tnaake/msQC: MsQuality - Quality metric calculation from Spectra objects

The MsQuality 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 defined by the Human Proteom Organization-Proteomics Standards Initiative (HUPO-PSI). These metrics quantify the quality of spectral raw files using a controlled vocabulary. The package is especially addressed towards users that acquire mass spectrometry data on a large scale (e.g. data sets from clinical settings consisting of several thousands of samples). The MsQuality package allows to calculate low-level quality metrics that require minimum information on mass spectrometry data: retention time, m/z values, and associated intensities. MsQuality relies on the Spectra package and its infrastructure to store spectral data.

Getting started

Package details

Bioconductor views MassSpectrometry Metabolomics Proteomics QualityControl
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
tnaake/msQC documentation built on Dec. 1, 2022, 10:05 p.m.