MSeasy: Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS) data

Package for the detection of molecules in complex mixtures of compounds. It creates an initial_DATA matrix from several GC-MS analyses by collecting and assembling the information from chromatograms and mass spectra (MS.DataCreation), It can read several format (ASCII, CDF, mzML, mzXML or mzData).It tests for the best unsupervised clustering method to group similar mass spectra into molecules (MS.test.clust).It runs the optimal unsupervised clustering method on the initial_DATA matrix, identifies the optimal number of clusters, produces different files for facilitating the quality control and identification of putative molecules, and returns fingerprinting or profiling matrices (MS.clust).It converts output files from MS.clust for NIST mass spectral library search and ARISTO webtool search

Version: 5.3.3
Depends: amap, clValid, cluster, fpc, mzR, xcms
Suggests: tcltk
Published: 2013-03-20
Author: Elodie Courtois, Yann Guitton, Florence Nicole
Maintainer: Yann GUITTON <yann.guitton at>
License: GPL-2
NeedsCompilation: no
Citation: MSeasy citation info
Materials: ChangeLog
CRAN checks: MSeasy results


Reference manual: MSeasy.pdf
Package source: MSeasy_5.3.3.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
OS X binaries: r-release: not available, r-oldrel: not available
Old sources: MSeasy archive

Reverse dependencies:

Reverse depends: MSeasyTkGUI


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