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").
Sebastian Gibb
Maintainer: Sebastian Gibb mail@sebastiangibb.de
| 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.
S. Gibb and K. Strimmer. 2012.
MALDIquant: a versatile R package for the analysis of mass spectrometry data.
Bioinformatics 28: 2270-2271.
tools:::Rd_expr_doi("10.1093/bioinformatics/bts447")
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/.