MALDIquant-package {MALDIquant}

Quantitative Analysis of Mass Spectrometry Data

Description

MALDIquant provides a complete analysis pipeline for matrix-assisted laser desorption/ionization-time-of-flight (MALDI-TOF) and other two-dimensional mass spectrometry data.

In addition to commonly used plotting and processing methods it includes distinctive features, namely baseline subtraction methods such as morphological filters (TopHat) or the statistics-sensitive non-linear iterative peak-clipping algorithm (SNIP), peak alignment using warping functions, handling of replicated measurements as well as allowing spectra with different resolutions.

For a first overview see vignette("MALDIquant-intro", package="MALDIquant") and/or run demo("MALDIquant").

Details

Package:	MALDIquant
License:	GPL (>= 3)
URL:	https://strimmerlab.github.io/software/maldiquant/

Main classes:

• MassPeaks: Represents a peak list of a single spectrum.

• MassSpectrum: Represents a single spectrum.

The accompanying website (see below) provides example R scripts to illustrate the functionality of this package, too.

Author(s)

Sebastian Gibb

Maintainer: Sebastian Gibb [e-mail]

References

S. Gibb and K. Strimmer. 2012. MALDIquant: a versatile R package for the analysis of mass spectrometry data. Bioinformatics 28: 2270-2271. https://academic.oup.com/bioinformatics/article-abstract/28/17/2270/246552

Website: https://strimmerlab.github.io/software/maldiquant/

See Also

• Introduction: vignette("MALDIquant-intro", package="MALDIquant").

• Run demo files: demo("MALDIquant").

• List all available manual pages: library(help="MALDIquant").

• MALDIquant website: https://strimmerlab.github.io/software/maldiquant/.

• more MALDIquant examples and complete analyses: https://github.com/sgibb/MALDIquantExamples/.