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MsQuality

This is the released version of MsQuality; for the devel version, see MsQuality.

All versions 3.24 (devel), 3.23 (release), 3.22, 3.21, 3.20, 3.19, 3.18, 3.17

MsQuality - Quality metric calculation from Spectra, MsExperiment and Chromatograms objects


Bioconductor version: Release (3.23)

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.

Author: Thomas Naake [aut, cre] ORCID iD ORCID: 0000-0001-7917-5580 , Johannes Rainer [aut] ORCID iD ORCID: 0000-0002-6977-7147 , Helge Hecht [ctb], Philippine Louail [aut] ORCID iD ORCID: 0009-0007-5429-6846

Maintainer: Thomas Naake <thomasnaake at googlemail.com>

Citation (from within R, enter citation("MsQuality")):

Thomas Naake, Johannes Rainer, Philippine Louail. MsQuality: MsQuality - Quality metric calculation from Spectra, MsExperiment and Chromatograms objects. doi:10.18129/B9.bioc.MsQuality, R package version 1.12.0, https://bioconductor.org/packages/MsQuality.

Generated from the package metadata; it may differ from the package's own citation.

Installation

To install this package, start R (version "4.6") and enter:

if (!require("BiocManager", quietly = TRUE))
    install.packages("BiocManager")

BiocManager::install("MsQuality")

For older versions of R, please refer to the appropriate Bioconductor release.

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("MsQuality")
QC for metabolomics and proteomics data HTML R Script
Reference ManualPDF
NEWSText

Details

biocViews MassSpectrometry, Metabolomics, Proteomics, QualityControl, Software
Version1.12.0
In Bioconductor sinceBioC 3.17 (R-4.3) (3.5 years)
License GPL-3
Depends R (>= 4.2.0)
Imports BiocParallel (>= 1.32.0), Chromatograms (>= 1.1.5), ggplot2 (>= 3.3.5), htmlwidgets (>= 1.5.3), methods (>= 4.2.0), MsDataHub (>= 1.10.0), MsExperiment (>= 0.99.0), plotly (>= 4.9.4.1), ProtGenerics (>= 1.24.0), rlang (>= 1.1.1), rmzqc (>= 0.7.0), shiny (>= 1.6.0), shinydashboard (>= 0.7.1), Spectra (>= 1.13.2), stats (>= 4.2.0), stringr (>= 1.4.0), tibble (>= 3.1.4), tidyr (>= 1.1.3), utils (>= 4.2.0), MsCoreUtils (>= 1.19.0), MetaboCoreUtils (>= 1.19.2)
System Requirements
URLhttps://www.github.com/tnaake/MsQuality/
See More
Suggests BiocGenerics (>= 0.24.0), BiocStyle (>= 2.6.1), dplyr (>= 1.0.5), knitr (>= 1.11), mzR (>= 2.32.0), rmarkdown (>= 2.7), S4Vectors (>= 0.29.17), testthat (>= 2.2.1)
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Package Archives

Follow Installation instructions to use this package in your R session.

Source Package MsQuality_1.12.0.tar.gz
Windows Binary (x86_64) MsQuality_1.12.0.zip
macOS Binary (big-sur-x86_64) MsQuality_1.12.0.tgz
macOS Binary (sonoma-arm64) MsQuality_1.12.0.tgz
Source Repositorygit clone https://git.bioconductor.org/packages/MsQuality
Source Repository (Developer Access)git clone git@git.bioconductor.org:packages/MsQuality
Package Short Url https://bioconductor.org/packages/MsQuality/
Package Downloads ReportDownload Stats