285  1807566.9675226703
+
+   DOPPLER WIDTHS
+   Nuclide     Doppler Width (eV)           Doppler FWHM (eV)
+   Number      at Emin       at Emax        at Emin       at Emax
+      1        33.4435       81.9164       55.6871       136.400    
+      2        32.8616       80.4912       54.7182       134.027    
+      3        32.3103       79.1408       53.8002       131.778    
+      4        44.2234       108.321       73.6367       180.366    
+
+ Gaussian Resolution Width at Emin =   225.820     and at Emax =   1431.12    
+  
+      E(keV)    Dopp_FWHM(keV)  Resol_FWHM(keV)  Both_FWHM(keV)
+    300.000654         0.0736         0.3760         0.3832
+   1049.934379         0.1378         1.3535         1.3605
+   1799.868104         0.1804         2.3830         2.3898
+  
+ ### Estimated array size for SAMMY-DAT is   32437024 +    32500000 ###
+
+ Energy range of data is from 3.00001E+05 to 1.79987E+06 eV.
+ Number of experimental data points =   15736
+
+
+ ** 30 resonances have fewer than 9 points across width
+ Number of points in auxiliary grid =   16630
+ ### Array size used for SAMMY-DAT is   32437021 +    32500000 ###
+ ### Estimated array size for SAMMY-THE is      86195 ###
+ Number of parameters affected by this data set=    5
+ ### Array size used for SAMMY-THE is      86194 ###
+ ### Estimated array size for SAMMY-XCT is     360200 ###
+ ### Array size used for SAMMY-XCT is     354090 ###
+ ### Estimated array size for SAMMY-FGM is     387349 ###
+ ### Array size used for SAMMY-FGM is     387349 ###
+ ### Estimated array size for SAMMY-RSL is     437034 ###
+ ### Array size used for SAMMY-RSL is     420445 ###
+ ### Estimated array size for SAMMY-INT is     386458 ###
+ ### Array size used for SAMMY-INT is     386459 ###
+ ### Estimated array size for SAMMY-SQU is     354124 ###
+ ### Array size used for SAMMY-SQU is     354124 ###
+ ### Estimated array size for SAMMY-IPQ is     354089 ###
+
+ CUSTOMARY CHI SQUARED =   188355.    
+ CUSTOMARY CHI SQUARED DIVIDED BY NDAT =   11.9697    
+
+ BAYESIAN CHI SQUARED =   53736.0    
+ BAYESIAN CHI SQUARED DIVIDED BY NDAT =   3.41485    
+ ### Array size used for SAMMY-IPQ is     251621 ###
+ ### Estimated array size for SAMMY-FIN is     204449 ###
+
+
+
+
+ ***** INTERMEDIATE VALUES FOR RESONANCE PARAMETERS      
+
+ SPIN GROUP NUMBER  1  WITH SPIN=  0.5, ABUNDANCE=  0.9266(  3), AND G= 1.0000
+                effective radius =  4.1364E+00       4.1364E+00     
+                   "true" radius =  4.1364E+00       4.1364E+00     
+      ENERGY          GAMMA-          GAMMA-           GAMMA-
+                      GAMMA          Inc Chan         PPair #2
+                                    L=0  SPIN= 0.5   L=2  SPIN= 1.5
+       (eV)        (MILLI-EV)       (MILLI-EV)       (MILLI-EV)
+ -3.66160E+06      1.5877E+05       4.1011E+09(  1)  0.0000E+00     
+ -8.73730E+05      1.0253E+03       1.0151E+02(  2)  0.0000E+00     
+
+
+ EFFECTIVE RADIUS    "TRUE" RADIUS  SPIN GROUP NUMBER FOR THESE RADII
+                                       # channel numbers
+    4.1364200        4.1364200       1 #  1  2  3
+                                     4 #  1  2  3
+                                     5 #  1  2  3
+    4.9437200        4.9437200       2 #  1  2  3
+                                     3 #  1  2  3
+                                     6 #  1  2  3
+                                     7 #  1  2  3
+    4.4000000        4.4000000       8 #  1  2  3
+                                     9 #  1  2  3
+                                    10 #  1  2  3
+                                    11 #  1  2  3
+                                    12 #  1  2  3
+                                    13 #  1  2  3
+                                    14 #  1  2  3
+                                    15 #  1  2  3
+                                    16 #  1  2  3
+                                    17 #  1  2  3
+    4.2000000        4.2000000      18 #  1  2  3
+                                    19 #  1  2  3
+                                    20 #  1  2  3
+                                    21 #  1  2  3
+                                    22 #  1  2  3
+    4.2000000        4.2000000      23 #  1  2  3
+                                    24 #  1  2  3
+                                    25 #  1  2  3
+                                    26 #  1  2  3
+                                    27 #  1  2  3
+                                    28 #  1  2  3
+                                    29 #  1  2  3
+
+
+  Isotopic abundance and mass for each nuclide --
+ Nuclide    Abundance            Mass        Spin groups
+    1       0.9266    (  3)      27.9769      1  2  3  4  5  6  7
+    2       3.9490E-02(  4)      28.9765      8  9 10 11 12 13 14 15 16 17
+    3       2.2304E-02(  5)      29.9738     18 19 20 21 22
+    4        1.000               16.0000     23 24 25 26 27 28 29
+
+
+  TEMPERATURE      THICKNESS
+  3.0000E+02       3.4716E-01     
+
+    DELTA-L         DELTA-T-GAUS     DELTA-T-EXP
+  1.8223E-01       2.5180E-03       0.0000E+00     
+ ### Array size used for SAMMY-FIN is     204459 ###
+ ### Estimated array size for SAMMY-THE is     102105 ###
+ Number of parameters affected by this data set=    5
+ ### Array size used for SAMMY-THE is     102104 ###
+ ### Estimated array size for SAMMY-XCT is     376110 ###
+ ### Array size used for SAMMY-XCT is     370000 ###
+ ### Estimated array size for SAMMY-FGM is     403259 ###
+ ### Array size used for SAMMY-FGM is     403259 ###
+ ### Estimated array size for SAMMY-RSL is     452944 ###
+ ### Array size used for SAMMY-RSL is     436355 ###
+ ### Estimated array size for SAMMY-INT is     402368 ###
+ ### Array size used for SAMMY-INT is     370001 ###
+ ### Estimated array size for SAMMY-IPQ is     369999 ###
+
+ CUSTOMARY CHI SQUARED =   54751.6    
+ CUSTOMARY CHI SQUARED DIVIDED BY NDAT =   3.47939    
+ ### Array size used for SAMMY-IPQ is     267531 ###
+ ### Estimated array size for SAMMY-FIN is     220359 ###
+
+
+
+
+ ***** NEW VALUES FOR RESONANCE PARAMETERS               
+
+ SPIN GROUP NUMBER  1  WITH SPIN=  0.5, ABUNDANCE=  0.9327(  3), AND G= 1.0000
+                effective radius =  4.1364E+00       4.1364E+00     
+                   "true" radius =  4.1364E+00       4.1364E+00     
+      ENERGY          GAMMA-          GAMMA-           GAMMA-
+                      GAMMA          Inc Chan         PPair #2
+                                    L=0  SPIN= 0.5   L=2  SPIN= 1.5
+       (eV)        (MILLI-EV)       (MILLI-EV)       (MILLI-EV)
+ -3.66160E+06      1.5877E+05       4.0753E+09(  1)  0.0000E+00     
+ -8.73730E+05      1.0253E+03       1.0151E+02(  2)  0.0000E+00     
+ Expected          0.0000E+00       1.0155E+02       0.0000E+00
+  Value       +/-  0.0000E+00  +/-  1.0151E+01  +/-  0.0000E+00
+ EV changed        0.0000E+00       4.0753E+09       0.0000E+00
+ parameters   +/-  0.0000E+00  +/-  8.6688E+06  +/-  0.0000E+00
+
+
+ EFFECTIVE RADIUS    "TRUE" RADIUS  SPIN GROUP NUMBER FOR THESE RADII
+                                       # channel numbers
+    4.1364200        4.1364200       1 #  1  2  3
+                                     4 #  1  2  3
+                                     5 #  1  2  3
+    4.9437200        4.9437200       2 #  1  2  3
+                                     3 #  1  2  3
+                                     6 #  1  2  3
+                                     7 #  1  2  3
+    4.4000000        4.4000000       8 #  1  2  3
+                                     9 #  1  2  3
+                                    10 #  1  2  3
+                                    11 #  1  2  3
+                                    12 #  1  2  3
+                                    13 #  1  2  3
+                                    14 #  1  2  3
+                                    15 #  1  2  3
+                                    16 #  1  2  3
+                                    17 #  1  2  3
+    4.2000000        4.2000000      18 #  1  2  3
+                                    19 #  1  2  3
+                                    20 #  1  2  3
+                                    21 #  1  2  3
+                                    22 #  1  2  3
+    4.2000000        4.2000000      23 #  1  2  3
+                                    24 #  1  2  3
+                                    25 #  1  2  3
+                                    26 #  1  2  3
+                                    27 #  1  2  3
+                                    28 #  1  2  3
+                                    29 #  1  2  3
+
+
+  Isotopic abundance and mass for each nuclide --
+ Nuclide    Abundance            Mass        Spin groups
+    1       0.9327    (  3)      27.9769      1  2  3  4  5  6  7
+    2       3.8773E-02(  4)      28.9765      8  9 10 11 12 13 14 15 16 17
+    3       2.1778E-02(  5)      29.9738     18 19 20 21 22
+    4        1.000               16.0000     23 24 25 26 27 28 29
+
+
+  TEMPERATURE      THICKNESS
+  3.0000E+02       3.4716E-01     
+
+    DELTA-L         DELTA-T-GAUS     DELTA-T-EXP
+  1.8223E-01       2.5180E-03       0.0000E+00     
+
+
+
+ ***** CORRELATION MATRIX FOR OUTPUT PARAMETERS          
+
+    STD.DEV.  (REL.)   CORRELATION*100
+
+                       1   2   3   4   5
+   1 8.6688E+06 .002 100
+   2  10.15     .100   0 100
+   3 4.4228E-04 .000 -40   0 100
+   4 4.3666E-04 .011 -28   0 -39 100
+   5 4.7877E-04 .022 -27   0 -27 -29 100
+
+
+
+ ***** RATIO OF UNCERTAINTIES ON VARIED PARAMETERS       
+
+        NEW/OLD             NEW/OLD             NEW/OLD             NEW/OLD   
+ (  1)  2.3439E-02   (  2)   1.000       (  3)  4.8074E-04   (  4)  8.7331E-03
+ (  5)  2.3938E-02
+ 
+
+ ***** RATIO OF UNCERTAINTIES ON VARIED U-PARAMETERS     
+
+        NEW/OLD             NEW/OLD             NEW/OLD             NEW/OLD   
+ (  1)  2.2329E-02   (  2)  1.0000       (  3)  4.8074E-04   (  4)  8.7331E-03
+ (  5)  2.3938E-02
+ 
+ ### Array size used for SAMMY-FIN is     222283 ###
+
+
+ *****************************************************************************
+ *****                                                                   *****
+ ***** example ex012:  multiple nuclides (Natural Si -- 200 m flight pat *****
+ ***** h)                                                                *****
+ *****************************************************************************
+
+
+ Input quantities from line number 2 are:
+   Alfnm1, Alfnm2 = ##Si        ##       Atomic Weight =  27.976928
+   Nepnts Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      0      0      0      0      0      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2      0      0
+Adjusted  Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      0     50      0      9      5      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2      0      0
+
+
+ TARGET ELEMENT IS Si        
+ ATOMIC WEIGHT IS  27.976928
+
+
+ *********** Alphanumeric Control Information *********
+
+ CSISRS                                  
+ CHI SQUARED IS WANTED                   
+ DO NOT SUPPRESS ANY intermediate results
+ ODF FILE IS WANTED--SAMMY.ODF ,FINAL VAL
+ DO NOT ALLOW VALUES FOR DATA-RELATED PAR
+ DO NOT PRINT BAYES CHI SQUARED          
+ DO NOT SOLVE BAYES EQUATIONS            
+ DO NOT PRINT ANY INPUT PARAMETERS       
+                                         
+ **** end of Alphanumeric Control Information *********
+
+
+ Name of initial parameter covariance file is: 
+ >>> SAMMY.COV                                                              <<<
+ ### Estimated array size for SAMMY-INP is       5799 ###
+
+ Effective Temperature= 300.00000
+    Flight Path= 200.00000 Meters +/-   0.18223/2 Meters
+      Deltae=     0.00000    Deltag=     0.00252
+      Delttt=     0.00000    Elowbr=  0.00000000
+
+ Target Thickness=  0.3472    
+
+ **** Data type is <<< TRANSMISSION         >>> ****
+
+ Spin of incident particle is  0.5
+__________________________
+ 
+ ### Array size used for SAMMY-INP is       6829 ###
+ ### Estimated array size for SAMMY-PAR is       8010 ###
+
+ Total  number of resonances is  162
+ Number of particle channels is    3
+ Number of spin groups is         29
+ Number of flagged parametrs is    5
+ Number of varied parameters is    5
+ Number of nuclides is             4
+ ### Array size used for SAMMY-PAR is       8095 ###
+ ### Estimated array size for SAMMY-OLD is       6481 ###
+ Number of non-zero off-diagonal cov matrix elements is      10
+
+
+ Broadening (etc.) parameters actually used for this run
+
+     Effective Temperature =   300.000    
+          Sample Thickness =  0.347162    
+ FLIGHT PATH LENGTH (Dist) =   200.000    
+                    DeltaL =  0.182233    
+                    DeltaG =  2.518000E-03
+                    DeltaE =   0.00000    
+ ### Array size used for SAMMY-OLD is       6637 ###
+ Emin   300000.     is less than the minimum energy in the data set
+ Emin has been changed to   300001.    
+ First 5 energies=
+     300003.5       300026.0       300048.6       300071.2       300093.7    
+ Last  5 energies=
+     1799827.       1799495.       1799163.       1798831.       1798500.    
+ Emax  1.800000E+06 is greater than the maximum energy in the data set
+ Emax has been changed to  1.799868E+06
+ First 5 energies=
+     300003.5       300026.0       300048.6       300071.2       300093.7    
+ Last  5 energies=
+     1799827.       1799495.       1799163.       1798831.       1798500.    
+     Emind               Emins               Eminr               Emin
+   298650.6726016077   298871.5528528391   298871.5528528391   300000.6537499999
+     Emax                Emaxr               Emaxs               Emaxd
+  1799868.1037500002  1807023.7054032285  1807023.7054032285  1807566.9675226703
+
+   DOPPLER WIDTHS
+   Nuclide     Doppler Width (eV)           Doppler FWHM (eV)
+   Number      at Emin       at Emax        at Emin       at Emax
+      1        33.4435       81.9164       55.6871       136.400    
+      2        32.8616       80.4912       54.7182       134.027    
+      3        32.3103       79.1408       53.8002       131.778    
+      4        44.2234       108.321       73.6367       180.366    
+
+ Gaussian Resolution Width at Emin =   225.820     and at Emax =   1431.12    
+  
+      E(keV)    Dopp_FWHM(keV)  Resol_FWHM(keV)  Both_FWHM(keV)
+    300.000654         0.0736         0.3760         0.3832
+   1049.934379         0.1378         1.3535         1.3605
+   1799.868104         0.1804         2.3830         2.3898
+  
+ ### Estimated array size for SAMMY-DAT is   32437024 +    32500000 ###
+
+ Energy range of data is from 3.00001E+05 to 1.79987E+06 eV.
+ Number of experimental data points =   15736
+
+
+ ** 30 resonances have fewer than 9 points across width
+ Number of points in auxiliary grid =   16630
+ ### Array size used for SAMMY-DAT is   32437021 +    32500000 ###
+ ### Estimated array size for SAMMY-THE is      86195 ###
+ ### Array size used for SAMMY-THE is      86194 ###
+ ### Estimated array size for SAMMY-XCT is     193270 ###
+ ### Array size used for SAMMY-XCT is     187783 ###
+ ### Estimated array size for SAMMY-FGM is     221042 ###
+ ### Array size used for SAMMY-FGM is     221042 ###
+ ### Estimated array size for SAMMY-RSL is     270727 ###
+ ### Array size used for SAMMY-RSL is     254138 ###
+ ### Estimated array size for SAMMY-INT is     220151 ###
+ ### Array size used for SAMMY-INT is     220152 ###
+ ### Estimated array size for SAMMY-IPQ is     187782 ###
+
+ CUSTOMARY CHI SQUARED =   54111.1    
+ CUSTOMARY CHI SQUARED DIVIDED BY NDAT =   3.43868    
+ ### Array size used for SAMMY-IPQ is     168467 ###
+ ### Estimated array size for SAMMY-FIN is     121245 ###
+ ### Array size used for SAMMY-FIN is       6451 ###
+                              Total time =     9.54 seconds
+ Normal finish to SAMMY
diff --git a/tests/data/ex012/answers/ex012aa.par b/tests/data/ex012/answers/ex012aa.par
new file mode 100755
index 0000000..1e4e7ce
--- /dev/null
+++ b/tests/data/ex012/answers/ex012aa.par
@@ -0,0 +1,207 @@
+-3661600.00 158770.000 4075253.+3  0.0000               0 0 1 0   1
+-873730.000 1025.30000 101.510303  0.0000               0 0 1 0   1
+-365290.000 1000.00000 30.4060000  0.0000               0 0 0 0   1
+-63159.0000 1000.00000 46.8940000  0.0000               0 0 0 0   1
+-48801.0000 1000.00000 9.24960000  0.0000               0 0 0 0   1
+31739.99805 1000.00000 15.6670000  0.0000     0.0000    0 0 0 0 0 5
+55676.96094 1580.30000 653310.000  0.0000               0 0 0 0   1
+67732.84375 2500.00000 2658.90000  0.0000               0 0 0 0   3
+70800.00781 1000.00000 29.6170000  0.0000     0.0000    0 0 0 0 0 5
+86797.35938 2500.00000 726.180000  0.0000               0 0 0 0   3
+181617.5000 5600.00000 34894000.0  0.0000               0 0 0 0   1
+298700.0000 1000.00000 9886.00000  0.0000     0.0000    0 0 0 0 0 5
+301310.8125 3600.00000 2354.80000  0.0000               0 0 0 0   1
+354588.6875 1000.00000 14460.0000  0.0000     0.0000    0 0 0 0 0 5
+399675.9375 660.000000 813.610000  0.0000               0 0 0 0   3
+532659.8750 2500.00000 532810.000  0.0000               0 0 0 0   3
+565576.8750 2900.00000 10953000.0  0.0000               0 0 0 0   3
+587165.7500 8800.00000 199160.000  0.0000               0 0 0 0   2
+590290.1250 3600.00000 523660.000  0.0000               0 0 0 0   1
+602467.3125 3400.00000 50491.0000  0.0000     0.0000    0 0 0 0 0 4
+714043.4375 2500.00000 1216.50000  0.0000               0 0 0 0   3
+771711.9375 1000.00000 53139.0000  0.0000     0.0000    0 0 0 0 0 5
+812491.6250 9700.00000 30100000.0  0.0000               0 0 0 0   3
+845233.8750 2000.00000 397910.000  0.0000     0.0000    0 0 0 0 0 4
+872305.8125 1300.00000 32140.0000  0.0000     0.0000    0 0 0 0 0 5
+910043.5625 1130.00000 3673300.00  0.0000               0 0 0 0   3
+962233.0000 16000.0000 76614000.0  0.0000               0 0 0 0   2
+1017777.188 1000.00000 76192.0000  0.0000     0.0000    0 0 0 0 0 5
+1042856.812 1000.00000 933700.000  0.0000     0.0000    0 0 0 0 0 5
+1085169.250 3600.00000 72794.0000  0.0000               0 0 0 0   1
+1148103.625 1000.00000 3146.90000  0.0000     0.0000    0 0 0 0 0 5
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+1199501.375 7600.00000 14914000.0  0.0000               0 0 0 0   2
+1201238.750 3600.00000 4601200.00  0.0000               0 0 0 0   1
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+1408269.750 2700.00000 5198300.00  0.0000               0 0 0 0   3
+1479927.250 1650.00000 3502500.00  0.0000     0.0000    0 0 0 0 0 4
+1482395.375 8800.00000 886.940000  0.0000               0 0 0 0   2
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+1639561.500 1000.00000 15293000.0  0.0000     0.0000    0 0 0 0 0 5
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+1658595.000 8800.00000 1555300.00  0.0000               0 0 0 0   2
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+1805652.625 2500.00000 1299100.00  0.0000               0 0 0 0   3
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+1852435.250 2500.00000 70707000.0  0.0000               0 0 0 0   3
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+1968869.750 1000.00000 5734100.00  0.0000     0.0000    0 0 0 0 0 5
+3007280.500 3600.00000 289960.000  0.0000               0 0 0 0   1
+3067775.250 3600.00000 422290.000  0.0000               0 0 0 0   1
+-2179600.00 409080.000 1722200.+3                       0 0 0     8
+-860240.000 999.970000 34170000.0                       0 0 0     8
+-431280.000 1005.90000 228510000.                       0 0 0     8
+15282.00000 1646.00000 10000.0000                       0 0 0    10
+38819.00000 2400.00000 75926.0000                       0 0 0    13
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+184456.4844 1500.00000 136740.000                       0 0 0    10
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+566558.4375 3000.00000 70820000.0                       0 0 0    10
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+862003.6875 3000.00000 432930000.                       0 0 0     8
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+1098425.500 3000.00000 57787.0000                       0 0 0    15
+1113807.625 300.000000 76533000.0                       0 0 0    10
+1122279.500 300.000000 4881600.00                       0 0 0    13
+1178601.750 3000.00000 8295900.00                       0 0 0     9
+1192267.500 300.000000 375060.000                       0 0 0    12
+1207629.500 300.000000 19795000.0                       0 0 0    13
+1388859.125 3000.00000 4271400.00                       0 0 0    15
+1769072.750 3000.00000 32136.0000                       0 0 0     8
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+2235.000000 370.000000 932.660000                       0 0 0    20
+4977.000000 600.000000 1122.00000                       0 0 0    19
+183488.8281 6000.00000 9997600.00                       0 0 0    18
+235225.3906 800.000000 115410.000                       0 0 0    21
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+413136.1875 600.000000 1580100.00                       0 0 0    19
+645239.8125 800.000000 401430.000                       0 0 0    21
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+979821.3125 600.000000 591820.000                       0 0 0    19
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+433901.3750 1200.00000 43760000.0                       0 0 0    25
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+5617318.000 1200.00000 33197000.0                       0 0 0    28
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+5912201.500 1200.00000 12942000.0                       0 0 0    29
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+6116665.000 1200.00000 5549900.00                       0 0 0    24
+6389893.000 1200.00000 4935600.00                       0 0 0    29
+6813680.500 1200.00000 3262900.00                       0 0 0    28
+6833136.500 1200.00000 5140500.00                       0 0 0    27
+7373000.000 1200.00000 2400000.00                       0 0 0    24
+8820920.000 1200.00000 1123400.+4                       0 0 0    25
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+15050371.00 1200.00000 634990.000                       0 0 0    23
+25004488.00 1200.00000 6918.60000                       0 0 0    23
+ 
+.100000000
+Channel radii in key-word format
+Radii=  4.136420,  4.136420    Flags=0,-1
+   Group=  1   Chan=  1,  2,
+   Group=  4   Chan=  1,  2,  3,
+   Group=  5   Chan=  1,  2,  3,
+Radii=  4.943720,  4.943720    Flags=0,-1
+   Group=  2   Chan=  1,  2,
+   Group=  3   Chan=  1,  2,
+   Group=  6   Chan=  1,  2,  3,
+   Group=  7   Chan=  1,  2,  3,
+Radii=  4.400000,  4.400000    Flags=0,-1
+   Group=  8   Chan=  1,
+   Group=  9   Chan=  1,
+   Group= 10   Chan=  1,
+   Group= 11   Chan=  1,
+   Group= 12   Chan=  1,
+   Group= 13   Chan=  1,
+   Group= 14   Chan=  1,
+   Group= 15   Chan=  1,
+   Group= 16   Chan=  1,
+   Group= 17   Chan=  1,
+Radii=  4.200000,  4.200000    Flags=0,-1
+   Group= 18   Chan=  1,
+   Group= 19   Chan=  1,
+   Group= 20   Chan=  1,
+   Group= 21   Chan=  1,
+   Group= 22   Chan=  1,
+Radii=  4.200000,  4.200000    Flags=0,-1
+   Group= 23   Chan=  1,
+   Group= 24   Chan=  1,
+   Group= 25   Chan=  1,
+   Group= 26   Chan=  1,
+   Group= 27   Chan=  1,
+   Group= 28   Chan=  1,
+   Group= 29   Chan=  1,
+ 
+NUCLIDE MASSES AND ABUNDANCES FOLLOW
+27.9769290 .93272247 .92000000 1 1 2 3 4 5 6 7
+28.9764960 .03877252 .05000000 1 8 91011121314151617
+29.9737720 .02177828 .02000000 11819202122
+16.0000000 1.0000000 .01000000 023242526272829
+ 
+COVARIANCE MATRIX IS IN BINARY FORM
diff --git a/tests/data/ex012/answers/ex012b b/tests/data/ex012/answers/ex012b
new file mode 100755
index 0000000..628f27c
--- /dev/null
+++ b/tests/data/ex012/answers/ex012b
@@ -0,0 +1,12 @@
+#!/bin/csh
+
+sammy <<EOF
+ex012b.inp
+ex012a.par
+ex012a.dat
+
+EOF
+mv -f SAMMY.LPT results/ex012bb.lpt
+mv -f SAMMY.ODF results/ex012bb.odf
+rm -f SAM*.*
+
diff --git a/tests/data/ex012/answers/ex012b.bat b/tests/data/ex012/answers/ex012b.bat
new file mode 100755
index 0000000..51854c6
--- /dev/null
+++ b/tests/data/ex012/answers/ex012b.bat
@@ -0,0 +1,13 @@
+
+@echo off
+Echo ex012b.inp >x.x
+Echo ex012a.par >>x.x
+Echo ex012a.dat >>x.x
+Echo.>>x.x
+sammy < x.x
+Rem # pause
+move SAMMY.LPT results\ex012bb.lpt
+move SAMMY.ODF results\ex012bb.odf
+del SAM*.*
+
+del x.x
diff --git a/tests/data/ex012/answers/ex012b.inp b/tests/data/ex012/answers/ex012b.inp
new file mode 100755
index 0000000..7831478
--- /dev/null
+++ b/tests/data/ex012/answers/ex012b.inp
@@ -0,0 +1,82 @@
+example ex012b:  Si28 p-waves, abndnc=1, no broadening
+Si        27.976928 300000.   1800000.
+csisrs
+chi squared is not wanted
+do not suppress any intermediate results
+generate odf file automatically
+do not solve bayes equations
+broadening is not wanted
+####      300.  200.0000  0.182233       0.0  0.002518
+  
+   4.20000  0.347162
+TRANSMISSION
+  1 X    1    1  0.5  0.9223  0.0          Si28	s1/2
+    1    1    0    0  0.5     0.0       0.0
+    2    1    0    2  1.5     0.0       1843140.0
+  2      1    1 -0.5  0.9223  0.0          Si28	p1/2
+    1    1    0    1  0.5     0.0       0.0
+    2    1    0    1  0.5     0.0       1843140.0
+  3      1    1 -1.5  0.9223  0.0          Si28	p3/2
+    1    1    0    1  0.5     0.0       0.0
+    2    1    0    1  0.5     0.0       1843140.0
+  4 X    1    2  1.5  0.9223  0.0          Si28	d3/2
+    1    1    0    2  0.5     0.0       0.0
+    2    1    0    2  0.5     0.0       1843140.0
+    3    1    0    0  1.5     0.0       1843140.0
+  5 X    1    2  2.5  0.9223  0.0          Si28 d5/2
+    1    1    0    2  0.5     0.0       0.0
+    2    1    0    2  0.5     0.0       1843140.0
+    3    1    0    0  2.5     0.0       1843140.0
+  6 X    1    2 -2.5  0.9223  0.0          Si28 f5/2
+    1    1    0    3  0.5     0.0       0.0
+    2    1    0    3  0.5     0.0       1843140.0
+    3    1    0    1  2.5     0.0       1843140.0
+  7 X    1    2 -3.5  0.9223  0.0          Si28 f7/2
+    1    1    0    3  0.5     0.0       0.0
+    2    1    0    3  0.5     0.0       1843140.0
+    3    1    0    1  2.5     0.0       1843140.0
+  8 X    1    0  0.0  0.0467  0.5          Si29	s0s (el=0, J=0, singlet j=0)
+    1    1    0    0  0.0     0.0       0.0
+  9 X    1    0  1.0  0.0467  0.5          Si29	s1q (el=0, J=1, quartet j=1)
+    1    1    0    0  1.0     0.0       0.0
+ 10 X    1    0 -1.0  0.0467  0.5          Si29	p1s
+    1    1    0    1  0.0     0.0
+ 11 X    1    0 -0.0  0.0467  0.5          Si29 p0q
+    1    1    0    1  1.0     0.0
+ 12 X    1    0 -1.0  0.0467  0.5          Si29	p1q
+    1    1    0    1  1.0     0.0
+ 13 X    1    0 -2.0  0.0467  0.5          Si29 p2q
+    1    1    0    1  1.0     0.0
+ 14 X    1    0  2.0  0.0467  0.5          Si29	d2s
+    1    1    0    2  0.0     0.0
+ 15 X    1    0  1.0  0.0467  0.5          Si29 d1q
+    1    1    0    2  1.0     0.0
+ 16 X    1    0  2.0  0.0467  0.5          Si29 d2q
+    1    1    0    2  1.0     0.0
+ 17 X    1    0  3.0  0.0467  0.5          Si29	d3q
+    1    1    0    2  1.0     0.0
+ 18 X    1    0  0.5  0.0310  0.0          Si30 s1/2
+    1    1    0    0  0.5     0.0
+ 19 X    1    0 -0.5  0.0310  0.0          Si30	p1/2
+    1    1    0    1  0.5     0.0
+ 20 X    1    0 -1.5  0.0310  0.0          Si30	p3/2
+    1    1    0    1  0.5     0.0
+ 21 X    1    0  1.5  0.0310  0.0          Si30 d3/2
+    1    1    0    2  0.5     0.0
+ 22 X    1    0  2.5  0.0310  0.0          Si30 d5/2
+    1    1    0    2  0.5     0.0
+ 23 X    1    0  0.5  2.0     0.0          O	s1/2
+    1    1    0    0  0.5     0.0
+ 24 x    1    0 -0.5  2.0     0.0          O	p1/2
+    1    1    0    1  0.5     0.0
+ 25 x    1    0 -1.5  2.0     0.0          O	p3/2
+    1    1    0    1  0.5     0.0
+ 26 x    1    0  1.5  2.0     0.0          O	d3/2
+    1    1    0    2  0.5     0.0
+ 27 x    1    0  2.5  2.0     0.0          O	d5/2
+    1    1    0    2  0.5     0.0
+ 28 x    1    0 -2.5  2.0     0.0          O	f5/2
+    1    1    0    3  0.5     0.0
+ 29 x    1    0 -3.5  2.0     0.0          O	f7/2
+    1    1    0    3  0.5     0.0
+
diff --git a/tests/data/ex012/answers/ex012bb.lpt b/tests/data/ex012/answers/ex012bb.lpt
new file mode 100755
index 0000000..caf9516
--- /dev/null
+++ b/tests/data/ex012/answers/ex012bb.lpt
@@ -0,0 +1,293 @@
+
+ **********************************************************
+ ***                                                    ***
+ ***                 SAMMY Version 8.0.0                ***
+ ***                                                    ***
+ **********************************************************
+
+ Name of input file: 
+ >>> ex012b.inp                                                             <<<
+ Name of parameter file: 
+ >>> ex012a.par                                                             <<<
+ Values used for constants -- Kvendf=1
+   mass of neutron =   1.008664915600000 in amu
+   sqrt(m/2)       =  72.298252179105063
+   sqrt(2m)/hbar   =   0.000219680775849
+   Boltzman        =   0.000086173430000
+   finestructure   =   0.034447599938334 in 1/(amu*F)
+ GENERATE ODF FILE AUtomatically                                               
+ BROADENING IS NOT WAnted                                                      
+ Name of experimental data file is: 
+ >>> ex012a.dat                                                             <<<
+ Emin and Emax =    300000.      1.800000E+06
+
+
+ *****************************************************************************
+ *****                                                                   *****
+ ***** example ex012b:  Si28 p-waves, abndnc=1, no broadening            *****
+ *****                                                                   *****
+ *****************************************************************************
+
+
+ Input quantities from line number 2 are:
+   Alfnm1, Alfnm2 = ##Si        ##       Atomic Weight =  27.976928
+   Nepnts Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      0      0      0      0      0      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2      0      0
+Adjusted  Itmax  Icorr  Nxtra  Iptdop Iptwid Ixxchn
+        0      0     50      0      9      5      0
+   Ndigit Idropp Matnum Kkkkza
+        2      2      0      0
+
+
+ TARGET ELEMENT IS Si        
+ ATOMIC WEIGHT IS  27.976928
+
+
+ *********** Alphanumeric Control Information *********
+
+ CSISRS                                  
+ CHI SQUARED IS NOT WANTED               
+ DO NOT SUPPRESS ANY intermediate results
+ DO NOT SOLVE BAYES EQUATIONS            
+ BROADENING IS NOT WAnted                
+ ODF FILE IS WANTED--SAMMY.ODF ,ZERO-TH O
+ PRINT VARIED INPUT PARAMETERS           
+                                         
+ **** end of Alphanumeric Control Information *********
+
+
+ ### Estimated array size for SAMMY-INP is       5799 ###
+
+ Target Thickness=  0.3472    
+
+ **** Data type is <<< TRANSMISSION         >>> ****
+
+ Spin of incident particle is  0.5
+       #of  #of
+ Group Ent  Exit Jspin Relative  Ispin  g    Chn Lpnt Ishift eL Chspn
+    #  Chn  Chn         Abndnc                 #
+    1    1    1    0.5  0.9223    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     0   0.5    
+                                               2   1   0     2   1.5    
+    2    1    1   -0.5  0.9223    0.0 1.0000
+                                               1   1   0     1   0.5    
+                                               2   1   0     1   0.5    
+    3    1    1   -1.5  0.9223    0.0 2.0000
+                                               1   1   0     1   0.5    
+                                               2   1   0     1   0.5    
+    4    1    2    1.5  0.9223    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+                                               2   1   0     2   0.5    
+                                               3   1   0     0   1.5    
+    5    1    2    2.5  0.9223    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+                                               2   1   0     2   0.5    
+                                               3   1   0     0   2.5    
+    6    1    2   -2.5  0.9223    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     3   0.5    
+                                               2   1   0     3   0.5    
+                                               3   1   0     1   2.5    
+    7    1    2   -3.5  0.9223    0.0 4.0000 ** Excluded Spin Group **
+                                               1   1   0     3   0.5    
+                                               2   1   0     3   0.5    
+                                               3   1   0     1   2.5    
+    8    1    0    0.0  0.0467    0.5 0.2500 ** Excluded Spin Group **
+                                               1   1   0     0   0.0    
+    9    1    0    1.0  0.0467    0.5 0.7500 ** Excluded Spin Group **
+                                               1   1   0     0   1.0    
+   10    1    0   -1.0  0.0467    0.5 0.7500 ** Excluded Spin Group **
+                                               1   1   0     1   0.0    
+   11    1    0    0.0  0.0467    0.5 0.2500 ** Excluded Spin Group **
+                                               1   1   0     1   1.0    
+   12    1    0   -1.0  0.0467    0.5 0.7500 ** Excluded Spin Group **
+                                               1   1   0     1   1.0    
+   13    1    0   -2.0  0.0467    0.5 1.2500 ** Excluded Spin Group **
+                                               1   1   0     1   1.0    
+   14    1    0    2.0  0.0467    0.5 1.2500 ** Excluded Spin Group **
+                                               1   1   0     2   0.0    
+   15    1    0    1.0  0.0467    0.5 0.7500 ** Excluded Spin Group **
+                                               1   1   0     2   1.0    
+   16    1    0    2.0  0.0467    0.5 1.2500 ** Excluded Spin Group **
+                                               1   1   0     2   1.0    
+   17    1    0    3.0  0.0467    0.5 1.7500 ** Excluded Spin Group **
+                                               1   1   0     2   1.0    
+   18    1    0    0.5  0.0310    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     0   0.5    
+   19    1    0   -0.5  0.0310    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     1   0.5    
+   20    1    0   -1.5  0.0310    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     1   0.5    
+   21    1    0    1.5  0.0310    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+   22    1    0    2.5  0.0310    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+   23    1    0    0.5  2.0000    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     0   0.5    
+   24    1    0   -0.5  2.0000    0.0 1.0000 ** Excluded Spin Group **
+                                               1   1   0     1   0.5    
+   25    1    0   -1.5  2.0000    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     1   0.5    
+   26    1    0    1.5  2.0000    0.0 2.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+   27    1    0    2.5  2.0000    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     2   0.5    
+   28    1    0   -2.5  2.0000    0.0 3.0000 ** Excluded Spin Group **
+                                               1   1   0     3   0.5    
+   29    1    0   -3.5  2.0000    0.0 4.0000 ** Excluded Spin Group **
+                                               1   1   0     3   0.5    
+
+__________________________
+ group  channel   Enbnd         Echan         z1    z2         m1        m2
+     1     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     2     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     3     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     4     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     5     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     6     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     7     1     0.00000       0.00000         0     0   27.976929  1.008665
+           2     0.00000      1.843140E+06     0     0   27.976929  1.008665
+           3     0.00000      1.843140E+06     0     0   27.976929  1.008665
+     8     1     0.00000       0.00000         0     0   28.976496  1.008665
+     9     1     0.00000       0.00000         0     0   28.976496  1.008665
+    10     1     0.00000       0.00000         0     0   28.976496  1.008665
+    11     1     0.00000       0.00000         0     0   28.976496  1.008665
+    12     1     0.00000       0.00000         0     0   28.976496  1.008665
+    13     1     0.00000       0.00000         0     0   28.976496  1.008665
+    14     1     0.00000       0.00000         0     0   28.976496  1.008665
+    15     1     0.00000       0.00000         0     0   28.976496  1.008665
+    16     1     0.00000       0.00000         0     0   28.976496  1.008665
+    17     1     0.00000       0.00000         0     0   28.976496  1.008665
+    18     1     0.00000       0.00000         0     0   29.973772  1.008665
+    19     1     0.00000       0.00000         0     0   29.973772  1.008665
+    20     1     0.00000       0.00000         0     0   29.973772  1.008665
+    21     1     0.00000       0.00000         0     0   29.973772  1.008665
+    22     1     0.00000       0.00000         0     0   29.973772  1.008665
+    23     1     0.00000       0.00000         0     0   16.000000  1.008665
+    24     1     0.00000       0.00000         0     0   16.000000  1.008665
+    25     1     0.00000       0.00000         0     0   16.000000  1.008665
+    26     1     0.00000       0.00000         0     0   16.000000  1.008665
+    27     1     0.00000       0.00000         0     0   16.000000  1.008665
+    28     1     0.00000       0.00000         0     0   16.000000  1.008665
+    29     1     0.00000       0.00000         0     0   16.000000  1.008665
+__________________________
+ 
+ ### Array size used for SAMMY-INP is       6829 ###
+ ### Estimated array size for SAMMY-PAR is       8010 ###
+
+ Total  number of resonances is  162
+ Number of particle channels is    3
+ Number of spin groups is         29
+ Number of flagged parametrs is    5
+ Number of varied parameters is    5
+ Number of nuclides is             4
+ ### Array size used for SAMMY-PAR is       8115 ###
+ ### Estimated array size for SAMMY-NEW is       6486 ###
+
+
+
+
+ ***** INITIAL VALUES FOR PARAMETERS                     
+
+ SPIN GROUP NUMBER  1  WITH SPIN=  0.5, ABUNDANCE=  1.0000(  3), AND G= 1.0000
+                effective radius =  4.1364E+00       4.1364E+00     
+                   "true" radius =  4.1364E+00       4.1364E+00     
+      ENERGY          GAMMA-          GAMMA-           GAMMA-
+                      GAMMA          Inc Chan         PPair #2
+                                    L=0  SPIN= 0.5   L=2  SPIN= 1.5
+       (eV)        (MILLI-EV)       (MILLI-EV)       (MILLI-EV)
+ -3.66160E+06      1.5877E+05       3.6985E+09(  1)  0.0000E+00     
+ -8.73730E+05      1.0253E+03       1.0151E+02(  2)  0.0000E+00     
+
+
+ EFFECTIVE RADIUS    "TRUE" RADIUS  SPIN GROUP NUMBER FOR THESE RADII
+                                       # channel numbers
+    4.1364200        4.1364200       1 #  1  2  3
+                                     4 #  1  2  3
+                                     5 #  1  2  3
+    4.9437200        4.9437200       2 #  1  2  3
+                                     3 #  1  2  3
+                                     6 #  1  2  3
+                                     7 #  1  2  3
+    4.4000000        4.4000000       8 #  1  2  3
+                                     9 #  1  2  3
+                                    10 #  1  2  3
+                                    11 #  1  2  3
+                                    12 #  1  2  3
+                                    13 #  1  2  3
+                                    14 #  1  2  3
+                                    15 #  1  2  3
+                                    16 #  1  2  3
+                                    17 #  1  2  3
+    4.2000000        4.2000000      18 #  1  2  3
+                                    19 #  1  2  3
+                                    20 #  1  2  3
+                                    21 #  1  2  3
+                                    22 #  1  2  3
+    4.2000000        4.2000000      23 #  1  2  3
+                                    24 #  1  2  3
+                                    25 #  1  2  3
+                                    26 #  1  2  3
+                                    27 #  1  2  3
+                                    28 #  1  2  3
+                                    29 #  1  2  3
+
+
+  Isotopic abundance and mass for each nuclide --
+ Nuclide    Abundance            Mass        Spin groups
+    1        1.000    (  3)      27.9769      1  2  3  4  5  6  7
+    2       4.6700E-02(  4)      28.9765      8  9 10 11 12 13 14 15 16 17
+    3       3.1000E-02(  5)      29.9738     18 19 20 21 22
+    4        1.000               16.0000     23 24 25 26 27 28 29
+
+
+  TEMPERATURE      THICKNESS
+  0.0000E+00       3.4716E-01     
+
+    DELTA-L         DELTA-T-GAUS     DELTA-T-EXP
+  0.0000E+00       0.0000E+00       0.0000E+00     
+ ### Array size used for SAMMY-NEW is       6979 ###
+ Emin   300000.     is less than the minimum energy in the data set
+ Emin has been changed to   300001.    
+ First 5 energies=
+     300003.5       300026.0       300048.6       300071.2       300093.7    
+ Last  5 energies=
+     1799827.       1799495.       1799163.       1798831.       1798500.    
+ Emax  1.800000E+06 is greater than the maximum energy in the data set
+ Emax has been changed to  1.799868E+06
+ First 5 energies=
+     300003.5       300026.0       300048.6       300071.2       300093.7    
+ Last  5 energies=
+     1799827.       1799495.       1799163.       1798831.       1798500.    
+     Emind               Emins               Eminr               Emin
+   300000.6537499999   300000.6537499999   300000.6537499999   300000.6537499999
+     Emax                Emaxr               Emaxs               Emaxd
+  1799868.1037500002  1799868.1037500002  1799868.1037500002  1799868.1037500002
+ ### Estimated array size for SAMMY-DAT is       3225 +    32500000 ###
+
+ Energy range of data is from 3.00001E+05 to 1.79987E+06 eV.
+ Number of experimental data points =   15736
+
+ ### Array size used for SAMMY-DAT is     100871 ###
+ ### Estimated array size for SAMMY-THE is      85302 ###
+ ### Array size used for SAMMY-THE is      85301 ###
+ ### Estimated array size for SAMMY-XCT is      90806 ###
+ ### Array size used for SAMMY-XCT is      85319 ###
+ ### Estimated array size for SAMMY-INT is     116793 ###
+ ### Array size used for SAMMY-INT is     116794 ###
+ ### Estimated array size for SAMMY-IPQ is     116779 ###
+ ### Array size used for SAMMY-IPQ is     116791 ###
+ ### Estimated array size for SAMMY-FIN is      69569 ###
+ ### Array size used for SAMMY-FIN is       6451 ###
+                              Total time =     1.22 seconds
+ Normal finish to SAMMY
diff --git a/tests/data/ex012/answers/xa.dot b/tests/data/ex012/answers/xa.dot
new file mode 100755
index 0000000..f18f539
--- /dev/null
+++ b/tests/data/ex012/answers/xa.dot
@@ -0,0 +1,6 @@
+/reset
+/xsn1
+/xmin800
+/xmax1100
+/ymin0
+/ymax 12
diff --git a/tests/data/ex012/answers/xb.dot b/tests/data/ex012/answers/xb.dot
new file mode 100755
index 0000000..7d1e736
--- /dev/null
+++ b/tests/data/ex012/answers/xb.dot
@@ -0,0 +1,6 @@
+/reset
+/xsn1
+/xmin300
+/xmax1800
+/ymin0
+/ymax 12
diff --git a/tests/data/ex012/answers/ya.dot b/tests/data/ex012/answers/ya.dot
new file mode 100755
index 0000000..609d9c3
--- /dev/null
+++ b/tests/data/ex012/answers/ya.dot
@@ -0,0 +1,2 @@
+/ave6
+dvt /sym3 f1s2,/nosy/dash0.1 f1s4,/nodash f1s5
diff --git a/tests/data/ex012/answers/yb.dot b/tests/data/ex012/answers/yb.dot
new file mode 100755
index 0000000..3d716f6
--- /dev/null
+++ b/tests/data/ex012/answers/yb.dot
@@ -0,0 +1,2 @@
+/ave6
+dvt /dash0.1 f1s4,/nodash f1s2
diff --git a/tests/data/ex012/ex012a b/tests/data/ex012/ex012a
new file mode 100755
index 0000000..c6a189a
--- /dev/null
+++ b/tests/data/ex012/ex012a
@@ -0,0 +1,12 @@
+#!/bin/csh
+
+sammy <<EOF
+ex012a.inp
+ex012a.par
+ex012a.dat
+
+EOF
+mv -f SAMMY.LPT results/ex012aa.lpt
+mv -f SAMMY.ODF results/ex012aa.odf
+mv -f SAMMY.PAR results/ex012aa.par
+rm -f SAM*.*
diff --git a/tests/data/ex012/ex012a.bat b/tests/data/ex012/ex012a.bat
new file mode 100755
index 0000000..1cb7590
--- /dev/null
+++ b/tests/data/ex012/ex012a.bat
@@ -0,0 +1,13 @@
+
+@echo off
+Echo ex012a.inp >x.x
+Echo ex012a.par >>x.x
+Echo ex012a.dat >>x.x
+Echo.>>x.x
+sammy < x.x
+Rem # pause
+move SAMMY.LPT results\ex012aa.lpt
+move SAMMY.ODF results\ex012aa.odf
+move SAMMY.PAR results\ex012aa.par
+del SAM*.*
+del x.x
diff --git a/tests/data/ex012/ex012a.dat b/tests/data/ex012/ex012a.dat
new file mode 100755
index 0000000..facd214
--- /dev/null
+++ b/tests/data/ex012/ex012a.dat
@@ -0,0 +1,15736 @@
+  300003.47   .2292500   .0133873
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diff --git a/tests/data/ex012/ex012a.inp b/tests/data/ex012/ex012a.inp
new file mode 100755
index 0000000..9173991
--- /dev/null
+++ b/tests/data/ex012/ex012a.inp
@@ -0,0 +1,80 @@
+example ex012:  multiple nuclides (Natural Si -- 200 m flight path)
+Si        27.976928 300000.   1800000.
+csisrs
+chi squared is wanted
+do not suppress any intermediate results
+generate odf file automatically
+  
+      300.  200.0000  0.182233       0.0  0.002518
+   4.20000  0.347162
+TRANSMISSION
+  1      1    1  0.5  0.9223  0.0          Si28	s1/2
+    1    1    0    0  0.5     0.0       0.0
+    2    1    0    2  1.5     0.0       1843140.0
+  2      1    1 -0.5  0.9223  0.0          Si28	p1/2
+    1    1    0    1  0.5     0.0       0.0
+    2    1    0    1  0.5     0.0       1843140.0
+  3      1    1 -1.5  0.9223  0.0          Si28	p3/2
+    1    1    0    1  0.5     0.0       0.0
+    2    1    0    1  0.5     0.0       1843140.0
+  4      1    2  1.5  0.9223  0.0          Si28	d3/2
+    1    1    0    2  0.5     0.0       0.0
+    2    1    0    2  0.5     0.0       1843140.0
+    3    1    0    0  1.5     0.0       1843140.0
+  5      1    2  2.5  0.9223  0.0          Si28 d5/2
+    1    1    0    2  0.5     0.0       0.0
+    2    1    0    2  0.5     0.0       1843140.0
+    3    1    0    0  2.5     0.0       1843140.0
+  6      1    2 -2.5  0.9223  0.0          Si28 f5/2
+    1    1    0    3  0.5     0.0       0.0
+    2    1    0    3  0.5     0.0       1843140.0
+    3    1    0    1  2.5     0.0       1843140.0
+  7      1    2 -3.5  0.9223  0.0          Si28 f7/2
+    1    1    0    3  0.5     0.0       0.0
+    2    1    0    3  0.5     0.0       1843140.0
+    3    1    0    1  2.5     0.0       1843140.0
+  8      1    0  0.0  0.0467  0.5          Si29	s0s (el=0, J=0, singlet j=0)
+    1    1    0    0  0.0     0.0       0.0
+  9      1    0  1.0  0.0467  0.5          Si29	s1q (el=0, J=1, quartet j=1)
+    1    1    0    0  1.0     0.0       0.0
+ 10      1    0 -1.0  0.0467  0.5          Si29	p1s
+    1    1    0    1  0.0     0.0
+ 11      1    0 -0.0  0.0467  0.5          Si29 p0q
+    1    1    0    1  1.0     0.0
+ 12      1    0 -1.0  0.0467  0.5          Si29	p1q
+    1    1    0    1  1.0     0.0
+ 13      1    0 -2.0  0.0467  0.5          Si29 p2q
+    1    1    0    1  1.0     0.0
+ 14      1    0  2.0  0.0467  0.5          Si29	d2s
+    1    1    0    2  0.0     0.0
+ 15      1    0  1.0  0.0467  0.5          Si29 d1q
+    1    1    0    2  1.0     0.0
+ 16      1    0  2.0  0.0467  0.5          Si29 d2q
+    1    1    0    2  1.0     0.0
+ 17      1    0  3.0  0.0467  0.5          Si29	d3q
+    1    1    0    2  1.0     0.0
+ 18      1    0  0.5  0.0310  0.0          Si30 s1/2
+    1    1    0    0  0.5     0.0
+ 19      1    0 -0.5  0.0310  0.0          Si30	p1/2
+    1    1    0    1  0.5     0.0
+ 20      1    0 -1.5  0.0310  0.0          Si30	p3/2
+    1    1    0    1  0.5     0.0
+ 21      1    0  1.5  0.0310  0.0          Si30 d3/2
+    1    1    0    2  0.5     0.0
+ 22      1    0  2.5  0.0310  0.0          Si30 d5/2
+    1    1    0    2  0.5     0.0
+ 23 x    1    0  0.5  2.0     0.0          O	s1/2
+    1    1    0    0  0.5     0.0
+ 24 x    1    0 -0.5  2.0     0.0          O	p1/2
+    1    1    0    1  0.5     0.0
+ 25 x    1    0 -1.5  2.0     0.0          O	p3/2
+    1    1    0    1  0.5     0.0
+ 26 x    1    0  1.5  2.0     0.0          O	d3/2
+    1    1    0    2  0.5     0.0
+ 27 x    1    0  2.5  2.0     0.0          O	d5/2
+    1    1    0    2  0.5     0.0
+ 28 x    1    0 -2.5  2.0     0.0          O	f5/2
+    1    1    0    3  0.5     0.0
+ 29 x    1    0 -3.5  2.0     0.0          O	f7/2
+    1    1    0    3  0.5     0.0
+
diff --git a/tests/data/ex012/ex012a.par b/tests/data/ex012/ex012a.par
new file mode 100755
index 0000000..0c3fd15
--- /dev/null
+++ b/tests/data/ex012/ex012a.par
@@ -0,0 +1,176 @@
+-3.6616E+06 1.5877E+05 3.6985E+09                       0 0 1     1
+-8.7373E+05 1.0253E+03 1.0151E+02                       0 0 1     1
+-3.6529E+05 1.0000E+03 3.0406E+01                       0 0 0     1
+-6.3159E+04 1.0000E+03 4.6894E+01                       0 0 0     1
+-4.8801E+04 1.0000E+03 9.2496E+00                       0 0 0     1
+31739.99805 1.0000E+03 1.5667E+01                       0 0 0     5
+55676.96094 1.5803E+03 6.5331E+05                       0 0 0     1
+67732.84375 2.5000E+03 2.6589E+03                       0 0 0     3
+70800.00781 1.0000E+03 2.9617E+01                       0 0 0     5
+86797.35938 2.5000E+03 7.2618E+02                       0 0 0     3
+181617.5000 5.6000E+03 3.4894E+07                       0 0 0     1
+298700.0000 1.0000E+03 9.8860E+03                       0 0 0     5
+301310.8125 3.6000E+03 2.3548E+03                       0 0 0     1
+354588.6875 1.0000E+03 1.4460E+04                       0 0 0     5
+399675.9375 6.6000E+02 8.1361E+02                       0 0 0     3
+532659.8750 2.5000E+03 5.3281E+05                       0 0 0     3
+565576.8750 2.9000E+03 1.0953E+07                       0 0 0     3
+587165.7500 8.8000E+03 1.9916E+05                       0 0 0     2
+590290.1250 3.6000E+03 5.2366E+05                       0 0 0     1
+602467.3125 3.4000E+03 5.0491E+04                       0 0 0     4
+714043.4375 2.5000E+03 1.2165E+03                       0 0 0     3
+771711.9375 1.0000E+03 5.3139E+04                       0 0 0     5
+812491.6250 9.7000E+03 3.0100E+07                       0 0 0     3
+845233.8750 2.0000E+03 3.9791E+05                       0 0 0     4
+872305.8125 1.3000E+03 3.2140E+04                       0 0 0     5
+910043.5625 1.1300E+03 3.6733E+06                       0 0 0     3
+962233.0000 1.6000E+04 7.6614E+07                       0 0 0     2
+1017777.188 1.0000E+03 7.6192E+04                       0 0 0     5
+1042856.812 1.0000E+03 9.3370E+05                       0 0 0     5
+1085169.250 3.6000E+03 7.2794E+04                       0 0 0     1
+1148103.625 1.0000E+03 3.1469E+03                       0 0 0     5
+1162663.625 3.8000E+03 3.0136E+06                       0 0 0     1
+1199501.375 7.6000E+03 1.4914E+07                       0 0 0     2
+1201238.750 3.6000E+03 4.6012E+06                       0 0 0     1
+1256447.250 3.6000E+03 1.7383E+07                       0 0 0     1
+1264441.750 1.0000E+03 8.4364E+05                       0 0 0     5
+1379920.250 2.4000E+03 6.5299E+04                       0 0 0     4
+1408269.750 2.7000E+03 5.1983E+06                       0 0 0     3
+1479927.250 1.6500E+03 3.5025E+06                       0 0 0     4
+1482395.375 8.8000E+03 8.8694E+02                       0 0 0     2
+1512343.875 1.0000E+03 9.1493E+04                       0 0 0     5
+1528742.375 2.4000E+03 2.9225E+06                       0 0 0     4
+1580564.875 2.4000E+03 1.4955E+06                       0 0 0     4
+1592844.250 8.8000E+03 1.1199E+07                       0 0 0     2
+1597168.625 2.4000E+03 4.0172E+06                       0 0 0     4
+1639561.500 1.0000E+03 1.5293E+07                       0 0 0     5
+1651146.000 1.0000E+03 2.1555E+07                       0 0 0     5
+1658595.000 8.8000E+03 1.5553E+06                       0 0 0     2
+1664961.125 2.4000E+03 2.1590E+05                       0 0 0     4
+1784952.750 2.4000E+03 1.9294E+05                       0 0 0     4
+1805652.625 2.5000E+03 1.2991E+06                       0 0 0     3
+1850667.250 1.0000E+03 3.5515E+07                       0 0 0     5
+1852435.250 2.5000E+03 7.0707E+07                       0 0 0     3
+1923655.250 1.0000E+03 1.0171E+06                       0 0 0     5
+2248678.250 3.6000E+03 4.4476E+08                       0 0 0     1
+1968869.750 1.0000E+03 5.7341E+06                       0 0 0     5
+3007280.500 3.6000E+03 2.8996E+05                       0 0 0     1
+3067775.250 3.6000E+03 4.2229E+05                       0 0 0     1
+-2.1796E+06 4.0908E+05 1.7222E+09                       0 0 0     8
+-8.6024E+05 9.9997E+02 3.4170E+07                       0 0 0     8
+-4.3128E+05 1.0059E+03 2.2851E+08                       0 0 0     8
+15282.00000 1.6460E+03 1.0000E+04                       0 0 0    10
+38819.00000 2.4000E+03 7.5926E+04                       0 0 0    13
+159682.9688 1.9000E+03 1.2003E+06                       0 0 0    10
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+385764.1875 4.6700E+03 2.4133E+07                       0 0 0     9
+552241.8125 5.7000E+03 1.2989E+06                       0 0 0    13
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+-1.1851E+06 1.1848E+05 2.6057E+08                       0 0 0    18
+-1.6155E+05 6.5000E+02 4.2640E+05                       0 0 0    18
+2235.000000 3.7000E+02 9.3266E+02                       0 0 0    20
+4977.000000 6.0000E+02 1.1220E+03                       0 0 0    19
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+235225.3906 8.0000E+02 1.1541E+05                       0 0 0    21
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+645239.8125 8.0000E+02 4.0143E+05                       0 0 0    21
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+745454.0000 3.7000E+02 1.4735E+07                       0 0 0    20
+796946.1250 6.0000E+02 4.6932E+05                       0 0 0    19
+807379.8125 6.0000E+02 2.7433E+05                       0 0 0    19
+810796.9375 6.0000E+02 4.1931E+05                       0 0 0    19
+844674.6250 3.7000E+02 3.3153E+06                       0 0 0    20
+878822.8125 8.0000E+02 1.1063E+05                       0 0 0    21
+979821.3125 6.0000E+02 5.9182E+05                       0 0 0    19
+1182175.750 6.0000E+03 5.9124E+06                       0 0 0    18
+1217821.125 8.0000E+02 1.8889E+06                       0 0 0    21
+1274871.500 6.0000E+02 2.2255E+06                       0 0 0    19
+1302032.875 8.0000E+02 3.0479E+05                       0 0 0    21
+1310774.875 3.7000E+02 3.3971E+05                       0 0 0    20
+1337984.375 6.0000E+02 4.6240E+06                       0 0 0    19
+1356024.750 3.7000E+02 1.2271E+07                       0 0 0    20
+1383597.625 6.0000E+02 2.5336E+07                       0 0 0    19
+1400981.375 8.0000E+02 1.8976E+06                       0 0 0    21
+1412107.750 3.7000E+02 6.6862E+05                       0 0 0    20
+1586007.000 6.0000E+03 2.3644E+07                       0 0 0    18
+2583249.500 6.0000E+03 9.2076E+07                       0 0 0    18
+-1.1592E+07 1.2000E+03 7.5174E+09                       0 0 0    23
+-9.1926E+06 1.2000E+03 1.4356E+10                       0 0 0    23
+433901.3750 1.2000E+03 4.3760E+07                       0 0 0    25
+999736.9375 1.2000E+03 9.6583E+07                       0 0 0    26
+1307683.875 1.2000E+03 4.2027E+07                       0 0 0    25
+1630813.125 1.2000E+03 7.1367E+04                       0 0 0    25
+1650581.000 1.2000E+03 3.9013E+06                       0 0 0    29
+1833142.125 1.2000E+03 7.8352E+06                       0 0 0    26
+1898468.875 1.2000E+03 2.8678E+07                       0 0 0    24
+2372699.000 1.2000E+03 1.5533E+08                       0 0 0    23
+2888249.750 1.2000E+03 1.8859E+06                       0 0 0    24
+3004838.500 1.2000E+03 2.3338E+03                       0 0 0    24
+3181814.500 1.2000E+03 5.1769E+08                       0 0 0    24
+3203037.750 1.2000E+03 1.7923E+08                       0 0 0    23
+3204505.000 1.2000E+03 3.1091E+05                       0 0 0    28
+3239197.250 1.2000E+03 2.5141E+08                       0 0 0    26
+3431828.250 1.2000E+03 6.1570E+05                       0 0 0    27
+3438834.250 1.2000E+03 1.8039E+06                       0 0 0    28
+3636796.000 1.2000E+03 7.0184E+08                       0 0 0    25
+3763624.250 1.2000E+03 1.6031E+07                       0 0 0    29
+3853751.500 1.2000E+03 5.6245E+08                       0 0 0    23
+4175216.750 1.2000E+03 7.0220E+07                       0 0 0    26
+4288830.500 1.2000E+03 5.6268E+07                       0 0 0    25
+4303685.000 1.2000E+03 1.6078E+07                       0 0 0    24
+4461693.000 1.2000E+03 7.7996E+07                       0 0 0    23
+4525253.000 1.2000E+03 4.1733E+06                       0 0 0    27
+4591673.500 1.2000E+03 9.1070E+04                       0 0 0    29
+4592562.000 1.2000E+03 1.7527E+05                       0 0 0    28
+4816678.000 1.2000E+03 4.7145E+07                       0 0 0    25
+5055537.000 1.2000E+03 5.2134E+07                       0 0 0    26
+5118596.000 1.2000E+03 1.7864E+07                       0 0 0    29
+5365329.500 1.2000E+03 9.8062E+05                       0 0 0    27
+5617318.000 1.2000E+03 3.3197E+07                       0 0 0    28
+5666636.000 1.2000E+03 1.2687E+07                       0 0 0    27
+5912201.500 1.2000E+03 1.2942E+07                       0 0 0    29
+5986110.000 1.2000E+03 7.1061E+06                       0 0 0    26
+6076846.000 1.2000E+03 5.1667E+06                       0 0 0    28
+6116665.000 1.2000E+03 5.5499E+06                       0 0 0    24
+6389893.000 1.2000E+03 4.9356E+06                       0 0 0    29
+6813680.500 1.2000E+03 3.2629E+06                       0 0 0    28
+6833136.500 1.2000E+03 5.1405E+06                       0 0 0    27
+7373000.000 1.2000E+03 2.4000E+06                       0 0 0    24
+8820920.000 1.2000E+03 1.1234E+10                       0 0 0    25
+10934820.00 1.2000E+03 2.7611E+05                       0 0 0    23
+15050371.00 1.2000E+03 6.3499E+05                       0 0 0    23
+25004488.00 1.2000E+03 6.9186E+03                       0 0 0    23
+ 
+ 
+RADIUS PARAMETERS FOLLOW
+   4.13642   4.13642 0-1 1 4 5
+   4.94372   4.94372 0-1 2 3 6 7
+   4.40000   4.40000 0-1 8 91011121314151617
+   4.20000   4.20000 0-11819202122
+   4.20000   4.20000 0-123242526272829
+ 
+ISOTOPIC MASSES AND ABUNDANCES FOLLOW
+ 27.976929 1.0000000  .9200    1 1 2 3 4 5 6 7
+ 28.976496  .0467000  .0500    1 8 91011121314151617
+ 29.973772  .0310000  .0200    11819202122
+ 16.000000 1.0000000  .0100000 023242526272829
diff --git a/tests/unit/conftest.py b/tests/unit/conftest.py
new file mode 100644
index 0000000..bd27f30
--- /dev/null
+++ b/tests/unit/conftest.py
@@ -0,0 +1,108 @@
+#!/usr/bin/env python
+"""Shared pytest fixtures for SAMMY tests."""
+
+import os
+from pathlib import Path
+from typing import Dict, Generator
+from unittest.mock import Mock
+
+import pytest
+
+
+@pytest.fixture
+def test_data_dir() -> Path:
+    """Get path to test data directory."""
+    return Path(__file__).parents[2] / "tests/data/ex012"
+
+
+@pytest.fixture
+def temp_working_dir(tmp_path) -> Path:
+    """Create temporary working directory."""
+    work_dir = tmp_path / "sammy_test"
+    work_dir.mkdir(exist_ok=True)
+    return work_dir
+
+
+@pytest.fixture
+def temp_output_dir(temp_working_dir) -> Path:
+    """Create temporary output directory."""
+    output_dir = temp_working_dir / "output"
+    output_dir.mkdir(exist_ok=True)
+    return output_dir
+
+
+@pytest.fixture
+def mock_sammy_files(test_data_dir) -> Dict[str, Path]:
+    """Provide paths to test input files."""
+    return {
+        "input_file": test_data_dir / "ex012a.inp",
+        "parameter_file": test_data_dir / "ex012a.par",
+        "data_file": test_data_dir / "ex012a.dat",
+    }
+
+
+@pytest.fixture
+def mock_sammy_output() -> str:
+    """Provide mock SAMMY output with success message."""
+    return """
+    SAMMY execution log
+    ... processing ...
+    Normal finish to SAMMY
+    """
+
+
+@pytest.fixture
+def mock_sammy_error_output() -> str:
+    """Provide mock SAMMY output with error message."""
+    return """
+    SAMMY execution log
+    Error: Invalid input parameters
+    SAMMY execution failed
+    """
+
+
+@pytest.fixture
+def mock_sammy_results(temp_working_dir) -> None:
+    """Create mock SAMMY output files."""
+    # Create some mock output files
+    files = ["SAMMY.LPT", "SAMMY.PAR", "SAMMY.LST", "SAMMY.ODF"]
+    for file in files:
+        (temp_working_dir / file).write_text("Mock SAMMY output")
+
+
+@pytest.fixture
+def clean_env() -> Generator:
+    """Remove SAMMY-related environment variables temporarily."""
+    # Store original environment
+    orig_env = {}
+    env_vars = ["SAMMY_PATH", "NOVA_URL", "NOVA_API_KEY"]
+
+    for var in env_vars:
+        orig_env[var] = os.environ.get(var)
+        if var in os.environ:
+            del os.environ[var]
+
+    yield
+
+    # Restore original environment
+    for var, value in orig_env.items():
+        if value is not None:
+            os.environ[var] = value
+
+
+@pytest.fixture
+def mock_docker():
+    """Mock Docker client."""
+    mock = Mock()
+    mock.containers.run.return_value = "Mock container"
+    mock.images.get.return_value = True
+    return mock
+
+
+@pytest.fixture
+def mock_nova():
+    """Mock NOVA client."""
+    mock = Mock()
+    mock.connect.return_value.__enter__.return_value = mock
+    mock.create_data_store.return_value = "mock_datastore"
+    return mock
diff --git a/tests/unit/pleiades/core/test_constants.py b/tests/unit/pleiades/core/test_constants.py
new file mode 100644
index 0000000..9726537
--- /dev/null
+++ b/tests/unit/pleiades/core/test_constants.py
@@ -0,0 +1,55 @@
+#!/usr/bin/env python
+"""
+Test suite for physical constants and unit conversions.
+
+Reasoning:
+- Verify accuracy of physical constants
+- Test unit conversion functions
+- Ensure immutability of constants
+- Validate computed properties
+"""
+
+import pytest
+from pydantic import ValidationError
+
+from pleiades.core.constants import CONSTANTS
+from pleiades.core.models import Mass, UnitType
+
+
+def test_constants_immutability():
+    """Test that constants cannot be modified."""
+    with pytest.raises(ValidationError):
+        CONSTANTS.speed_of_light = 0
+
+    with pytest.raises(ValidationError):
+        CONSTANTS.neutron_mass = Mass(value=0, unit_type=UnitType.MASS)
+
+
+def test_mass_constants():
+    """Test mass constants values and units."""
+    assert CONSTANTS.neutron_mass_amu == pytest.approx(1.008664915)
+    assert CONSTANTS.proton_mass_amu == pytest.approx(1.007276466)
+    assert CONSTANTS.electron_mass_amu == pytest.approx(0.000548579909)
+
+
+def test_computed_masses():
+    """Test computed mass conversions."""
+    expected_neutron_kg = 1.674927471e-27  # kg
+    assert CONSTANTS.neutron_mass_kg == pytest.approx(expected_neutron_kg, rel=1e-8)
+
+
+def test_constant_precisions():
+    """Test that constants have correct significant figures."""
+    assert len(str(CONSTANTS.avogadro_number)) >= 8  # At least 8 significant figures
+    assert len(str(CONSTANTS.planck_constant)) >= 8
+
+
+def test_fundamental_constants():
+    """Test fundamental constants against known values."""
+    assert CONSTANTS.speed_of_light == 299792458.0
+    assert CONSTANTS.elementary_charge == pytest.approx(1.602176634e-19)
+    assert CONSTANTS.boltzmann_constant == pytest.approx(8.617333262e-5)
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/core/test_data_manager.py b/tests/unit/pleiades/core/test_data_manager.py
new file mode 100644
index 0000000..7cd6bbc
--- /dev/null
+++ b/tests/unit/pleiades/core/test_data_manager.py
@@ -0,0 +1,72 @@
+#!/usr/bin/env python
+"""Unit tests for the NuclearDataManager class."""
+
+# tests/unit/pleiades/core/test_data_manager.py
+import pytest
+
+from pleiades.core.data_manager import NuclearDataManager
+from pleiades.core.models import CrossSectionPoint, DataCategory, IsotopeIdentifier, IsotopeInfo, IsotopeMassData
+
+
+@pytest.fixture
+def data_manager():
+    """Create a NuclearDataManager instance using actual package data."""
+    return NuclearDataManager()
+
+
+def test_list_files(data_manager):
+    """Test listing available files."""
+    files = data_manager.list_files()
+    assert DataCategory.ISOTOPES in files
+    # Test for known files that should exist
+    isotope_files = files[DataCategory.ISOTOPES]
+    assert "isotopes.info" in isotope_files
+    assert "mass.mas20" in isotope_files
+    assert "neutrons.list" in isotope_files
+
+
+def test_get_isotope_info_u238(data_manager):
+    """Test U-238 isotope information retrieval."""
+    info = data_manager.get_isotope_info(IsotopeIdentifier.from_string("U-238"))
+    assert isinstance(info, IsotopeInfo)
+    # Test against known U-238 values
+    assert info.spin == 0.0
+    assert abs(info.abundance - 0.992745 * 100) < 1e-6
+
+
+def test_get_mass_data_u238(data_manager):
+    """Test U-238 mass data retrieval."""
+    mass_data = data_manager.get_mass_data(IsotopeIdentifier(element="U", mass_number=238))
+    assert isinstance(mass_data, IsotopeMassData)
+    # Test against known U-238 values from mass.mas20
+    expected_mass = 238.050786936
+    assert abs(mass_data.atomic_mass - expected_mass) < 1e-6
+
+
+def test_read_cross_section_data_u238(data_manager):
+    """Test U-238 cross-section data reading."""
+    xs_data = data_manager.read_cross_section_data("u-n.tot", "U-238")
+    assert len(xs_data) > 0
+    assert all(isinstance(point, CrossSectionPoint) for point in xs_data)
+
+
+def test_get_mat_number_u238(data_manager):
+    """Test U-238 MAT number retrieval."""
+    mat = data_manager.get_mat_number("U-238")
+    assert mat == 9237  # Verify this is the correct MAT number
+
+
+# Error cases
+def test_get_isotope_info_nonexistent(data_manager):
+    """Test handling of nonexistent isotope."""
+    assert data_manager.get_isotope_info(IsotopeIdentifier(element="X", mass_number=999)) is None
+
+
+def test_file_not_found(data_manager):
+    """Test handling of nonexistent file."""
+    with pytest.raises(FileNotFoundError):
+        data_manager.get_file_path(DataCategory.ISOTOPES, "nonexistent.info")
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/core/test_models.py b/tests/unit/pleiades/core/test_models.py
new file mode 100644
index 0000000..ea810f2
--- /dev/null
+++ b/tests/unit/pleiades/core/test_models.py
@@ -0,0 +1,124 @@
+#!/usr/bin/env python
+"""Unit tests for core data models."""
+
+import pytest
+from pydantic import ValidationError
+
+from pleiades.core.models import (
+    CrossSectionPoint,
+    Isotope,
+    IsotopeIdentifier,
+    IsotopeInfo,
+    IsotopeMassData,
+    Mass,
+)
+
+
+@pytest.fixture
+def u238_identifier():
+    """Create a U-238 isotope identifier."""
+    return IsotopeIdentifier(element="U", mass_number=238)
+
+
+@pytest.fixture
+def sample_isotope(u238_identifier):
+    """Create a sample U-238 isotope instance."""
+    return Isotope(
+        identifier=u238_identifier,
+        atomic_mass=Mass(value=238.0289),
+        thickness=1.0,
+        thickness_unit="cm",
+        abundance=0.992745,
+        density=19.1,  # g/cm³
+        density_unit="g/cm3",
+    )
+
+
+def test_isotope_identifier_creation():
+    """Test IsotopeIdentifier creation and validation."""
+    identifier = IsotopeIdentifier(element="U", mass_number=238)
+    assert identifier.element == "U"
+    assert identifier.mass_number == 238
+
+    # Test string conversion
+    assert str(identifier) == "U-238"
+
+    # Test invalid inputs
+    with pytest.raises(ValidationError):
+        IsotopeIdentifier(element="1U", mass_number=238)
+    with pytest.raises(ValidationError):
+        IsotopeIdentifier(element="U", mass_number=-1)
+
+
+def test_isotope_identifier_from_string():
+    """Test IsotopeIdentifier creation from string."""
+    identifier = IsotopeIdentifier.from_string("U-238")
+    assert identifier.element == "U"
+    assert identifier.mass_number == 238
+
+    # Test invalid formats
+    with pytest.raises(ValueError):
+        IsotopeIdentifier.from_string("U238")
+    with pytest.raises(ValueError):
+        IsotopeIdentifier.from_string("238U")
+
+
+def test_isotope_creation(sample_isotope):
+    """Test Isotope model creation and validation."""
+    assert sample_isotope.density == 19.1
+    assert sample_isotope.thickness_unit == "cm"
+
+    # Test validation
+    with pytest.raises(ValidationError):
+        Isotope(
+            identifier=sample_isotope.identifier,
+            atomic_mass=Mass(value=-1.0),  # Invalid mass
+            thickness=1.0,
+            thickness_unit="cm",
+            abundance=0.5,
+            density=1.0,
+        )
+
+
+def test_isotope_areal_density(sample_isotope):
+    """Test areal density calculation."""
+    # Test with different thickness units
+    cm_isotope = sample_isotope
+    mm_isotope = Isotope(**{**sample_isotope.model_dump(), "thickness": 10.0, "thickness_unit": "mm"})
+
+    # Should give same result for equivalent thicknesses
+    assert pytest.approx(cm_isotope.areal_density) == mm_isotope.areal_density
+
+
+def test_cross_section_point():
+    """Test CrossSectionPoint model."""
+    point = CrossSectionPoint(energy=1.0, cross_section=10.0)
+    assert point.energy == 1.0
+    assert point.cross_section == 10.0
+
+    with pytest.raises(ValidationError):
+        CrossSectionPoint(energy=-1.0, cross_section=10.0)
+    with pytest.raises(ValidationError):
+        CrossSectionPoint(energy=1.0, cross_section=-10.0)
+
+
+def test_isotope_mass_data():
+    """Test IsotopeMassData model."""
+    data = IsotopeMassData(atomic_mass=238.0289, mass_uncertainty=0.0001, binding_energy=7.6, beta_decay_energy=None)
+    assert data.atomic_mass == pytest.approx(238.0289)
+    assert data.binding_energy == pytest.approx(7.6)
+    assert data.beta_decay_energy is None
+
+
+def test_isotope_info():
+    """Test IsotopeInfo model."""
+    info = IsotopeInfo(spin=0.0, abundance=99.2745)
+    assert info.spin == 0.0
+    assert info.abundance == pytest.approx(99.2745)
+
+    with pytest.raises(ValidationError):
+        IsotopeInfo(spin=-1.0, abundance=50.0)
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/core/test_transmissions.py b/tests/unit/pleiades/core/test_transmissions.py
new file mode 100644
index 0000000..e2962f6
--- /dev/null
+++ b/tests/unit/pleiades/core/test_transmissions.py
@@ -0,0 +1,123 @@
+# Module: pleiades/tests/core/test_transmission.py
+"""Unit tests for transmission calculations."""
+
+import numpy as np
+import pytest
+
+from pleiades.core.models import CrossSectionPoint, Isotope, IsotopeIdentifier, Mass
+from pleiades.core.transmission import TransmissionError, calculate_transmission
+
+
+@pytest.fixture
+def test_energies():
+    """Create test energy grid."""
+    return np.logspace(0, 6, 10)  # 1 eV to 1 MeV
+
+
+@pytest.fixture
+def sample_xs_data():
+    """Create sample cross-section data."""
+    return [
+        CrossSectionPoint(energy=1.0, cross_section=10.0),
+        CrossSectionPoint(energy=10.0, cross_section=5.0),
+        CrossSectionPoint(energy=100.0, cross_section=2.0),
+        CrossSectionPoint(energy=1000.0, cross_section=1.0),
+    ]
+
+
+@pytest.fixture
+def test_isotope(sample_xs_data):
+    """Create test isotope with cross-section data."""
+    identifier = IsotopeIdentifier(element="U", mass_number=238)
+    isotope = Isotope(
+        identifier=identifier,
+        atomic_mass=Mass(value=238.0289),
+        thickness=2.0,
+        thickness_unit="cm",
+        abundance=0.992745,
+        density=19.1,
+        density_unit="g/cm3",
+    )
+    isotope.xs_data = sample_xs_data
+    return isotope
+
+
+def test_transmission_calculation(test_isotope, test_energies):
+    """Test basic transmission calculation."""
+    results = calculate_transmission(test_isotope, test_energies)
+
+    assert len(results) == len(test_energies)
+    for energy, trans in results:
+        assert 0.0 <= trans <= 1.0  # Physical bounds
+
+
+def test_transmission_interpolation(test_isotope):
+    """Test interpolation of cross sections."""
+    # Test point between known values
+    energies = [1.0]  # Between 1.0 and 10.0 in sample data
+    results = calculate_transmission(test_isotope, energies)
+
+    assert len(results) == 1
+    energy, trans = results[0]
+    assert 0.0 <= trans <= 1.0
+
+
+def test_full_transmission():
+    """Test case with zero cross section."""
+    identifier = IsotopeIdentifier(element="U", mass_number=238)
+    isotope = Isotope(
+        identifier=identifier,
+        atomic_mass=Mass(value=238.0289),
+        thickness=1.0,
+        thickness_unit="cm",
+        abundance=0.992745,
+        density=19.1,
+        density_unit="g/cm3",
+    )
+    isotope.xs_data = [CrossSectionPoint(energy=1.0, cross_section=0.0)]
+
+    results = calculate_transmission(isotope, [1.0])
+    assert results[0][1] == pytest.approx(1.0)  # Should be full transmission
+
+
+def test_no_xs_data(test_isotope):
+    """Test error when no cross-section data available."""
+    test_isotope.xs_data = []
+    with pytest.raises(TransmissionError):
+        calculate_transmission(test_isotope, [1.0])
+
+
+def test_transmission_thickness_scaling(sample_xs_data):
+    """Test transmission scales correctly with thickness."""
+    identifier = IsotopeIdentifier(element="U", mass_number=238)
+    isotope1 = Isotope(
+        identifier=identifier,
+        atomic_mass=Mass(value=238.0289),
+        thickness=1.0,
+        thickness_unit="cm",
+        abundance=0.992745,
+        density=19.1,
+        density_unit="g/cm3",
+    )
+    isotope2 = Isotope(
+        identifier=identifier,
+        atomic_mass=Mass(value=238.0289),
+        thickness=2.0,  # Double thickness
+        thickness_unit="cm",
+        abundance=0.992745,
+        density=19.1,
+        density_unit="g/cm3",
+    )
+
+    isotope1.xs_data = sample_xs_data
+    isotope2.xs_data = sample_xs_data
+
+    trans1 = calculate_transmission(isotope1, [1.0])[0][1]
+    trans2 = calculate_transmission(isotope2, [1.0])[0][1]
+
+    # Trans2 should be approximately trans1 squared
+    assert trans2 == pytest.approx(trans1 * trans1, rel=1e-5)
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/backends/test_docker.py b/tests/unit/pleiades/sammy/backends/test_docker.py
new file mode 100644
index 0000000..76f0591
--- /dev/null
+++ b/tests/unit/pleiades/sammy/backends/test_docker.py
@@ -0,0 +1,173 @@
+#!/usr/bin/env python
+"""Unit tests for Docker SAMMY backend."""
+
+import subprocess
+from pathlib import Path
+
+import pytest
+
+from pleiades.sammy.backends.docker import DockerSammyRunner
+from pleiades.sammy.config import DockerSammyConfig
+from pleiades.sammy.interface import (
+    EnvironmentPreparationError,
+    SammyFiles,
+)
+
+
+@pytest.fixture
+def mock_docker_command(monkeypatch):
+    """Mock shutil.which to simulate docker being available."""
+
+    def mock_which(cmd):
+        if cmd == "docker":
+            return "/usr/bin/docker"
+        return None
+
+    monkeypatch.setattr("shutil.which", mock_which)
+    return mock_which
+
+
+@pytest.fixture
+def mock_subprocess_docker(monkeypatch, mock_sammy_output):
+    """Mock subprocess.run for docker commands."""
+
+    def mock_run(*args, **kwargs):
+        _ = kwargs  # Unused
+        cmd_str = " ".join(str(x) for x in args[0])  # Convert command array to string
+        if "docker image inspect" in cmd_str:  # Image check
+            return subprocess.CompletedProcess(args=args, returncode=0, stdout='[{"Id": "mock_image_id"}]', stderr="")
+        if "docker run" in cmd_str:  # Docker run
+            return subprocess.CompletedProcess(args=args, returncode=0, stdout=mock_sammy_output, stderr="")
+        return subprocess.CompletedProcess(args=args, returncode=1, stdout="", stderr="Command not found")
+
+    monkeypatch.setattr(subprocess, "run", mock_run)
+    return mock_run
+
+
+@pytest.fixture
+def mock_subprocess_docker_fail(monkeypatch, mock_sammy_error_output):
+    """Mock subprocess.run for docker failure."""
+
+    def mock_run(*args, **kwargs):
+        _ = kwargs  # Unused
+        cmd_str = " ".join(str(x) for x in args[0])  # Convert command array to string
+        if "docker image inspect" in cmd_str:  # Image check should succeed
+            return subprocess.CompletedProcess(args=args, returncode=0, stdout='[{"Id": "mock_image_id"}]', stderr="")
+        if "docker run" in cmd_str:  # Docker run should fail
+            return subprocess.CompletedProcess(args=args, returncode=1, stdout="", stderr=mock_sammy_error_output)
+        return subprocess.CompletedProcess(args=args, returncode=1, stdout="", stderr="Command not found")
+
+    monkeypatch.setattr(subprocess, "run", mock_run)
+    return mock_run
+
+
+@pytest.fixture
+def docker_config(temp_working_dir):
+    """Create Docker SAMMY configuration."""
+    config = DockerSammyConfig(
+        working_dir=temp_working_dir,
+        output_dir=temp_working_dir / "output",
+        image_name="kedokudo/sammy-docker",
+        container_working_dir=Path("/sammy/work"),
+        container_data_dir=Path("/sammy/data"),
+    )
+    config.validate()
+    return config
+
+
+class TestDockerSammyRunner:
+    """Tests for DockerSammyRunner."""
+
+    def test_initialization(self, docker_config, mock_docker_command):
+        """Should initialize with valid config."""
+        _ = mock_docker_command  # implicitly used via fixture
+        runner = DockerSammyRunner(docker_config)
+        assert runner.config == docker_config
+
+    def test_prepare_environment(self, docker_config, mock_sammy_files, mock_subprocess_docker, mock_docker_command):
+        """Should prepare environment successfully."""
+        _ = mock_docker_command  # implicitly used via fixture
+        _ = mock_subprocess_docker  # implicitly used via fixture
+        runner = DockerSammyRunner(docker_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        assert docker_config.output_dir.exists()
+
+    def test_prepare_environment_missing_docker(self, docker_config, mock_sammy_files, monkeypatch):
+        """Should raise error when docker is not available."""
+
+        def mock_which(cmd):
+            _ = cmd  # Unused
+            return None
+
+        monkeypatch.setattr("shutil.which", mock_which)
+
+        runner = DockerSammyRunner(docker_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        with pytest.raises(EnvironmentPreparationError) as exc:
+            runner.prepare_environment(files)
+        assert "Docker not found" in str(exc.value)
+
+    def test_execute_sammy_success(self, docker_config, mock_sammy_files, mock_subprocess_docker, mock_docker_command):
+        """Should execute SAMMY successfully in container."""
+        _ = mock_docker_command  # implicitly used via fixture
+        _ = mock_subprocess_docker  # implicitly used via fixture
+        runner = DockerSammyRunner(docker_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        assert result.success
+        assert "Normal finish to SAMMY" in result.console_output
+        assert result.error_message is None
+
+    def test_execute_sammy_failure(
+        self, docker_config, mock_sammy_files, mock_subprocess_docker_fail, mock_docker_command
+    ):
+        """Should handle SAMMY execution failure in container."""
+        _ = mock_docker_command  # implicitly used via fixture
+        _ = mock_subprocess_docker_fail  # implicitly used via fixture
+        runner = DockerSammyRunner(docker_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        assert not result.success
+        assert "Docker execution failed" in result.error_message
+
+    def test_collect_outputs(
+        self, docker_config, mock_sammy_files, mock_subprocess_docker, mock_docker_command, mock_sammy_results
+    ):
+        """Should collect output files from container."""
+        _ = mock_docker_command  # implicitly used via fixture
+        _ = mock_subprocess_docker  # implicitly used via fixture
+        _ = mock_sammy_results  # implicitly used via fixture
+        runner = DockerSammyRunner(docker_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+        runner.collect_outputs(result)
+
+        assert (docker_config.output_dir / "SAMMY.LPT").exists()
+        assert (docker_config.output_dir / "SAMMY.PAR").exists()
+
+    def test_cleanup(self, docker_config, mock_sammy_files, mock_subprocess_docker, mock_docker_command):
+        """Should perform cleanup successfully."""
+        _ = mock_docker_command  # implicitly used via fixture
+        _ = mock_subprocess_docker  # implicitly used via fixture
+        runner = DockerSammyRunner(docker_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+        runner.collect_outputs(result)
+        runner.cleanup()
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/backends/test_local.py b/tests/unit/pleiades/sammy/backends/test_local.py
new file mode 100644
index 0000000..e1845e4
--- /dev/null
+++ b/tests/unit/pleiades/sammy/backends/test_local.py
@@ -0,0 +1,179 @@
+#!/usr/bin/env python
+"""Unit tests for local SAMMY backend."""
+
+import subprocess
+from pathlib import Path
+
+import pytest
+
+from pleiades.sammy.backends.local import LocalSammyRunner
+from pleiades.sammy.config import LocalSammyConfig
+from pleiades.sammy.interface import EnvironmentPreparationError, SammyExecutionError, SammyFiles
+
+
+@pytest.fixture
+def mock_sammy_executable(monkeypatch):
+    """Mock shutil.which to simulate SAMMY being available."""
+
+    def mock_which(cmd):
+        if cmd == "sammy":
+            return "sammy"
+        return None
+
+    monkeypatch.setattr("shutil.which", mock_which)
+    return mock_which
+
+
+@pytest.fixture
+def local_config(temp_working_dir, mock_sammy_executable):
+    """Create local SAMMY configuration."""
+    _ = mock_sammy_executable  # make pre-commit happy
+    local_sammy_config = LocalSammyConfig(
+        working_dir=temp_working_dir,
+        output_dir=temp_working_dir / "output",
+        sammy_executable=Path("sammy"),
+        shell_path=Path("/bin/bash"),
+    )
+    # call validate to ensure directories are created
+    local_sammy_config.validate()
+    return local_sammy_config
+
+
+@pytest.fixture
+def mock_subprocess_run(monkeypatch, mock_sammy_output):
+    """Mock subprocess.run to avoid actual SAMMY execution."""
+
+    def mock_run(*args, **kwargs):
+        _ = kwargs
+        result = subprocess.CompletedProcess(args=args, returncode=0, stdout=mock_sammy_output, stderr="")
+        return result
+
+    monkeypatch.setattr(subprocess, "run", mock_run)
+    return mock_run
+
+
+@pytest.fixture
+def mock_subprocess_fail(monkeypatch, mock_sammy_error_output):
+    """Mock subprocess.run to simulate SAMMY failure."""
+
+    def mock_run(*args, **kwargs):
+        _ = kwargs
+        result = subprocess.CompletedProcess(
+            args=args,
+            returncode=1,
+            stdout="",
+            stderr=mock_sammy_error_output,
+        )
+        return result
+
+    monkeypatch.setattr(subprocess, "run", mock_run)
+    return mock_run
+
+
+class TestLocalSammyRunner:
+    """Tests for LocalSammyRunner."""
+
+    def test_initialization(self, local_config):
+        """Should initialize with valid config."""
+        runner = LocalSammyRunner(local_config)
+        assert runner.config == local_config
+        assert runner.validate_config()
+
+    def test_prepare_environment(self, local_config, mock_sammy_files):
+        """Should prepare environment successfully."""
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        assert local_config.output_dir.exists()
+
+    def test_prepare_environment_invalid_files(self, local_config, tmp_path):
+        """Should raise error with invalid files."""
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(
+            input_file=tmp_path / "nonexistent.inp",
+            parameter_file=tmp_path / "nonexistent.par",
+            data_file=tmp_path / "nonexistent.dat",
+        )
+
+        with pytest.raises(EnvironmentPreparationError):
+            runner.prepare_environment(files)
+
+    def test_execute_sammy_success(self, local_config, mock_sammy_files, mock_subprocess_run):
+        """Should execute SAMMY successfully."""
+        _ = mock_subprocess_run  # make pre-commit happy
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # mock_subprocess_run is used implicitly via the fixture's monkeypatch
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        assert result.success
+        assert "Normal finish to SAMMY" in result.console_output
+        assert result.error_message is None
+
+    def test_execute_sammy_failure(self, local_config, mock_sammy_files, mock_subprocess_fail):
+        """Should handle SAMMY execution failure."""
+        _ = mock_subprocess_fail  # make pre-commit happy
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # mock_subprocess_fail is used implicitly via the fixture's monkeypatch
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        assert not result.success
+        assert "SAMMY execution failed" in result.error_message
+
+    def test_execute_sammy_crash(self, local_config, mock_sammy_files, monkeypatch):
+        """Should handle subprocess crash."""
+
+        def mock_run(*args, **kwargs):
+            _ = args
+            _ = kwargs
+            raise subprocess.SubprocessError("Mock crash")
+
+        monkeypatch.setattr(subprocess, "run", mock_run)
+
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        with pytest.raises(SammyExecutionError) as exc:
+            runner.execute_sammy(files)
+        assert "Mock crash" in str(exc.value)
+
+    def test_collect_outputs(self, local_config, mock_sammy_files, mock_subprocess_run, mock_sammy_results):
+        """Should collect output files."""
+        _ = mock_subprocess_run  # make pre-commit happy
+        _ = mock_sammy_results  # make pre-commit happy
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # Execute SAMMY to create outputs
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        # Collect outputs
+        runner.collect_outputs(result)
+
+        # Check output files were moved
+        assert (local_config.output_dir / "SAMMY.LPT").exists()
+        assert (local_config.output_dir / "SAMMY.PAR").exists()
+
+    def test_cleanup(self, local_config, mock_sammy_files, mock_subprocess_run, mock_sammy_results):
+        """Should perform cleanup successfully."""
+        _ = mock_subprocess_run  # make pre-commit happy
+        _ = mock_sammy_results  # make pre-commit happy
+        runner = LocalSammyRunner(local_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+        runner.collect_outputs(result)
+        runner.cleanup()
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/backends/test_nova.py b/tests/unit/pleiades/sammy/backends/test_nova.py
new file mode 100644
index 0000000..f8835be
--- /dev/null
+++ b/tests/unit/pleiades/sammy/backends/test_nova.py
@@ -0,0 +1,165 @@
+#!/usr/bin/env python
+"""Unit tests for NOVA SAMMY backend implementation."""
+
+import os
+from datetime import datetime
+from unittest import mock
+
+import pytest
+
+from pleiades.sammy.backends.nova_ornl import NovaSammyRunner
+from pleiades.sammy.config import NovaSammyConfig
+from pleiades.sammy.interface import SammyFiles
+
+# Mock environment variables
+os.environ["NOVA_URL"] = "https://mock_nova_url"
+os.environ["NOVA_API_KEY"] = "mock_api_key"
+
+
+@pytest.fixture
+def nova_config(temp_working_dir):
+    """Create NOVA SAMMY configuration."""
+    config = NovaSammyConfig(
+        url=os.environ["NOVA_URL"],
+        api_key=os.environ["NOVA_API_KEY"],
+        working_dir=temp_working_dir,
+        output_dir=temp_working_dir / "output",
+    )
+    config.validate()
+    return config
+
+
+@pytest.fixture
+def mock_nova_connection():
+    """Mock the NovaConnection object."""
+    with mock.patch("pleiades.sammy.backends.nova_ornl.NovaConnection") as mock_connection:
+        yield mock_connection.return_value
+
+
+@pytest.fixture
+def mock_tool():
+    """Mock the Tool object."""
+    with mock.patch("pleiades.sammy.backends.nova_ornl.Tool") as mock_tool:
+        yield mock_tool.return_value
+
+
+@pytest.fixture
+def mock_nova(mock_nova_connection, mock_tool):
+    """Mock the Nova object."""
+    with mock.patch("pleiades.sammy.backends.nova_ornl.Nova") as mock_nova:
+        instance = mock_nova.return_value
+        instance.connect.return_value.__enter__.return_value = mock_nova_connection
+        instance.connect.return_value.__enter__.return_value.tool = mock_tool
+        yield instance
+
+
+@pytest.fixture
+def mock_zipfile(monkeypatch):
+    """Mock the zipfile module."""
+    mock_zip_ref = mock.MagicMock()
+    mock_zip_ref.filelist = ["SAMMY.LPT", "SAMMY.PAR"]
+    mock_zipfile_class = mock.MagicMock(return_value=mock_zip_ref)
+    monkeypatch.setattr("pleiades.sammy.backends.nova_ornl.zipfile.ZipFile", mock_zipfile_class)
+    return mock_zipfile_class
+
+
+class TestNovaSammyRunner:
+    """Tests for NovaSammyRunner."""
+
+    def test_initialization(self, nova_config, mock_nova):
+        """Should initialize with valid config."""
+        _ = mock_nova  # make pre-commit happy
+        runner = NovaSammyRunner(nova_config)
+        assert runner.config == nova_config
+
+    def test_prepare_environment(self, nova_config, mock_sammy_files, mock_nova):
+        """Should prepare environment successfully."""
+        _ = mock_nova  # make pre-commit happy
+        runner = NovaSammyRunner(nova_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        assert nova_config.output_dir.exists()
+
+    def test_execute_sammy_success(self, nova_config, mock_sammy_files, mock_nova, mock_zipfile):
+        """Should execute SAMMY successfully."""
+        _ = mock_zipfile  # make pre-commit happy
+        runner = NovaSammyRunner(nova_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # Mock the tool run method
+        mock_nova.connect.return_value.__enter__.return_value.tool.run.return_value = mock.MagicMock(
+            get_dataset=lambda _: mock.MagicMock(get_content=lambda: " Normal finish to SAMMY"),
+            get_collection=lambda _: mock.MagicMock(download=lambda _: None),
+        )
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        assert result.success
+        assert "Normal finish to SAMMY" in result.console_output
+        assert result.error_message is None
+
+    def test_execute_sammy_failure(self, nova_config, mock_sammy_files, mock_nova, monkeypatch):
+        """Should handle SAMMY execution failure."""
+        _ = mock_nova  # make pre-commit happy
+        runner = NovaSammyRunner(nova_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # Mock the execute_sammy method to simulate failure
+        monkeypatch.setattr(
+            runner,
+            "execute_sammy",
+            lambda _: mock.MagicMock(
+                success=False,
+                execution_id="test",
+                start_time=datetime.now(),
+                end_time=datetime.now(),
+                console_output="SAMMY execution failed",
+                error_message="Forced failure",
+            ),
+        )
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        assert not result.success
+        assert "Forced failure" in result.error_message
+
+    def test_collect_outputs(self, nova_config, mock_sammy_files, mock_nova, mock_zipfile):
+        """Should collect output files."""
+        _ = mock_zipfile  # make pre-commit happy
+        runner = NovaSammyRunner(nova_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # Mock the tool run method
+        mock_nova.connect.return_value.__enter__.return_value.tool.run.return_value = mock.MagicMock(
+            get_dataset=lambda _: mock.MagicMock(get_content=lambda: "Normal finish to SAMMY"),
+            get_collection=lambda _: mock.MagicMock(download=lambda _: None),
+        )
+
+        runner.prepare_environment(files)
+        result = runner.execute_sammy(files)
+
+        # Create mock output files
+        output_dir = nova_config.output_dir
+        (output_dir / "SAMMY.LPT").touch()
+        (output_dir / "SAMMY.PAR").touch()
+
+        runner.collect_outputs(result)
+
+        assert (output_dir / "SAMMY.LPT").exists()
+        assert (output_dir / "SAMMY.PAR").exists()
+
+    def test_cleanup(self, nova_config, mock_sammy_files, mock_nova):
+        """Should perform cleanup successfully."""
+        _ = mock_nova  # make pre-commit happy
+        runner = NovaSammyRunner(nova_config)
+        files = SammyFiles(**mock_sammy_files)
+
+        runner.prepare_environment(files)
+        runner.cleanup()
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/parameters/test_broadening.py b/tests/unit/pleiades/sammy/parameters/test_broadening.py
new file mode 100644
index 0000000..b223720
--- /dev/null
+++ b/tests/unit/pleiades/sammy/parameters/test_broadening.py
@@ -0,0 +1,163 @@
+#!/usr/bin/env python
+"""Unit tests for card 04::broadening parameters."""
+
+import pytest
+
+from pleiades.sammy.parameters.broadening import BroadeningParameterCard, BroadeningParameters
+from pleiades.sammy.parameters.helper import VaryFlag
+
+# Test data with proper 10-char width formatting
+MAIN_ONLY_LINE = "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0"
+
+WITH_UNC_LINES = [
+    "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+    "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+]
+
+FULL_LINES = [
+    "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+    "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+    "1.000E-01 2.000E-02                                          1 1",
+    "5.000E-03 1.000E-03",
+]
+
+COMPLETE_CARD = [
+    "BROADening parameters may be varied",
+    "1.234E+00 2.980E+02 1.500E-01 2.500E-02 1.000E+00 5.000E-01  1 0 1 0 1 0",
+    "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+    "1.000E-01 2.000E-02                                          1 1",
+    "5.000E-03 1.000E-03",
+    "",
+]
+
+
+def test_main_parameters_parsing():
+    """Test parsing of main parameters only."""
+    params = BroadeningParameters.from_lines([MAIN_ONLY_LINE])
+
+    # Check values
+    assert params.crfn == pytest.approx(1.234)
+    assert params.temp == pytest.approx(298.0)
+    assert params.thick == pytest.approx(0.15)
+    assert params.deltal == pytest.approx(0.025)
+    assert params.deltag == pytest.approx(1.0)
+    assert params.deltae == pytest.approx(0.5)
+
+    # Check flags
+    assert params.flag_crfn == VaryFlag.YES
+    assert params.flag_temp == VaryFlag.NO
+    assert params.flag_thick == VaryFlag.YES
+    assert params.flag_deltal == VaryFlag.NO
+    assert params.flag_deltag == VaryFlag.YES
+    assert params.flag_deltae == VaryFlag.NO
+
+    # Check optional fields are None
+    assert params.deltc1 is None
+    assert params.deltc2 is None
+    assert params.d_crfn is None
+    assert params.d_temp is None
+
+
+def test_parameters_with_uncertainties():
+    """Test parsing of parameters with uncertainties."""
+    params = BroadeningParameters.from_lines(WITH_UNC_LINES)
+
+    # Check main values
+    assert params.crfn == pytest.approx(1.234)
+    assert params.temp == pytest.approx(298.0)
+
+    # Check uncertainties
+    assert params.d_crfn == pytest.approx(0.01)
+    assert params.d_temp == pytest.approx(1.0)
+    assert params.d_thick == pytest.approx(0.001)
+    assert params.d_deltal == pytest.approx(0.001)
+    assert params.d_deltag == pytest.approx(0.01)
+    assert params.d_deltae == pytest.approx(0.01)
+
+
+def test_full_parameters():
+    """Test parsing of full parameter set including Gaussian parameters."""
+    params = BroadeningParameters.from_lines(FULL_LINES)
+
+    # Check Gaussian parameters
+    assert params.deltc1 == pytest.approx(0.1)
+    assert params.deltc2 == pytest.approx(0.02)
+    assert params.d_deltc1 == pytest.approx(0.005)
+    assert params.d_deltc2 == pytest.approx(0.001)
+    assert params.flag_deltc1 == VaryFlag.YES
+    assert params.flag_deltc2 == VaryFlag.YES
+
+
+def test_format_compliance():
+    """Test that output lines comply with fixed-width format."""
+    params = BroadeningParameters.from_lines(FULL_LINES)
+    output_lines = params.to_lines()
+
+    print(output_lines)
+
+    # Check first line field widths
+    first_line = output_lines[0]
+    assert len(first_line[:10].rstrip()) == 9  # 9 chars + 1 space
+    assert len(first_line[10:20].rstrip()) == 9
+    assert len(first_line[20:30].rstrip()) == 9
+    assert len(first_line[30:40].rstrip()) == 9
+    assert len(first_line[40:50].rstrip()) == 9
+    assert len(first_line[50:60].rstrip()) == 9
+
+
+def test_complete_card():
+    """Test parsing and formatting of complete card including header."""
+    card = BroadeningParameterCard.from_lines(COMPLETE_CARD)
+    output_lines = card.to_lines()
+
+    # Check header
+    assert output_lines[0].startswith("BROAD")
+
+    # Check number of lines
+    assert len(output_lines) == 6  # Header + 4 data lines + blank
+
+    # Check last line is blank
+    assert output_lines[-1].strip() == ""
+
+
+def test_invalid_header():
+    """Test error handling for invalid header."""
+    bad_lines = ["WRONG header", MAIN_ONLY_LINE]
+    with pytest.raises(ValueError, match="Invalid header"):
+        BroadeningParameterCard.from_lines(bad_lines)
+
+
+def test_missing_gaussian_parameter():
+    """Test error handling for incomplete Gaussian parameters."""
+    bad_lines = [
+        MAIN_ONLY_LINE,
+        "1.000E-02 1.000E+00 1.000E-03 1.000E-03 1.000E-02 1.000E-02",
+        "1.000E-01                                                     1",  # Missing DELTC2
+    ]
+    with pytest.raises(ValueError, match="Both DELTC1 and DELTC2 must be present"):
+        BroadeningParameters.from_lines(bad_lines)
+
+
+def test_empty_input():
+    """Test error handling for empty input."""
+    with pytest.raises(ValueError, match="No valid parameter line provided"):
+        BroadeningParameters.from_lines([])
+
+
+def test_roundtrip():
+    """Test that parsing and then formatting produces identical output."""
+    card = BroadeningParameterCard.from_lines(COMPLETE_CARD)
+    output_lines = card.to_lines()
+
+    # Parse the output again
+    reparsed_card = BroadeningParameterCard.from_lines(output_lines)
+
+    # Compare all attributes
+    assert card.parameters.crfn == reparsed_card.parameters.crfn
+    assert card.parameters.temp == reparsed_card.parameters.temp
+    assert card.parameters.deltc1 == reparsed_card.parameters.deltc1
+    assert card.parameters.flag_crfn == reparsed_card.parameters.flag_crfn
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/parameters/test_external_r.py b/tests/unit/pleiades/sammy/parameters/test_external_r.py
new file mode 100644
index 0000000..37e8d86
--- /dev/null
+++ b/tests/unit/pleiades/sammy/parameters/test_external_r.py
@@ -0,0 +1,187 @@
+#!/usr/bin/env python
+"""Unit tests for SAMMY external R-function parameters."""
+
+import pytest
+
+from pleiades.sammy.parameters.external_r import ExternalREntry, ExternalRFormat, ExternalRFunction, VaryFlag
+
+# Sample test data
+FORMAT3_LINES = [
+    "EXTERnal R-function parameters follow",
+    " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01  1 0 0 1 0",
+    " 2 1 2.3450E+00 6.7890E+00 2.3400E-01 5.6700E-01 8.9000E-01  0 1 0 0 1",
+    "",
+]
+
+FORMAT3A_LINES = [
+    "R-EXTernal parameters follow",
+    " 1210010001.2340E+005.6780E+001.2300E-014.5600E-017.8900E-018.9000E-019.0000E-01",
+    " 2120100102.3450E+006.7890E+002.3400E-015.6700E-018.9000E-019.1000E-019.2000E-01",
+    "",
+]
+
+
+# Test ExternalREntry
+class TestExternalREntry:
+    def test_format3_parsing(self):
+        """Test parsing of Format 3 entries"""
+        line = " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01  1 0 0 1 0"
+        entry = ExternalREntry.from_str(line, ExternalRFormat.FORMAT_3)
+
+        assert entry.spin_group == 1
+        assert entry.channel == 2
+        assert entry.E_down == pytest.approx(1.2340)
+        assert entry.E_up == pytest.approx(5.6780)
+        assert entry.R_con == pytest.approx(0.1230)
+        assert entry.R_lin == pytest.approx(0.4560)
+        assert entry.s_alpha == pytest.approx(0.7890)
+        assert entry.vary_E_down == VaryFlag.YES
+        assert entry.vary_E_up == VaryFlag.NO
+        assert entry.vary_R_con == VaryFlag.NO
+        assert entry.vary_R_lin == VaryFlag.YES
+        assert entry.vary_s_alpha == VaryFlag.NO
+
+    def test_format3a_parsing(self):
+        """Test parsing of Format 3A entries"""
+        line = " 1210010001.2340E+005.6780E+001.2300E-014.5600E-017.8900E-018.9000E-019.0000E-01"
+        for i, char in enumerate(line):
+            print(f"{i+1:2d}: {char}")
+        entry = ExternalREntry.from_str(line, ExternalRFormat.FORMAT_3A)
+
+        assert entry.spin_group == 1
+        assert entry.channel == 2
+        assert entry.E_down == pytest.approx(1.2340)
+        assert entry.E_up == pytest.approx(5.6780)
+        assert entry.R_con == pytest.approx(0.1230)
+        assert entry.R_lin == pytest.approx(0.4560)
+        assert entry.s_con == pytest.approx(0.7890)
+        assert entry.s_lin == pytest.approx(0.8900)
+        assert entry.R_q == pytest.approx(0.9000)
+        assert entry.vary_E_down == VaryFlag.YES
+        assert entry.vary_E_up == VaryFlag.NO
+        assert entry.vary_R_con == VaryFlag.NO
+        assert entry.vary_R_lin == VaryFlag.YES
+        assert entry.vary_s_con == VaryFlag.NO
+        assert entry.vary_s_lin == VaryFlag.NO
+        assert entry.vary_R_q == VaryFlag.NO
+
+    def test_empty_line(self):
+        """Test handling of empty lines"""
+        with pytest.raises(ValueError, match="Empty line provided"):
+            ExternalREntry.from_str("", ExternalRFormat.FORMAT_3)
+
+    def test_negative_s_alpha(self):
+        """Test validation of negative s_alpha value"""
+        line = " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 -7.8900E-01  1 0 0 1 0"
+        with pytest.raises(ValueError, match=".*greater than or equal to 0.*"):
+            ExternalREntry.from_str(line, ExternalRFormat.FORMAT_3)
+
+    def test_format_specific_fields(self):
+        """Test validation of format-specific fields"""
+        # Test Format 3 with Format 3A fields
+        with pytest.raises(ValueError, match="Format 3a specific fields should not be set for Format 3"):
+            ExternalREntry(
+                format_type=ExternalRFormat.FORMAT_3,
+                spin_group=1,
+                channel=2,
+                E_down=1.234,
+                E_up=5.678,
+                R_con=0.123,
+                R_lin=0.456,
+                s_alpha=0.789,
+                s_con=0.890,  # This should cause an error
+            )
+
+        # Test Format 3A with Format 3 fields
+        with pytest.raises(ValueError, match="Format 3 specific fields should not be set for Format 3a"):
+            ExternalREntry(
+                format_type=ExternalRFormat.FORMAT_3A,
+                spin_group=1,
+                channel=2,
+                E_down=1.234,
+                E_up=5.678,
+                R_con=0.123,
+                R_lin=0.456,
+                s_con=0.789,
+                s_lin=0.890,
+                R_q=0.901,
+                s_alpha=0.789,  # This should cause an error
+            )
+
+
+# Test ExternalRFunction
+class TestExternalRFunction:
+    def test_format3_parsing(self):
+        """Test parsing of complete Format 3 card set"""
+        r_function = ExternalRFunction.from_lines(FORMAT3_LINES)
+        assert r_function.format_type == ExternalRFormat.FORMAT_3
+        assert len(r_function.entries) == 2
+
+        # Test first entry
+        entry1 = r_function.entries[0]
+        assert entry1.spin_group == 1
+        assert entry1.channel == 2
+
+        # Test second entry
+        entry2 = r_function.entries[1]
+        assert entry2.spin_group == 2
+        assert entry2.channel == 1
+
+    def test_format3a_parsing(self):
+        """Test parsing of complete Format 3A card set"""
+        r_function = ExternalRFunction.from_lines(FORMAT3A_LINES)
+        assert r_function.format_type == ExternalRFormat.FORMAT_3A
+        assert len(r_function.entries) == 2
+
+    def test_invalid_header(self):
+        """Test handling of invalid header"""
+        bad_lines = ["WRONG header line", " 1 2 1.2340E+00 5.6780E+00 1.2300E-01 4.5600E-01 7.8900E-01  1 0 0 1 0", ""]
+        with pytest.raises(ValueError, match="Invalid header line"):
+            ExternalRFunction.from_lines(bad_lines)
+
+    def test_empty_lines(self):
+        """Test handling of empty input"""
+        with pytest.raises(ValueError, match="No lines provided"):
+            ExternalRFunction.from_lines([])
+
+    def test_roundtrip_format3(self):
+        """Test that to_lines() output can be parsed back correctly for Format 3"""
+        original = ExternalRFunction.from_lines(FORMAT3_LINES)
+        roundtrip = ExternalRFunction.from_lines(original.to_lines())
+
+        assert len(original.entries) == len(roundtrip.entries)
+        for orig_entry, rt_entry in zip(original.entries, roundtrip.entries):
+            assert orig_entry.spin_group == rt_entry.spin_group
+            assert orig_entry.channel == rt_entry.channel
+            assert orig_entry.E_down == pytest.approx(rt_entry.E_down)
+            assert orig_entry.E_up == pytest.approx(rt_entry.E_up)
+            assert orig_entry.R_con == pytest.approx(rt_entry.R_con)
+            assert orig_entry.R_lin == pytest.approx(rt_entry.R_lin)
+            assert orig_entry.s_alpha == pytest.approx(rt_entry.s_alpha)
+
+    def test_roundtrip_format3a(self):
+        """Test that to_lines() output can be parsed back correctly for Format 3A"""
+        original = ExternalRFunction.from_lines(FORMAT3A_LINES)
+        roundtrip = ExternalRFunction.from_lines(original.to_lines())
+
+        assert len(original.entries) == len(roundtrip.entries)
+        for orig_entry, rt_entry in zip(original.entries, roundtrip.entries):
+            assert orig_entry.spin_group == rt_entry.spin_group
+            assert orig_entry.channel == rt_entry.channel
+            assert orig_entry.E_down == pytest.approx(rt_entry.E_down)
+            assert orig_entry.E_up == pytest.approx(rt_entry.E_up)
+            assert orig_entry.R_con == pytest.approx(rt_entry.R_con)
+            assert orig_entry.R_lin == pytest.approx(rt_entry.R_lin)
+            assert orig_entry.s_con == pytest.approx(rt_entry.s_con)
+            assert orig_entry.s_lin == pytest.approx(rt_entry.s_lin)
+            assert orig_entry.R_q == pytest.approx(rt_entry.R_q)
+
+    def test_header_detection(self):
+        """Test header line detection"""
+        assert ExternalRFunction.is_header_line("EXTERnal R-function parameters follow") == ExternalRFormat.FORMAT_3
+        assert ExternalRFunction.is_header_line("R-EXTernal parameters follow") == ExternalRFormat.FORMAT_3A
+        assert ExternalRFunction.is_header_line("Invalid header") is None
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/parameters/test_normalization.py b/tests/unit/pleiades/sammy/parameters/test_normalization.py
new file mode 100644
index 0000000..1c9a8ff
--- /dev/null
+++ b/tests/unit/pleiades/sammy/parameters/test_normalization.py
@@ -0,0 +1,146 @@
+#!/usr/bin/env python
+"""Unit tests for card 06::normalization and background parameters."""
+
+import pytest
+
+from pleiades.sammy.parameters.helper import VaryFlag
+from pleiades.sammy.parameters.normalization import NormalizationBackgroundCard, NormalizationParameters
+
+# Test data with proper 10-char width formatting
+MAIN_ONLY_LINE = "1.000E+00 2.000E-02 3.000E-03 4.000E-04 5.000E-05 6.000E-06  1 0 1 0 1 0"
+
+WITH_UNC_LINES = [
+    "1.000E+00 2.000E-02 3.000E-03 4.000E-04 5.000E-05 6.000E-06  1 0 1 0 1 0",
+    "1.000E-02 2.000E-03 3.000E-04 4.000E-05 5.000E-06 6.000E-07",
+]
+
+COMPLETE_CARD = [
+    "NORMAlization and background are next",
+    "1.000E+00 2.000E-02 3.000E-03 4.000E-04 5.000E-05 6.000E-06  1 0 1 0 1 0",
+    "1.000E-02 2.000E-03 3.000E-04 4.000E-05 5.000E-06 6.000E-07",
+    "2.000E+00 3.000E-02 4.000E-03 5.000E-04 6.000E-05 7.000E-06  0 1 0 1 0 1",
+    "",
+]
+
+
+def test_main_parameters_parsing():
+    """Test parsing of main parameters only."""
+    params = NormalizationParameters.from_lines([MAIN_ONLY_LINE])
+
+    # Check values
+    assert params.anorm == pytest.approx(1.0)
+    assert params.backa == pytest.approx(0.02)
+    assert params.backb == pytest.approx(0.003)
+    assert params.backc == pytest.approx(0.0004)
+    assert params.backd == pytest.approx(0.00005)
+    assert params.backf == pytest.approx(0.000006)
+
+    # Check flags
+    assert params.flag_anorm == VaryFlag.YES
+    assert params.flag_backa == VaryFlag.NO
+    assert params.flag_backb == VaryFlag.YES
+    assert params.flag_backc == VaryFlag.NO
+    assert params.flag_backd == VaryFlag.YES
+    assert params.flag_backf == VaryFlag.NO
+
+    # Check optional uncertainties are None
+    assert params.d_anorm is None
+    assert params.d_backa is None
+    assert params.d_backb is None
+
+
+def test_parameters_with_uncertainties():
+    """Test parsing of parameters with uncertainties."""
+    params = NormalizationParameters.from_lines(WITH_UNC_LINES)
+
+    # Check main values
+    assert params.anorm == pytest.approx(1.0)
+    assert params.backa == pytest.approx(0.02)
+
+    # Check uncertainties
+    assert params.d_anorm == pytest.approx(0.01)
+    assert params.d_backa == pytest.approx(0.002)
+    assert params.d_backb == pytest.approx(0.0003)
+    assert params.d_backc == pytest.approx(0.00004)
+    assert params.d_backd == pytest.approx(0.000005)
+    assert params.d_backf == pytest.approx(0.0000006)
+
+
+def test_format_compliance():
+    """Test that output lines comply with fixed-width format."""
+    params = NormalizationParameters.from_lines(WITH_UNC_LINES)
+    output_lines = params.to_lines()
+
+    # Check first line field widths
+    first_line = output_lines[0]
+    assert len(first_line[:10].rstrip()) == 9  # 9 chars + 1 space
+    assert len(first_line[10:20].rstrip()) == 9
+    assert len(first_line[20:30].rstrip()) == 9
+    assert len(first_line[30:40].rstrip()) == 9
+    assert len(first_line[40:50].rstrip()) == 9
+    assert len(first_line[50:60].rstrip()) == 9
+
+
+def test_complete_card():
+    """Test parsing and formatting of complete card including header."""
+    card = NormalizationBackgroundCard.from_lines(COMPLETE_CARD)
+    output_lines = card.to_lines()
+
+    # Check header
+    assert output_lines[0].startswith("NORMA")
+
+    # Check number of lines
+    assert len(output_lines) == 5  # Header + 3 data lines + blank
+
+    # Check number of angle sets
+    assert len(card.angle_sets) == 2
+
+    # Check last line is blank
+    assert output_lines[-1].strip() == ""
+
+
+def test_multiple_angle_sets():
+    """Test parsing of multiple angle sets."""
+    card = NormalizationBackgroundCard.from_lines(COMPLETE_CARD)
+
+    # Check first angle set
+    assert card.angle_sets[0].anorm == pytest.approx(1.0)
+    assert card.angle_sets[0].d_anorm == pytest.approx(0.01)
+
+    # Check second angle set
+    assert card.angle_sets[1].anorm == pytest.approx(2.0)
+    assert card.angle_sets[1].flag_backa == VaryFlag.YES
+
+
+def test_invalid_header():
+    """Test error handling for invalid header."""
+    bad_lines = ["WRONG header", MAIN_ONLY_LINE]
+    with pytest.raises(ValueError, match="Invalid header"):
+        NormalizationBackgroundCard.from_lines(bad_lines)
+
+
+def test_empty_input():
+    """Test error handling for empty input."""
+    with pytest.raises(ValueError, match="No valid parameter line provided"):
+        NormalizationParameters.from_lines([])
+
+
+def test_roundtrip():
+    """Test that parsing and then formatting produces identical output."""
+    card = NormalizationBackgroundCard.from_lines(COMPLETE_CARD)
+    output_lines = card.to_lines()
+
+    # Parse the output again
+    reparsed_card = NormalizationBackgroundCard.from_lines(output_lines)
+
+    # Compare attributes of first angle set
+    first_set = card.angle_sets[0]
+    reparsed_first_set = reparsed_card.angle_sets[0]
+    assert first_set.anorm == reparsed_first_set.anorm
+    assert first_set.backa == reparsed_first_set.backa
+    assert first_set.flag_anorm == reparsed_first_set.flag_anorm
+    assert first_set.d_anorm == reparsed_first_set.d_anorm
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/parameters/test_radius.py b/tests/unit/pleiades/sammy/parameters/test_radius.py
new file mode 100644
index 0000000..f25ab85
--- /dev/null
+++ b/tests/unit/pleiades/sammy/parameters/test_radius.py
@@ -0,0 +1,407 @@
+#!/usr/bin/env python
+"""Unit tests for card 07::radius."""
+
+import pytest
+
+from pleiades.sammy.parameters.radius import RadiusCard, RadiusFormat, VaryFlag
+
+
+def create_fixed_width_line(pareff: float, partru: float, ichan: int, ifleff: int, ifltru: int, spin_groups: list[int]) -> str:
+    """Create properly formatted fixed-width line."""
+    # Format floating point numbers with proper width
+    pareff_str = f"{pareff:10.3f}"
+    partru_str = f"{partru:10.3f}"
+
+    # Format integers
+    ichan_str = f"{ichan:1d}"
+    ifleff_str = f"{ifleff:1d}"
+    ifltru_str = f"{ifltru:2d}"
+
+    # Format spin groups (2 columns each)
+    spin_groups_str = "".join(f"{g:2d}" for g in spin_groups)
+
+    return f"{pareff_str}{partru_str}{ichan_str}{ifleff_str}{ifltru_str}{spin_groups_str}"
+
+
+def create_alternate_fixed_width_line(pareff: float, partru: float, ichan: int, ifleff: int, ifltru: int, spin_groups: list[int]) -> str:
+    """Create properly formatted fixed-width line for alternate format (>=99 spin groups).
+
+    Args:
+        pareff: Effective radius value
+        partru: True radius value
+        ichan: Channel mode (0 or 1)
+        ifleff: Flag for effective radius
+        ifltru: Flag for true radius
+        spin_groups: List of spin group numbers
+
+    Returns:
+        str: Formatted line following alternate fixed-width format
+    """
+    # Format floating point numbers (same as default format)
+    pareff_str = f"{pareff:10.3f}"  # Cols 1-10
+    partru_str = f"{partru:10.3f}"  # Cols 11-20
+
+    # Format integers with 5-column width
+    ichan_str = f"{ichan:5d}"  # Cols 21-25
+    ifleff_str = f"{ifleff:5d}"  # Cols 26-30
+    ifltru_str = f"{ifltru:5d}"  # Cols 31-35
+
+    # Format spin groups (5 columns each, starting at col 36)
+    spin_groups_str = "".join(f"{g:5d}" for g in spin_groups)
+
+    return f"{pareff_str}{partru_str}{ichan_str}{ifleff_str}{ifltru_str}{spin_groups_str}"
+
+
+def test_basic_fixed_width_format():
+    """Test basic fixed-width format parsing with single line of spin groups."""
+
+    # Create input with proper fixed-width formatting
+    input_str = "RADIUs parameters follow\n" + create_fixed_width_line(3.200, 3.200, 0, 1, -1, [1, 2, 3]) + "\n"
+    print("\nTest input:")
+    print(input_str)
+    print("\nColumn positions for content line:")
+    content = input_str.splitlines()[1]
+    print("Cols  1-10 (PAREFF):", f"'{content[0:10]}'")
+    print("Cols 11-20 (PARTRU):", f"'{content[10:20]}'")
+    print("Col     21 (ICHAN):", f"'{content[20:21]}'")
+    print("Col     22 (IFLEFF):", f"'{content[21:22]}'")
+    print("Cols 23-24 (IFLTRU):", f"'{content[22:24]}'")
+    print("Cols 25-26 (Group1):", f"'{content[24:26]}'")
+    print("Cols 27-28 (Group2):", f"'{content[26:28]}'")
+    print("Cols 29-30 (Group3):", f"'{content[28:30]}'")
+
+    # Parse the input
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    # Verify parsed values
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.200)
+    assert card.parameters.channel_mode == 0
+    assert card.parameters.vary_effective == VaryFlag.YES  # 1
+    assert card.parameters.vary_true == VaryFlag.USE_FROM_PARFILE  # -1
+    assert card.parameters.spin_groups == [1, 2, 3]
+    assert card.parameters.channels is None  # No channels specified when mode=0
+
+    # Test writing back to fixed-width format
+    output_lines = card.to_lines(radius_format=RadiusFormat.DEFAULT)
+    assert len(output_lines) == 3  # Header, content, blank line
+    assert output_lines[0].strip() == "RADIUs parameters follow"
+
+    # Verify the formatted output matches input format
+    content_line = output_lines[1]
+    print(card)
+    print(content_line)
+    assert content_line[0:10].strip() == "3.2000E+00"  # PAREFF
+    assert content_line[10:20].strip() == "3.2000E+00"  # PARTRU
+    assert content_line[20:21] == "0"  # ICHAN
+    assert content_line[21:22] == "1"  # IFLEFF
+    assert content_line[22:24] == "-1"  # IFLTRU
+    assert content_line[24:26] == " 1"  # First spin group
+    assert content_line[26:28] == " 2"  # Second spin group
+    assert content_line[28:30] == " 3"  # Third spin group
+
+
+def test_alternate_fixed_width_format():
+    """Test alternate fixed-width format parsing (for >=99 spin groups)."""
+
+    # Create test input with large spin group numbers
+    spin_groups = [101, 102, 103]  # Using 3-digit group numbers
+
+    input_str = "RADIUs parameters follow\n" + create_alternate_fixed_width_line(3.200, 3.200, 0, 1, -1, spin_groups) + "\n"
+
+    print("\nTest input:")
+    print(input_str)
+    print("\nColumn positions for content line:")
+    content = input_str.splitlines()[1]
+    print("Cols  1-10 (PAREFF):", f"'{content[0:10]}'")
+    print("Cols 11-20 (PARTRU):", f"'{content[10:20]}'")
+    print("Cols 21-25 (ICHAN):", f"'{content[20:25]}'")
+    print("Cols 26-30 (IFLEFF):", f"'{content[25:30]}'")
+    print("Cols 31-35 (IFLTRU):", f"'{content[30:35]}'")
+    print("Cols 36-40 (Group1):", f"'{content[35:40]}'")
+    print("Cols 41-45 (Group2):", f"'{content[40:45]}'")
+    print("Cols 46-50 (Group3):", f"'{content[45:50]}'")
+
+    # Parse the input
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    # Verify parsed values
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.200)
+    assert card.parameters.channel_mode == 0
+    assert card.parameters.vary_effective == VaryFlag.YES  # 1
+    assert card.parameters.vary_true == VaryFlag.USE_FROM_PARFILE  # -1
+    assert card.parameters.spin_groups == [101, 102, 103]
+    assert card.parameters.channels is None  # No channels specified when mode=0
+
+    # Test writing back to alternate format
+    output_lines = card.to_lines(radius_format=RadiusFormat.ALTERNATE)
+    assert len(output_lines) == 3  # Header, content, blank line
+    assert output_lines[0].strip() == "RADIUs parameters follow"
+
+    # Verify the formatted output matches input format
+    content_line = output_lines[1]
+    print("\nGenerated output:")
+    print(content_line)
+    assert content_line[0:10].strip() == "3.2000E+00"  # PAREFF
+    assert content_line[10:20].strip() == "3.2000E+00"  # PARTRU
+    assert content_line[20:25] == "    0"  # ICHAN (5 cols)
+    assert content_line[25:30] == "    1"  # IFLEFF (5 cols)
+    assert content_line[30:35] == "   -1"  # IFLTRU (5 cols)
+    assert content_line[35:40] == "  101"  # First spin group (5 cols)
+    assert content_line[40:45] == "  102"  # Second spin group (5 cols)
+    assert content_line[45:50] == "  103"  # Third spin group (5 cols)
+
+
+def test_basic_radius_keyword_format():
+    """Test basic keyword format parsing with single radius value."""
+
+    input_str = """RADII are in KEY-WORD format
+Radius= 3.200
+Group= 1
+"""
+    print("\nTest input:")
+    print(input_str)
+
+    # Parse the input
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    # Verify parsed values
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.200)  # Should equal effective_radius
+    assert card.parameters.spin_groups == [1]
+    assert card.parameters.channels is None
+
+    # Test writing back to keyword format
+    output_lines = card.to_lines(radius_format=RadiusFormat.KEYWORD)
+    print("\nGenerated output:")
+    print("\n".join(output_lines))
+
+    # Verify format and content
+    assert output_lines[0].strip() == "RADII are in KEY-WORD format"
+    assert any(line.startswith("Radius= 3.2") for line in output_lines)
+    assert any(line.startswith("Group= 1") for line in output_lines)
+
+
+def test_separate_radii_keyword_format():
+    """Test keyword format parsing with different effective/true radius values."""
+
+    input_str = """RADII are in KEY-WORD format
+Radius= 3.200 3.400
+Flags= 1 3
+Group= 1 2 3
+"""
+    print("\nTest input:")
+    print(input_str)
+
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.400)
+    assert card.parameters.vary_effective == VaryFlag.YES  # 1
+    assert card.parameters.vary_true == VaryFlag.PUP  # 3
+    assert card.parameters.spin_groups == [1, 2, 3]
+
+    output_lines = card.to_lines(radius_format=RadiusFormat.KEYWORD)
+    print("\nGenerated output:")
+    print("\n".join(output_lines))
+
+
+def test_uncertainties_keyword_format():
+    """Test keyword format parsing with uncertainty specifications."""
+
+    input_str = """RADII are in KEY-WORD format
+Radius= 3.200 3.200
+Flags= 1 3
+Relative= 0.05 0.1
+Absolute= 0.002 0.003
+Group= 1
+"""
+    print("\nTest input:")
+    print(input_str)
+
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    assert card.relative_uncertainty == pytest.approx(0.05)
+    assert card.absolute_uncertainty == pytest.approx(0.002)
+
+    output_lines = card.to_lines(radius_format=RadiusFormat.KEYWORD)
+    print("\nGenerated output:")
+    print("\n".join(output_lines))
+
+    assert any(line.startswith("Relative= 0.05") for line in output_lines)
+    assert any(line.startswith("Absolute= 0.002") for line in output_lines)
+
+
+def test_particle_pair_keyword_format():
+    """Test keyword format parsing with particle pair and orbital momentum."""
+
+    input_str = """RADII are in KEY-WORD format
+Radius= 3.200 3.200
+PP=n+16O L=all
+Flags= 1 3
+"""
+    print("\nTest input:")
+    print(input_str)
+
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    assert card.particle_pair == "n+16O"
+    assert card.orbital_momentum == ["all"]
+
+    output_lines = card.to_lines(radius_format=RadiusFormat.KEYWORD)
+    print("\nGenerated output:")
+    print("\n".join(output_lines))
+
+    assert any(line.startswith("PP= n+16O") for line in output_lines)
+    assert any("L= all" in line for line in output_lines)
+
+
+def test_groups_channels_keyword_format():
+    """Test keyword format parsing with group and channel specifications."""
+
+    input_str = """RADII are in KEY-WORD format
+Radius= 3.200 3.200
+Flags= 1 3
+Group= 1 Channels= 1 2 3
+"""
+    print("\nTest input:")
+    print(input_str)
+
+    card = RadiusCard.from_lines(input_str.splitlines())
+
+    print(card)
+
+    assert card.parameters.spin_groups == [1]
+    assert card.parameters.channels == [1, 2, 3]
+    assert card.parameters.channel_mode == 1  # Specific channels mode
+
+    output_lines = card.to_lines(radius_format=RadiusFormat.KEYWORD)
+    print("\nGenerated output:")
+    print("\n".join(output_lines))
+
+
+def test_invalid_keyword_format():
+    """Test error handling for invalid keyword format."""
+
+    # Missing radius value
+    invalid_input = """RADII are in KEY-WORD format
+Flags= 1 3
+Group= 1
+"""
+    with pytest.raises(ValueError, match="2 validation errors for RadiusParameters"):
+        RadiusCard.from_lines(invalid_input.splitlines())
+
+    # Missing group specification
+    invalid_input = """RADII are in KEY-WORD format
+Radius= 3.200 3.200
+Flags= 1 3
+"""
+    with pytest.raises(ValueError, match="Must specify either spin groups or"):
+        RadiusCard.from_lines(invalid_input.splitlines())
+
+
+def test_minimal_radius_creation():
+    """Test creating RadiusCard with minimal required parameters."""
+
+    print("\nTest minimal parameter creation:")
+    # Create with just effective radius and spin groups
+    card = RadiusCard.from_values(effective_radius=3.200, spin_groups=[1, 2, 3])
+
+    print(f"Card parameters: {card.parameters}")
+
+    # Verify defaults
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.200)  # Should equal effective_radius
+    assert card.parameters.spin_groups == [1, 2, 3]
+    assert card.parameters.channel_mode == 0  # Default
+    assert card.parameters.vary_effective == VaryFlag.NO  # Default
+    assert card.parameters.vary_true == VaryFlag.NO  # Default
+    assert card.parameters.channels is None  # Default
+
+
+def test_full_radius_creation():
+    """Test creating RadiusCard with full parameter set."""
+
+    print("\nTest full parameter creation:")
+    card = RadiusCard.from_values(
+        effective_radius=3.200,
+        true_radius=3.400,
+        spin_groups=[1, 2],
+        channels=[1, 2, 3],
+        vary_effective=VaryFlag.YES,
+        vary_true=VaryFlag.PUP,
+    )
+
+    print(f"Card parameters: {card.parameters}")
+
+    # Verify all parameters
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.400)
+    assert card.parameters.spin_groups == [1, 2]
+    assert card.parameters.channel_mode == 1  # Auto-set when channels provided
+    assert card.parameters.channels == [1, 2, 3]
+    assert card.parameters.vary_effective == VaryFlag.YES
+    assert card.parameters.vary_true == VaryFlag.PUP
+
+
+def test_radius_with_extras():
+    """Test creating RadiusCard with keyword format extras."""
+
+    print("\nTest creation with extras:")
+    card = RadiusCard.from_values(
+        effective_radius=3.200,
+        spin_groups=[1],
+        particle_pair="n+16O",
+        orbital_momentum=["all"],
+        relative_uncertainty=0.05,
+        absolute_uncertainty=0.002,
+    )
+
+    print(f"Card parameters: {card.parameters}")
+    print(
+        f"Card extras: particle_pair={card.particle_pair}, "
+        f"orbital_momentum={card.orbital_momentum}, "
+        f"uncertainties={card.relative_uncertainty}, {card.absolute_uncertainty}"
+    )
+
+    # Verify core parameters
+    assert card.parameters.effective_radius == pytest.approx(3.200)
+    assert card.parameters.true_radius == pytest.approx(3.200)
+    assert card.parameters.spin_groups == [1]
+
+    # Verify extras
+    assert card.particle_pair == "n+16O"
+    assert card.orbital_momentum == ["all"]
+    assert card.relative_uncertainty == pytest.approx(0.05)
+    assert card.absolute_uncertainty == pytest.approx(0.002)
+
+
+def test_invalid_radius_creation():
+    """Test error cases for direct parameter creation."""
+
+    print("\nTesting invalid parameter combinations:")
+
+    # Missing required parameters
+    with pytest.raises(TypeError) as exc_info:
+        RadiusCard.from_values()
+    print(f"Missing params error: {exc_info.value}")
+
+    # Invalid radius value
+    with pytest.raises(ValueError) as exc_info:
+        RadiusCard.from_values(effective_radius=-1.0, spin_groups=[1])
+    print(f"Invalid radius error: {exc_info.value}")
+
+    # Inconsistent vary flags with radii
+    with pytest.raises(ValueError) as exc_info:
+        RadiusCard.from_values(
+            effective_radius=3.200,
+            true_radius=3.400,
+            spin_groups=[1],
+            vary_true=VaryFlag.USE_FROM_PARFILE,  # Can't use -1 when radii differ
+        )
+    print(f"Inconsistent flags error: {exc_info.value}")
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/parameters/test_resonance.py b/tests/unit/pleiades/sammy/parameters/test_resonance.py
new file mode 100644
index 0000000..775ac08
--- /dev/null
+++ b/tests/unit/pleiades/sammy/parameters/test_resonance.py
@@ -0,0 +1,96 @@
+from unittest.mock import patch
+
+import pytest
+
+from pleiades.sammy.parameters.resonance import ResonanceEntry, UnsupportedFormatError, VaryFlag
+
+
+def test_valid_resonance_entry():
+    line = "-3.6616E+06 1.5877E+05 3.6985E+09                       0 0 1     1"
+    entry = ResonanceEntry.from_str(line)
+
+    assert entry.resonance_energy == pytest.approx(-3.6616e6)
+    assert entry.capture_width == pytest.approx(1.5877e5)
+    assert entry.channel1_width == pytest.approx(3.6985e9)
+    assert entry.channel2_width is None
+    assert entry.channel3_width is None
+    assert entry.vary_energy == VaryFlag.NO
+    assert entry.vary_capture_width == VaryFlag.NO
+    assert entry.vary_channel1 == VaryFlag.YES
+    assert entry.igroup == 1
+
+
+def test_resonance_entry_to_str():
+    entry = ResonanceEntry(
+        resonance_energy=-3.6616e6,
+        capture_width=1.5877e5,
+        channel1_width=3.6985e9,
+        vary_energy=VaryFlag.NO,
+        vary_capture_width=VaryFlag.NO,
+        vary_channel1=VaryFlag.YES,
+        igroup=1,
+    )
+    formatted_line = entry.to_str()
+    assert formatted_line.startswith("-3.6616E+06 1.5877E+05 3.6985E+09")
+    assert "0 0 1" in formatted_line
+
+
+def test_unsupported_format_error():
+    line = "-3.6616E+06 1.5877E+05 3.6985E+09                       0 0 1     1    -1.234"
+    with pytest.raises(UnsupportedFormatError, match="SORRY! While SAMMY allows multi-line resonance entries"):
+        ResonanceEntry.from_str(line)
+
+
+def test_malformed_format_error():
+    line = "-3.6616E+06 1.5877E+05 3.6985E+09 -1.234"
+    with pytest.raises(ValueError, match="Empty line provided|Field required"):
+        ResonanceEntry.from_str(line)
+
+
+def test_missing_fields():
+    line = "        1.5877E+05 3.6985E+09                       0 0 1     1"
+    with pytest.raises(ValueError, match="Field required"):
+        ResonanceEntry.from_str(line)
+
+
+def test_partial_vary_flags():
+    line = "-3.6616E+06 1.5877E+05 3.6985E+09                       1 0 0     2"
+    entry = ResonanceEntry.from_str(line)
+    assert entry.vary_energy == VaryFlag.YES
+    assert entry.vary_capture_width == VaryFlag.NO
+    assert entry.vary_channel1 == VaryFlag.NO
+    assert entry.igroup == 2
+
+
+def test_full_channel_widths():
+    line = "-3.6616E+06 1.5877E+05 3.6985E+09 1.1234E+05 5.4321E+04           0 0 1     1"
+    entry = ResonanceEntry.from_str(line)
+    assert entry.channel1_width == pytest.approx(3.6985e9)
+    assert entry.channel2_width == pytest.approx(1.1234e5)
+    assert entry.channel3_width == pytest.approx(5.4321e4)
+
+
+def test_logger_error_for_x_value():
+    line = "-3.6616E+06 1.5877E+05 3.6985E+09                       0 0 1     1    abc"
+    with patch("pleiades.sammy.parameters.resonance.logger") as mock_logger:
+        ResonanceEntry.from_str(line)
+        mock_logger.error.assert_called_once_with("Failed to parse X value: could not convert string to float: 'abc'")
+
+
+def test_to_str_with_partial_channels():
+    entry = ResonanceEntry(
+        resonance_energy=-3.6616e6,
+        capture_width=1.5877e5,
+        channel1_width=3.6985e9,
+        channel2_width=None,
+        channel3_width=None,
+        vary_energy=VaryFlag.YES,
+        igroup=3,
+    )
+    formatted_line = entry.to_str()
+    assert "3.6985E+09" in formatted_line
+    assert " " * 11 in formatted_line  # Blank for channel2 and channel3
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/parameters/test_unused_var.py b/tests/unit/pleiades/sammy/parameters/test_unused_var.py
new file mode 100644
index 0000000..de59704
--- /dev/null
+++ b/tests/unit/pleiades/sammy/parameters/test_unused_var.py
@@ -0,0 +1,137 @@
+#!/usr/bin/env python
+"""Unit tests for card 05::unused but correlated variables."""
+
+import pytest
+
+from pleiades.sammy.parameters.unused_var import UnusedCorrelatedCard, UnusedCorrelatedParameters, UnusedVariable
+
+
+def test_unused_variable_validation():
+    """Test UnusedVariable name formatting and validation."""
+    # Test exact 5-char name
+    var = UnusedVariable(name="NVAR1", value=1.234)
+    assert len(var.name) == 5
+    assert var.name == "NVAR1"
+
+    # Test name padding
+    var = UnusedVariable(name="NV1", value=1.234)
+    assert len(var.name) == 5
+    assert var.name == "NV1  "
+
+
+def test_parameters_parsing():
+    """Test parsing of parameter lines with proper fixed-width format."""
+    test_lines = [
+        (" " * 5).join([f"NVAR{i}" for i in range(1, 4)]),
+        "1.2304E+002.9800E+021.5000E-01",
+        (" " * 5).join([f"NVAR{i}" for i in range(4, 6)]),
+        "2.5000E-021.0000E+00",
+    ]
+
+    params = UnusedCorrelatedParameters.from_lines(test_lines)
+
+    # Verify number of variables parsed
+    assert len(params.variables) == 5
+
+    # Verify specific values
+    assert params.variables[0].name == "NVAR1"
+    assert params.variables[0].value == pytest.approx(1.2304)
+    assert params.variables[1].name == "NVAR2"
+    assert params.variables[1].value == pytest.approx(298.0)
+
+
+def test_parameters_formatting():
+    """Test formatting output with proper fixed-width spacing."""
+    variables = [
+        UnusedVariable(name="NVAR1", value=1.2304),
+        UnusedVariable(name="NVAR2", value=298.0),
+        UnusedVariable(name="NVAR3", value=0.15),
+    ]
+
+    params = UnusedCorrelatedParameters(variables=variables)
+    lines = params.to_lines()
+
+    # Should produce exactly 2 lines (names and values)
+    assert len(lines) == 2
+
+    # Verify name line format (5 chars + 5 spaces between)
+    expected_name_line = "NVAR1     NVAR2     NVAR3"
+    assert lines[0] == expected_name_line
+
+    # Verify value line format (exactly 10 chars each, no spaces)
+    expected_value_line = "1.2304E+002.9800E+021.5000E-01"
+    assert lines[1] == expected_value_line
+
+
+def test_full_card_parsing():
+    """Test parsing of a complete card including header."""
+    card_lines = [
+        "UNUSEd but correlated variables come next",
+        (" " * 5).join([f"NVAR{i}" for i in range(1, 4)]),
+        "1.2304E+002.9800E+021.5000E-01",
+        "",
+    ]
+
+    card = UnusedCorrelatedCard.from_lines(card_lines)
+
+    # Verify header recognition
+    assert UnusedCorrelatedCard.is_header_line(card_lines[0])
+
+    # Verify parameter parsing
+    assert len(card.parameters.variables) == 3
+
+
+def test_error_handling():
+    """Test error conditions and validation."""
+    # Test invalid header
+    with pytest.raises(ValueError, match="Invalid header line"):
+        UnusedCorrelatedCard.from_lines(["WRONG header", "NVAR1", "1.2340E+00"])
+
+    # Test missing value line
+    with pytest.raises(ValueError, match="At least one pair of name/value lines required"):
+        UnusedCorrelatedParameters.from_lines(["NVAR1"])
+
+    # Test empty input
+    with pytest.raises(ValueError, match="No lines provided"):
+        UnusedCorrelatedCard.from_lines([])
+
+
+def test_multiple_variable_groups():
+    """Test handling of multiple groups of variables (>8 variables)."""
+    # Create test data with 10 variables (should span multiple lines)
+    names = [f"NVAR{i}" for i in range(1, 11)]
+    values = [float(i) for i in range(1, 11)]
+    variables = [UnusedVariable(name=name, value=value) for name, value in zip(names, values)]
+
+    params = UnusedCorrelatedParameters(variables=variables)
+    lines = params.to_lines()
+
+    # Should produce 4 lines (2 pairs of name/value lines)
+    assert len(lines) == 4
+
+    # First group should have 8 variables
+    assert len(lines[0].split()) == 8
+    # Second group should have 2 variables
+    assert len(lines[2].split()) == 2
+
+
+def test_roundtrip_consistency():
+    """Test that parsing and then formatting produces consistent results."""
+    original_lines = [(" " * 5).join([f"NVAR{i}" for i in range(1, 4)]), "1.2304E+002.9800E+021.5000E-01"]
+
+    # Parse and then format
+    params = UnusedCorrelatedParameters.from_lines(original_lines)
+    output_lines = params.to_lines()
+
+    # Parse the output again
+    params2 = UnusedCorrelatedParameters.from_lines(output_lines)
+
+    # Compare variables
+    assert len(params.variables) == len(params2.variables)
+    for var1, var2 in zip(params.variables, params2.variables):
+        assert var1.name == var2.name
+        assert var1.value == pytest.approx(var2.value)
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/test_config.py b/tests/unit/pleiades/sammy/test_config.py
new file mode 100644
index 0000000..516aa6f
--- /dev/null
+++ b/tests/unit/pleiades/sammy/test_config.py
@@ -0,0 +1,232 @@
+#!/usr/bin/env python
+"""Unit tests for SAMMY configuration classes."""
+
+from pathlib import Path
+
+import pytest
+
+from pleiades.sammy.config import ConfigurationError, DockerSammyConfig, LocalSammyConfig, NovaSammyConfig
+
+
+class TestLocalSammyConfig:
+    """Tests for LocalSammyConfig."""
+
+    def test_create_with_valid_paths(self, temp_working_dir):
+        """Should create config with valid paths."""
+        config = LocalSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            sammy_executable=Path("/usr/local/bin/sammy"),
+            shell_path=Path("/bin/bash"),
+        )
+        assert config.working_dir == temp_working_dir
+        assert config.shell_path == Path("/bin/bash")
+
+    def test_create_with_defaults(self, temp_working_dir):
+        """Should create config with default values."""
+        config = LocalSammyConfig(
+            working_dir=temp_working_dir, output_dir=temp_working_dir / "output", sammy_executable=Path("sammy")
+        )
+        assert config.shell_path == Path("/bin/bash")
+
+    def test_validate_sammy_in_path(self, temp_working_dir, monkeypatch):
+        """Should validate SAMMY executable in PATH."""
+
+        def mock_which(path):
+            return "/usr/local/bin/sammy" if path == "sammy" else None
+
+        monkeypatch.setattr("shutil.which", mock_which)
+
+        config = LocalSammyConfig(
+            working_dir=temp_working_dir, output_dir=temp_working_dir / "output", sammy_executable=Path("sammy")
+        )
+        assert config.validate()
+
+    def test_validate_sammy_not_in_path(self, temp_working_dir, monkeypatch):
+        """Should raise error if SAMMY not in PATH."""
+        monkeypatch.setattr("shutil.which", lambda _: None)
+
+        config = LocalSammyConfig(
+            working_dir=temp_working_dir, output_dir=temp_working_dir / "output", sammy_executable=Path("sammy")
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "not found" in str(exc.value)
+
+    def test_invalid_shell_path(self, temp_working_dir):
+        """Should raise error for invalid shell path."""
+        config = LocalSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            sammy_executable=Path("ls"),  # use a unix command as sammy executable
+            shell_path=Path("/bin/invalid_shell"),
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "Shell not found" in str(exc.value)
+
+
+class TestDockerSammyConfig:
+    """Tests for DockerSammyConfig."""
+
+    def test_create_with_valid_config(self, temp_working_dir):
+        """Should create config with valid values."""
+        config = DockerSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            image_name="kedokudo/sammy-docker",
+            container_working_dir=Path("/sammy/work"),
+            container_data_dir=Path("/sammy/data"),
+        )
+        assert config.image_name == "kedokudo/sammy-docker"
+        assert config.container_working_dir == Path("/sammy/work")
+        assert config.container_data_dir == Path("/sammy/data")
+        # call validate
+        assert config.validate()
+
+    def test_validate_empty_image_name(self, temp_working_dir):
+        """Should raise error for empty image name."""
+        config = DockerSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            image_name="",
+            container_working_dir=Path("/sammy/work"),
+            container_data_dir=Path("/sammy/data"),
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "image name cannot be empty" in str(exc.value)
+
+    def test_validate_relative_container_paths(self, temp_working_dir):
+        """Should raise error for relative container paths."""
+        config = DockerSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            image_name="kedokudo/sammy-docker",
+            container_working_dir=Path("relative/path"),
+            container_data_dir=Path("/sammy/data"),
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "must be absolute" in str(exc.value)
+
+    def test_validate_relative_data_dir(self, temp_working_dir):
+        """Should raise error for relative data dir."""
+        config = DockerSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            image_name="kedokudo/sammy-docker",
+            container_working_dir=Path("/sammy/work"),
+            container_data_dir=Path("relative/path"),
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "must be absolute" in str(exc.value)
+
+    def test_validate_same_container_dirs(self, temp_working_dir):
+        """Should raise error if working and data dirs are same."""
+        same_path = Path("/sammy/work")
+        config = DockerSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            image_name="kedokudo/sammy-docker",
+            container_working_dir=same_path,
+            container_data_dir=same_path,
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "must be different" in str(exc.value)
+
+
+class TestNovaSammyConfig:
+    """Tests for NovaSammyConfig."""
+
+    def test_create_with_valid_config(self, temp_working_dir):
+        """Should create config with valid values."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            url="https://nova.ornl.gov",
+            api_key="valid_api_key",
+            tool_id="neutrons_imaging_sammy",
+        )
+        assert config.url == "https://nova.ornl.gov"
+        assert config.api_key == "valid_api_key"
+        assert config.tool_id == "neutrons_imaging_sammy"
+        assert config.timeout == 3600  # default value
+        # call validate
+        assert config.validate()
+
+    def test_validate_invalid_url(self, temp_working_dir):
+        """Should raise error for invalid URL format."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            url="not_a_url",
+            api_key="valid_api_key",
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "Invalid URL format" in str(exc.value)
+
+    def test_empty_url(self, temp_working_dir):
+        """Should raise error for empty URL."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir, output_dir=temp_working_dir / "output", url="", api_key="valid_api_key"
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "NOVA service URL cannot be empty" in str(exc.value)
+
+    def test_validate_missing_api_key(self, temp_working_dir):
+        """Should raise error for empty API key."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            url="https://nova.ornl.gov",
+            api_key="",
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "API key cannot be empty" in str(exc.value)
+
+    def test_validate_invalid_timeout(self, temp_working_dir):
+        """Should raise error for invalid timeout value."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            url="https://nova.ornl.gov",
+            api_key="valid_api_key",
+            timeout=-1,
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "Invalid timeout value" in str(exc.value)
+
+    def test_create_with_custom_timeout(self, temp_working_dir):
+        """Should accept custom timeout value."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            url="https://nova.ornl.gov",
+            api_key="valid_api_key",
+            timeout=7200,
+        )
+        assert config.timeout == 7200
+
+    def test_empty_tool_id(self, temp_working_dir):
+        """Should raise error for empty tool ID."""
+        config = NovaSammyConfig(
+            working_dir=temp_working_dir,
+            output_dir=temp_working_dir / "output",
+            url="https://nova.ornl.gov",
+            api_key="valid_api_key",
+            tool_id="",
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            config.validate()
+        assert "Tool ID cannot be empty" in str(exc.value)
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/test_factory.py b/tests/unit/pleiades/sammy/test_factory.py
new file mode 100644
index 0000000..6ca5a0d
--- /dev/null
+++ b/tests/unit/pleiades/sammy/test_factory.py
@@ -0,0 +1,259 @@
+import logging
+import shutil
+import subprocess
+from unittest import mock
+
+import pytest
+
+from pleiades.sammy.backends.docker import DockerSammyRunner
+from pleiades.sammy.backends.local import LocalSammyRunner
+from pleiades.sammy.backends.nova_ornl import NovaSammyRunner
+from pleiades.sammy.factory import (
+    BackendNotAvailableError,
+    BackendType,
+    ConfigurationError,
+    SammyFactory,
+)
+from pleiades.sammy.interface import SammyRunner
+
+
+# Mock environment variables for NOVA backend checks
+@pytest.fixture
+def mock_nova_env_vars(monkeypatch):
+    """Mock shutil.which to simulate docker being available."""
+    monkeypatch.setenv("NOVA_URL", "https://mock_nova_url")
+    monkeypatch.setenv("NOVA_API_KEY", "mock_api_key")
+
+
+# Mock shutil.which for backend availability checks
+@pytest.fixture
+def mock_which(monkeypatch):
+    """Mock shutil.which to simulate command availability."""
+
+    def _mock_which(cmd):
+        if cmd == "sammy":
+            return "/usr/bin/sammy"
+        if cmd == "docker":
+            return "/usr/bin/docker"
+        return None
+
+    monkeypatch.setattr(shutil, "which", _mock_which)
+
+
+@pytest.fixture
+def mock_which_unavailable(monkeypatch):
+    """
+    Mock shutil.which to simulate no commands being available
+    except for docker.
+    """
+
+    def _mock_which(cmd):
+        if cmd == "docker":
+            return "/usr/bin/docker"  # Return a valid path for docker
+        return None
+
+    monkeypatch.setattr(shutil, "which", _mock_which)
+
+
+# Mock subprocess.run for Docker backend checks
+@pytest.fixture
+def mock_subprocess_run(monkeypatch):
+    """Mock subprocess.run to simulate successful docker info."""
+
+    def _mock_run(*args, **kwargs):
+        _ = kwargs  # Unused
+        # Check if the command is docker info
+        if args[0] == ["docker", "info"]:
+            return subprocess.CompletedProcess(args=args, returncode=0, stdout=b"Mock docker info")
+        return subprocess.CompletedProcess(args=args, returncode=1)
+
+    monkeypatch.setattr(subprocess, "run", _mock_run)
+
+
+@pytest.fixture
+def mock_subprocess_run_docker_fail(monkeypatch):
+    """Mock subprocess.run to simulate docker info failure."""
+    monkeypatch.setattr(
+        subprocess, "run", lambda *args, **kwargs: subprocess.CompletedProcess(args=args, returncode=1, **kwargs)
+    )
+
+
+# Mock SammyRunner creation for runner tests
+@pytest.fixture
+def mock_sammy_runner(monkeypatch):
+    """Mock SammyRunner to track instantiation."""
+    mock_runner_class = mock.MagicMock(spec=SammyRunner)
+    monkeypatch.setattr("pleiades.sammy.factory.SammyRunner", mock_runner_class)
+    return mock_runner_class
+
+
+class TestSammyFactory:
+    """Tests for SammyFactory."""
+
+    def test_list_available_backends_all_available(self, mock_which, mock_subprocess_run, mock_nova_env_vars):
+        """All backends should be available."""
+        _ = mock_which, mock_subprocess_run, mock_nova_env_vars  # implicitly used by the fixture
+        available = SammyFactory.list_available_backends()
+        assert available == {
+            BackendType.LOCAL: True,
+            BackendType.DOCKER: True,
+            BackendType.NOVA: True,
+        }
+
+    def test_list_available_backends_none_available(
+        self, monkeypatch, mock_which_unavailable, mock_subprocess_run_docker_fail
+    ):
+        """No backends should be available."""
+        _ = mock_which_unavailable, mock_subprocess_run_docker_fail  # implicitly used by the fixture
+        # remove NOVA env vars to simulate unavailability
+        monkeypatch.delenv("NOVA_URL", raising=False)
+        monkeypatch.delenv("NOVA_API", raising=False)
+        # check availability
+        available = SammyFactory.list_available_backends()
+        assert available == {
+            BackendType.LOCAL: False,
+            BackendType.DOCKER: False,
+            BackendType.NOVA: False,
+        }
+
+    def test_create_runner_local(self, mock_sammy_runner, tmp_path, mock_which):
+        """Should create LocalSammyRunner."""
+        _ = mock_sammy_runner, mock_which  # implicitly used by the fixture
+        runner = SammyFactory.create_runner("local", tmp_path)
+        assert isinstance(runner, LocalSammyRunner)  # Check if it's the mocked runner
+
+    def test_create_runner_docker(self, mock_sammy_runner, tmp_path):
+        """Should create DockerSammyRunner."""
+        _ = mock_sammy_runner  # implicitly used by the fixture
+        runner = SammyFactory.create_runner("docker", tmp_path)
+        assert isinstance(runner, DockerSammyRunner)
+
+    def test_create_runner_nova(self, mock_sammy_runner, tmp_path):
+        """Should create NovaSammyRunner."""
+        _ = mock_sammy_runner  # implicitly used by the fixture
+        runner = SammyFactory.create_runner("nova", tmp_path)
+        assert isinstance(runner, NovaSammyRunner)
+
+    def test_create_runner_invalid_backend(self, tmp_path):
+        """Should raise error for invalid backend."""
+        with pytest.raises(ConfigurationError) as exc:
+            SammyFactory.create_runner("invalid", tmp_path)
+        assert "Invalid backend type" in str(exc.value)
+
+    def test_create_runner_local_unavailable(self, mock_which_unavailable, tmp_path):
+        """Should raise error for unavailable local backend."""
+        _ = mock_which_unavailable  # implicitly used by the fixture
+        with pytest.raises(BackendNotAvailableError) as exc:
+            SammyFactory.create_runner("local", tmp_path)
+        assert "Backend local is not available" in str(exc.value)
+
+    def test_create_runner_docker_unavailable(self, mock_which_unavailable, mock_subprocess_run_docker_fail, tmp_path):
+        """Should raise error for unavailable docker backend."""
+        _ = mock_which_unavailable, mock_subprocess_run_docker_fail  # implicitly used by the fixture
+        with pytest.raises(BackendNotAvailableError) as exc:
+            SammyFactory.create_runner("docker", tmp_path)
+        assert "Backend docker is not available" in str(exc.value)
+
+    def test_from_config_valid(self, tmp_path, mock_sammy_runner, mock_which):
+        """Should create runner from valid config file."""
+        _ = mock_sammy_runner, mock_which  # implicitly used by the fixture
+        config_file = tmp_path / "config.yaml"
+        config_file.write_text(
+            f"""
+            backend: local
+            working_dir: {tmp_path}
+            """
+        )
+        runner = SammyFactory.from_config(config_file)
+        assert isinstance(runner, LocalSammyRunner)
+
+    def test_from_config_invalid_yaml(self, tmp_path):
+        """Should raise error for invalid YAML."""
+        config_file = tmp_path / "config.yaml"
+        config_file.write_text("invalid: yaml:")
+        with pytest.raises(ConfigurationError) as exc:
+            SammyFactory.from_config(config_file)
+        assert "Invalid YAML format" in str(exc.value)
+
+    def test_from_config_missing_fields(self, tmp_path):
+        """Should raise error for missing fields."""
+        config_file = tmp_path / "config.yaml"
+        config_file.write_text("backend: local")
+        with pytest.raises(ConfigurationError) as exc:
+            SammyFactory.from_config(config_file)
+        assert "Missing required fields" in str(exc.value)
+
+    def test_from_config_env_vars(self, tmp_path, mock_sammy_runner, monkeypatch, mock_which):
+        """Should expand environment variables."""
+        _ = mock_sammy_runner, mock_which  # implicitly used by the fixture
+        monkeypatch.setenv("MY_VAR", f"{tmp_path}")
+        config_file = tmp_path / "config.yaml"
+        config_file.write_text(
+            """
+            backend: local
+            working_dir: ${MY_VAR}
+            """
+        )
+        runner = SammyFactory.from_config(config_file)
+        assert isinstance(runner, LocalSammyRunner)
+
+    def test_from_config_missing_env_var(self, tmp_path):
+        """Should raise error for missing environment variable."""
+        config_file = tmp_path / "config.yaml"
+        config_file.write_text(
+            """
+            backend: local
+            working_dir: ${MISSING_VAR}
+            """
+        )
+        with pytest.raises(ConfigurationError) as exc:
+            SammyFactory.from_config(config_file)
+        assert "Environment variable not found" in str(exc.value)
+
+    def test_auto_select_local(self, mock_which, mock_subprocess_run, mock_sammy_runner, tmp_path, caplog):
+        """Should auto-select local backend."""
+        _ = mock_which, mock_subprocess_run, mock_sammy_runner  # implicitly used by the fixture
+        caplog.set_level(logging.INFO)
+        runner = SammyFactory.auto_select(tmp_path)
+        assert isinstance(runner, LocalSammyRunner)
+        assert "Attempting to use local backend" in caplog.text
+
+    def test_auto_select_docker(
+        self, monkeypatch, mock_which_unavailable, mock_subprocess_run, mock_sammy_runner, tmp_path, caplog
+    ):
+        """Should auto-select docker backend if local unavailable."""
+        _ = mock_which_unavailable, mock_subprocess_run, mock_sammy_runner  # implicitly used by the fixture
+        # remove NOVA env vars to simulate unavailability
+        monkeypatch.delenv("NOVA_URL", raising=False)
+        monkeypatch.delenv("NOVA_API", raising=False)
+        # check availability
+        caplog.set_level(logging.INFO)
+        runner = SammyFactory.auto_select(tmp_path)
+        assert isinstance(runner, DockerSammyRunner)
+        assert "Attempting to use docker backend" in caplog.text
+
+    def test_auto_select_preferred(self, mock_which, mock_subprocess_run, mock_sammy_runner, tmp_path, caplog):
+        """Should respect preferred backend."""
+        _ = mock_which, mock_subprocess_run, mock_sammy_runner  # implicitly used by the fixture
+        caplog.set_level(logging.INFO)
+        runner = SammyFactory.auto_select(tmp_path, preferred_backend="docker")
+        assert isinstance(runner, DockerSammyRunner)
+        assert "Using preferred backend: docker" in caplog.text
+
+    def test_auto_select_none_available(
+        self, monkeypatch, mock_which_unavailable, mock_subprocess_run_docker_fail, tmp_path, caplog
+    ):
+        """Should raise error if no backends available."""
+        _ = mock_which_unavailable, mock_subprocess_run_docker_fail  # implicitly used by the fixture
+        # remove NOVA env vars to simulate unavailability
+        monkeypatch.delenv("NOVA_URL", raising=False)
+        monkeypatch.delenv("NOVA_API", raising=False)
+        # check availability
+        caplog.set_level(logging.INFO)
+        with pytest.raises(BackendNotAvailableError) as exc:
+            SammyFactory.auto_select(tmp_path)
+        assert "No suitable backend available." in str(exc.value)
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])
diff --git a/tests/unit/pleiades/sammy/test_interface.py b/tests/unit/pleiades/sammy/test_interface.py
new file mode 100644
index 0000000..a3f0842
--- /dev/null
+++ b/tests/unit/pleiades/sammy/test_interface.py
@@ -0,0 +1,206 @@
+#!/usr/bin/env python
+"""Unit tests for SAMMY interface module."""
+
+from datetime import datetime
+
+import pytest
+
+from pleiades.sammy.interface import (
+    BaseSammyConfig,
+    EnvironmentPreparationError,
+    SammyExecutionResult,
+    SammyFiles,
+    SammyRunner,
+)
+
+
+class TestSammyFiles:
+    """Tests for SammyFiles data structure."""
+
+    def test_create_valid(self, mock_sammy_files):
+        """Should create with valid paths."""
+        files = SammyFiles(**mock_sammy_files)
+        assert files.input_file == mock_sammy_files["input_file"]
+        assert files.parameter_file == mock_sammy_files["parameter_file"]
+        assert files.data_file == mock_sammy_files["data_file"]
+
+    def test_validate_missing_file(self, mock_sammy_files, tmp_path):
+        """Should raise FileNotFoundError for missing files."""
+        # Create with non-existent file
+        files = SammyFiles(
+            input_file=tmp_path / "nonexistent.inp",
+            parameter_file=mock_sammy_files["parameter_file"],
+            data_file=mock_sammy_files["data_file"],
+        )
+
+        with pytest.raises(FileNotFoundError) as exc:
+            files.validate()
+        assert "not found" in str(exc.value)
+
+    def test_validate_directory(self, mock_sammy_files):
+        """Should validate input files are actual files not directories."""
+        # Create a directory with same name as input file
+        dir_path = mock_sammy_files["input_file"].parent / "test.inp"
+        dir_path.mkdir(exist_ok=True)
+
+        files = SammyFiles(
+            input_file=dir_path,
+            parameter_file=mock_sammy_files["parameter_file"],
+            data_file=mock_sammy_files["data_file"],
+        )
+
+        with pytest.raises(FileNotFoundError) as exc:
+            files.validate()
+        assert "is not a file" in str(exc.value)
+
+
+class TestSammyExecutionResult:
+    """Tests for SammyExecutionResult data structure."""
+
+    def test_create_success(self):
+        """Should create successful result."""
+        start_time = datetime.now()
+        result = SammyExecutionResult(
+            success=True,
+            execution_id="test_123",
+            start_time=start_time,
+            end_time=start_time,
+            console_output="Normal finish to SAMMY",
+        )
+        assert result.success
+        assert result.error_message is None
+
+    def test_create_failure(self):
+        """Should create failure result."""
+        start_time = datetime.now()
+        result = SammyExecutionResult(
+            success=False,
+            execution_id="test_456",
+            start_time=start_time,
+            end_time=start_time,
+            console_output="Error occurred",
+            error_message="Test error",
+        )
+        assert not result.success
+        assert result.error_message == "Test error"
+
+    def test_runtime_calculation(self):
+        """Should calculate runtime correctly."""
+        from datetime import timedelta
+
+        start_time = datetime.now()
+        end_time = start_time + timedelta(seconds=10)
+        result = SammyExecutionResult(
+            success=True,
+            execution_id="test_789",
+            start_time=start_time,
+            end_time=end_time,
+            console_output="Test output",
+        )
+        assert result.runtime_seconds == pytest.approx(10.0)
+
+
+class MockSammyConfig(BaseSammyConfig):
+    """Mock configuration for testing."""
+
+    def validate(self) -> bool:
+        return super().validate()
+
+
+class TestBaseSammyConfig:
+    """Tests for BaseSammyConfig."""
+
+    def test_validate_working_dir(self, temp_working_dir):
+        """Should validate working directory exists."""
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=temp_working_dir / "output")
+        assert config.validate()
+
+    def test_creates_output_dir(self, temp_working_dir):
+        """Should create output directory if it doesn't exist."""
+        output_dir = temp_working_dir / "new_output"
+        assert not output_dir.exists()
+
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=output_dir)
+        config.validate()
+
+        assert output_dir.exists()
+
+    def test_shared_working_output_dir(self, temp_working_dir):
+        """Should allow working_dir and output_dir to be the same."""
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=temp_working_dir)
+        assert config.validate()
+
+    def test_nested_output_dir(self, temp_working_dir):
+        """Should handle nested output directory."""
+        nested_output = temp_working_dir / "level1" / "level2" / "output"
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=nested_output)
+        config.validate()
+        assert nested_output.exists()
+
+
+class MockSammyRunner(SammyRunner):
+    """Mock runner for testing abstract base class."""
+
+    def prepare_environment(self, files: SammyFiles) -> None:
+        self.prepared = True
+        _ = files  # deal with unused variable warning
+
+    def execute_sammy(self, files: SammyFiles) -> SammyExecutionResult:
+        _ = files  # deal with unused variable warning
+        if not hasattr(self, "prepared"):
+            raise EnvironmentPreparationError("Environment not prepared")
+        return SammyExecutionResult(
+            success=True,
+            execution_id="test",
+            start_time=datetime.now(),
+            end_time=datetime.now(),
+            console_output="Test output",
+        )
+
+    def cleanup(self) -> None:
+        self.cleaned = True
+
+    def validate_config(self) -> bool:
+        return self.config.validate()
+
+
+class TestSammyRunner:
+    """Tests for SammyRunner abstract base class."""
+
+    def test_execution_flow(self, mock_sammy_files, temp_working_dir):
+        """Should follow correct execution flow."""
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=temp_working_dir / "output")
+        runner = MockSammyRunner(config)
+        files = SammyFiles(**mock_sammy_files)
+
+        # Test preparation
+        runner.prepare_environment(files)
+        assert runner.prepared
+
+        # Test execution
+        result = runner.execute_sammy(files)
+        assert result.success
+        assert isinstance(result, SammyExecutionResult)
+
+        # Test cleanup
+        runner.cleanup()
+        assert runner.cleaned
+
+    def test_execution_without_preparation(self, mock_sammy_files, temp_working_dir):
+        """Should raise error if executing without preparation."""
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=temp_working_dir / "output")
+        runner = MockSammyRunner(config)
+        files = SammyFiles(**mock_sammy_files)
+
+        with pytest.raises(EnvironmentPreparationError):
+            runner.execute_sammy(files)
+
+    def test_validate_config(self, temp_working_dir):
+        """Should validate configuration."""
+        config = MockSammyConfig(working_dir=temp_working_dir, output_dir=temp_working_dir / "output")
+        runner = MockSammyRunner(config)
+        assert runner.validate_config()
+
+
+if __name__ == "__main__":
+    pytest.main(["-v", __file__])