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Add MsQuality Bioconductor package.
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kozo2 authored Mar 19, 2024
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Expand Up @@ -21,6 +21,50 @@ Metrics generating software with mzQC support:
- [OpenMS](https://github.com/OpenMS/OpenMS): Open-source software C++ library for LC/MS data management and analyses.
- [QCCalculator](https://github.com/bigbio/qccalculator): Python tool for base QC metric calculation from mzML, mzIdentML, and MaxQuant input files.
- [Yamato / SwaMe / Prognosticator](https://github.com/PaulBrack/Yamato): SWATH-MS QC metrics generation tools.
- [MsQuality]: An R Bioconductor package, which provides functionality to calculate quality metrics for mass spectrometry-derived, spectral data at the per-sample level. MsQuality relies on the mzQC framework of quality metrics. It supports the calculation of the following metrics.
- chromatography duration (MS:4000053)
- TIC quarters RT fraction (MS:4000054)
- MS1 quarter RT fraction (MS:4000055)
- MS2 quarter RT fraction (MS:4000056)
- MS1 TIC-change quartile ratios (MS:4000057)
- MS1 TIC quartile ratios (MS:4000058)
- number of MS1 spectra MS:4000059)
- number of MS2 spectra (MS:4000060)
- m/z acquisition range (MS:4000069)
- retention time acquisition range (MS:4000070)
- MS1 signal jump (10x) count (MS:4000097)
- MS1 signal fall (10x) count (MS:4000098)
- number of empty MS1 scans (MS:4000099)
- number of empty MS2 scans (MS:4000100)
- number of empty MS3 scans (MS:4000101)
- MS2 precursor intensity distribution Q1, Q2, Q3 (MS:4000116)
- MS2 precursor intensity distribution mean (MS:4000117)
- MS2 precursor intensity distribution sigma (MS:4000118)
- MS2 precursor median m/z of identified quantification data points (MS:4000152)
- interquartile RT period for identified quantification data points (MS:4000153)
- rate of the interquartile RT period for identified quantification data points (MS:4000154)
- area under TIC (MS:4000155)
- area under TIC RT quantiles (MS:4000156)
- extent of identified MS2 precursor intensity (MS:4000157)
- median of TIC values in the RT range in which the middle half of quantification data points are identified (MS:4000158)
- median of TIC values in the shortest RT range in which half of the quantification data points are identified (MS:4000159)
- MS2 precursor intensity range (MS:4000160)
- identified MS2 precursor intensity distribution Q1, Q2, Q3 (MS:4000161)
- unidentified MS2 precursor intensity distribution Q1, Q2, Q3 (MS:4000162)
- identified MS2 precursor intensity distribution mean (MS:4000163)
- unidentified MS2 precursor intensity distribution mean (MS:4000164)
- identified MS2 precursor intensity distribution sigma (MS:4000165)
- unidentified MS2 precursor intensity distribution sigma (MS:4000166)
- ratio of 1+ over 2+ of all MS2 known precursor charges (MS:4000167)
- ratio of 1+ over 2+ of identified MS2 known precursor charges (MS:4000168)
- ratio of 3+ over 2+ of all MS2 known precursor charges (MS:4000169)
- ratio of 3+ over 2+ of identified MS2 known precursor charges (MS:4000170)
- ratio of 4+ over 2+ of all MS2 known precursor charges (MS:4000171)
- ratio of 4+ over 2+ of identified MS2 known precursor charges (MS:4000172)
- mean MS2 precursor charge in all spectra (MS:4000173)
- mean MS2 precursor charge in identified spectra (MS:4000174)
- median MS2 precursor charge in all spectra (MS:4000175)
- median MS2 precursor charge in identified spectra (MS:4000176)

### A Hub for QC
If you are looking for a home to your QC software or library, check out [MS-Quality-Hub](https://github.com/MS-Quality-Hub). All the above libraries have their development home there and some other very useful repositories.

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