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Improves content of the index and about page. #208

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2 changes: 1 addition & 1 deletion .github/workflows/build.yml
Original file line number Diff line number Diff line change
@@ -55,7 +55,7 @@ jobs:
# We check for broken links:
# * ignore fonts.gstatic.com which is mentioned by a link preconnect tag that linkchecker does not parse correctly.
# * ignore DOIs since some publishers ban GitHub or bots.
linkchecker --check-extern --no-robots --ignore fonts.gstatic.com --ignore doi.org http://localhost:8880/ --ignore mybinder.org --ignore osti.gov
linkchecker --check-extern --no-robots --ignore fonts.gstatic.com --ignore doi.org http://localhost:8880/ --ignore mybinder.org --ignore osti.gov --no-warnings
# We only check links on Linux since we do not want to get flagged because of too many requests by the target websites.
if: ${{ matrix.os == 'ubuntu-latest' }}
- uses: JamesIves/github-pages-deploy-action@v4.3.3
4 changes: 2 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,12 +1,12 @@
The [echemdb repository](https://github.com/echemdb/website) contains high
quality experimental and theoretical data on electrochemical systems. The
standardized and validated data displayed on the [projects
website](https://echemdb.github.io/website/) so far is from the community and
website](https://www.echemdb.org/) so far is from the community and
publications aiming at fullfilling the [FAIR
principles](https://www.go-fair.org/fair-principles/).

The repository can be browsed on [our
websites](https://echemdb.github.io/website/) or explored with a [Python
websites](https://www.echemdb.org/) or explored with a [Python
API](https://github.com/echemdb/echemdb).

# For developers
2 changes: 1 addition & 1 deletion environment.yml
Original file line number Diff line number Diff line change
@@ -5,7 +5,7 @@ channels:
dependencies:
- astropy
- black
- echemdb>=0.6.0,<0.7.0
- unitpackage>=0.7.1,<0.8.0
- isort
- make
# In early 2022 we had trouble with some recent versions of mkdocs. To work around this issue, we pin mkdocs versions exactly. This pin can likely be relaxed again.
42 changes: 21 additions & 21 deletions pages/about.md
Original file line number Diff line number Diff line change
@@ -1,28 +1,28 @@
# About the project

The echemDB projects aim at standardizing experimental and theoretical 3D or time series data
The echemdb projects aim at standardizing experimental and theoretical 3D or time series data
according to the [FAIR principles](https://www.go-fair.org/fair-principles/).
Ultimately, this approach allows for a seamless comparison of published data
with laboratory-derived data and theoretical models.

The tools are developed focusing on electrochemical data.
The key issues for compliance with the FAIR principles for these data
are (i) metadata standards and (ii) accessibility to published data
which are often not machine-readable. More specifically, research data often stored as CSV
Key issues for compliance with the FAIR principles are that many research areas lack
(i) metadata standards and (ii) published data is mostly inaccessible or
not machine-readable. More specifically, research data often stored as CSV
usually do not contain information on the units of the axis/columns or contain metadata annotating
and describing the data.

To solve these issues, in a first step the authors of echemDB limit themselves to a popular research
To solve these issues, in a first step the authors of echemdb limit themselves to a popular research
field of electrochemistry. In recent decades, the study
of the electrochemical properties of well-defined single crystal electrodes by
cyclic voltammetry has played a crucial role in the fundamental understanding of more
complex three dimensional systems found in more applied research areas or even in application.
These materials are very well defined and the measurement principle is also well established
within the community.
within the community. The validity of our approach to other research areas
is illustrated [here](https://echemdb.github.io/rawtofigure/intro.html).

## Standardization

To standardize CVS data the authors of echemDB adopt
To standardize CSV data the authors of echemdb adopt
the [frictionless datapackage](https://specs.frictionlessdata.io/data-package/#introduction)
structure.
According to frictionless a data package consists of:
@@ -32,12 +32,11 @@ According to frictionless a data package consists of:
>
> The Data Package metadata is stored in a “descriptor”.

The frictionless resource descriptors are enhanced by

The echemDB authors augmented the frictionless schema, by adding
The echemdb authors augmented the frictionless schema, by adding

* units, allowing for simple unit transformations or data manipulation.
* metadata describing a resource within the package.

The metadata describes for example the [electrochemical system](https://github.com/echemdb/metadata-schema/blob/main/examples/objects/system.yaml),
which contains detailed information about the electrodes
or the components of the electrolyte. The metadata also contains information
@@ -55,37 +54,38 @@ and enabling seamless integration into existing workflows.

## Reusability

In order to improve the reusability of published data, the authors of echemDB created
In order to improve the reusability of published data, the authors of echemdb created
[svgdigitizer](https://echemdb.github.io/svgdigitizer/), a tool allowing for
digitizing any kind of published 2D plots from carefully prepared SVG files.
This approach has some superior functionalities compared to other tools, for example,
allowing to extract units from the axis labels or reconstructing a time axis based on a given scan rate.
Modules for specific types of plots, auch as the [electrochemistry module](https://echemdb.github.io/svgdigitizer/workflow.html)
Modules for specific types of plots, such as the [electrochemistry module](https://echemdb.github.io/svgdigitizer/workflow.html)
offers convenience functionality, and allow extracting additional properties such as the reference potential of a potential axis.
By providing a set of metadata, the digitized data can directly be stored as a [unitpackage](https://echemdb.github.io/unitpackage/).

## Contribute

Contributions are always welcome and do not necessarily require programming skills.
Please [leave us a message](https://github.com/orgs/echemdb/discussions)
if you are interested in contributing to the echemDB.
if you are interested in contributing to the echemdb.

You could get started by [digitizing some published data](https://echemdb.github.io/svgdigitizer/workflow.html)
in your area of research or by extending any of the pages of the [echemDB website](https://echemdb.github.io/website/).
in your area of research or by extending any of the pages of the [echemdb website](https://echemdb.github.io/website/).
If your interest is outside of cyclic voltammograms or electrochemistry,
we would also be thrilled to hear about your ideas to extend these projects to other areas.

## What's next

The collection of metadata for a single measurement in the laboratory is often a tedious task.
We are currently [developing a tool](https://github.com/echemdb/autotag-metadata)
that stores a predefined set of metadata along with the measurement data.
Furthermore we develop file converters for electrochemical data,
which in combination with the metadata files produce a [unitpackage](https://echemdb.github.io/unitpackage/).
We anticipate developing additional tools which help in generating [unitpackages](https://echemdb.github.io/unitpackage/)
or allow for interacting with unitpackages.
The latter comprises common tools for the evaluation of electrochemical data.
We also plan to include other electrochemical data from methods other than cyclic voltammetry in our database,
including data which have been recorded concomitantly, such as disc electrode currents
or mass spectrometry signals.

## Contact

The authors of echemDB are from the fields of experimental and theoretical physical chemistry,
The authors of echemdb are from the fields of experimental and theoretical physical chemistry,
as well as from computer science and mathematics.

Ideas and suggestions, tell us more on our [discussion board](https://github.com/orgs/echemdb/discussions).
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188 changes: 188 additions & 0 deletions pages/images/autotag/home_autotag_metadata.svg
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13 changes: 13 additions & 0 deletions pages/index.md
Original file line number Diff line number Diff line change
@@ -58,6 +58,18 @@ renders electrochemical data interoperable.
</figure>

<figure class="echemdb-spotlight" markdown>
![DataAnnotation](./images/autotag/home_autotag_metadata.png)
<figcaption markdown>
## Automated Data Annotation

AutotagMetadata is a tool with a GUI for automated tagging of newly created data with metadata
from a template.

[→ Learn more](https://echemdb.github.io/autotag-metadata/)
</figcaption>
</figure>

<figure class="echemdb-spotlight echemdb-spotlight-reverse" markdown>
![SVGDigitizer](./images/home_digitizer.png)
<figcaption markdown>
## Digitizer
@@ -67,6 +79,7 @@ from published figures,
where machine-readable data is not available.

[→ Learn more](https://echemdb.github.io/svgdigitizer/)

[→ Digitize a plot for echemdb](https://echemdb.github.io/svgdigitizer/workflow.html)

</figcaption>
18 changes: 9 additions & 9 deletions website/generator/database.py
Original file line number Diff line number Diff line change
@@ -15,34 +15,34 @@

"""
# ********************************************************************
# This file is part of echemdb.
# This file is part of echemdb-website.
#
# Copyright (C) 2021 Albert Engstfeld
# Copyright (C) 2021-2023 Albert Engstfeld
# Copyright (C) 2021 Johannes Hermann
# Copyright (C) 2021-2022 Julian Rüth
# Copyright (C) 2021 Nicolas Hörmann
#
# echemdb is free software: you can redistribute it and/or modify
# echemdb-website is free software: you can redistribute it and/or modify
# it under the terms of the GNU General Public License as published by
# the Free Software Foundation, either version 3 of the License, or
# (at your option) any later version.
#
# echemdb is distributed in the hope that it will be useful,
# echemdb-website is distributed in the hope that it will be useful,
# but WITHOUT ANY WARRANTY; without even the implied warranty of
# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
# GNU General Public License for more details.
#
# You should have received a copy of the GNU General Public License
# along with echemdb. If not, see <https://www.gnu.org/licenses/>.
# along with echemdb-website. If not, see <https://www.gnu.org/licenses/>.
# ********************************************************************

import os.path

import echemdb.cv.cv_database
import echemdb.local
import unitpackage.cv.cv_collection
import unitpackage.local

packages = echemdb.local.collect_datapackages(
packages = unitpackage.local.collect_datapackages(
os.path.normpath(os.path.join(os.path.dirname(__file__), "..", "..", "data"))
)

cv = echemdb.cv.cv_database.CVDatabase(packages)
cv = unitpackage.cv.cv_collection.CVCollection(packages)