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bioRxiv · 10.1101/2023.05.12.540477

MsQuality - an interoperable open-source packagefor the calculation of standardized quality metricsof mass spectrometry data

Naake, T.·Rainer, J.·Huber, W.
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Abstract

MotivationMultiple factors can impact accuracy and reproducibility of mass spectrometry data. There is a need to integrate quality assessment and control into data analytic workflows. ResultsThe MsQuality package calculates 40 low-level quality metrics based on the controlled mzQC vocabulary defined by the HUPO-PSI on a single mass spectrometry-based measurement of a sample. It helps to identify low-quality measurements and track data quality. Its use of community-standard quality metrics facilitates comparability of quality assessment and control (QA/QC) criteria across datasets. AvailabilityThe R package MsQuality is available through Bioconductor at https://bioconductor.org/packages/MsQuality. Contactnaake@embl.de Supplementary informationSupplementary data are available online.

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Naake, T., Rainer, J., Huber, W.. 2023-05-14. MsQuality - an interoperable open-source packagefor the calculation of standardized quality metricsof mass spectrometry data. https://doi.org/10.1101/2023.05.12.540477

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