MSeasy (5.3)
Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS) data.
http://sites.google.com/site/rpackagemseasy/
http://cran.r-project.org/web/packages/MSeasy
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 (\emph{MS.DataCreation}).It tests for the best unsupervised clustering method to group similar mass spectra into molecules (\emph{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 (\emph{MS.clust}).It converts output files from \emph{MS.clust} for NIST mass spectral library search and ARISTO webtool search
Maintainer:
Unknown
Author(s): Elodie Courtois, Yann Guitton, Florence Nicole
License: GPL-2
Uses: amap, cluster, clValid, fpc
Reverse depends: MSeasyTkGUI
Released about 1 year ago.
