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MALDIquant (version 1.22.3)

Quantitative Analysis of Mass Spectrometry Data

Description

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.

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Version

Install

install.packages('MALDIquant')

Monthly Downloads

5,129

Version

1.22.3

License

GPL (>= 3)

Issues

2

Pull Requests

3

Stars

63

Forks

26

Maintainer

Sebastian Gibb

Last Published

August 19th, 2024

Functions in MALDIquant (1.22.3)

estimateBaseline-methods

Estimates the baseline of a MassSpectrum object.
filterPeaks

Removes less frequent peaks.
createMassSpectrum

Creates a MassSpectrum object.
findEmptyMassObjects

Finds or removes empty AbstractMassObject objects in a list.
calibrateIntensity-methods

Calibrates intensities of a MassSpectrum object.
fiedler2009subset

Example Mass Spectra (raw)
match.closest

Relaxed Value Matching
intensityMatrix

Converts a list of MassPeaks objects into a matrix.
createMassPeaks

Creates a MassPeaks object.
detectPeaks-methods

Detects peaks in a MassSpectrum object.
determineWarpingFunctions

Determine warping functions of MassPeaks objects.
estimateNoise-methods

Estimates the noise of a MassSpectrum object.
msiSlices

Turn a list of AbstractMassObjects into a mass spectrometry imaging slice.
monoisotopicPeaks-methods

Finds monoisotopic peaks in a MassPeaks object.
plotMsiSlice-methods

Plots a Mass Spectrometry Imaging dataset.
mergeMassPeaks

Merges MassPeaks objects.
isMassSpectrum

Tests for MassSpectrum or MassPeaks object.
labelPeaks-methods

Draws peak labels to plot.
plot-methods

Plots an AbstractMassObject object.
trim-methods

Trim an AbstractMassObject object.
referencePeaks

Creates a reference MassPeaks object.
isMassSpectrumList

Tests a list of MassSpectrum or MassPeaks objects.
removeBaseline-methods

Removes the baseline of a MassSpectrum object.
warpMassSpectra

Run warping functions on AbstractMassObject objects.
smoothIntensity-methods

Smoothes intensities of a MassSpectrum object.
transformIntensity-methods

Transforms intensities of an AbstractMassObject object.
MassPeaks-class

Class "MassPeaks"
MALDIquant-package

Quantitative Analysis of Mass Spectrometry Data
MassSpectrum-class

Class "MassSpectrum"
MALDIquant-parallel

Parallel Support in Package MALDIquant
alignSpectra

Align MassSpectrum objects.
AbstractMassObject-class

Class "AbstractMassObject"
MALDIquant-defunct

Removed Functions/Methods in Package MALDIquant
binPeaks

Align Peaks into discrete bins.
MALDIquant-deprecated

Deprecated Functions/Methods in Package MALDIquant
averageMassSpectra

Averages MassSpectrum objects.