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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "MsQuality" in publications use:'
type: software
license: GPL-3.0-only
title: 'MsQuality: MsQuality - Quality metric calculation from Spectra, MsExperiment
  and Chromatograms objects'
version: 1.12.0
doi: 10.32614/CRAN.package.MsQuality
abstract: '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, or alternatively the MsExperiment package,
  and its infrastructure to store spectral data. Additionally, MsQuality supports
  Chromatograms objects from the Chromatograms package for chromatographic quality
  metrics.'
authors:
- family-names: Naake
  given-names: Thomas
  email: thomasnaake@googlemail.com
  orcid: https://orcid.org/0000-0001-7917-5580
- family-names: Rainer
  given-names: Johannes
  email: johannes.rainer@eurac.edu
  orcid: https://orcid.org/0000-0002-6977-7147
- family-names: Louail
  given-names: Philippine
  email: philippine.louail@outlook.com
  orcid: https://orcid.org/0009-0007-5429-6846
repository: https://bioc-release.r-universe.dev
repository-code: https://www.github.com/tnaake/MsQuality/
commit: d37d179eaaba8e86dbf1764be7e01c75d63e75ba
url: https://www.github.com/tnaake/MsQuality/
date-released: '2026-03-30'
contact:
- family-names: Naake
  given-names: Thomas
  email: thomasnaake@googlemail.com
  orcid: https://orcid.org/0000-0001-7917-5580