Title: Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS)
Author: Elodie Courtois, Yann Guitton, Florence Nicole
Description: 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 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 identification of
molecules and returns fingerprinting or profiling matrices

Package: MSeasy
Type: Package
Title: Preprocessing of Gas Chromatography-Mass Spectrometry (GC-MS)
data
Version: 5.3.1
Date: 2012-05-12
Depends: amap, clValid, cluster, fpc
Suggests: xcms, tcltk
Author: Elodie Courtois, Yann Guitton, Florence Nicole
Maintainer: <yann.guitton@gmail.com>
Description: 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
License: GPL-2
URL: http://sites.google.com/site/rpackagemseasy/
LazyLoad: yes
Packaged: 2012-08-16 09:18:53 UTC; chimimar
Repository: CRAN
Date/Publication: 2012-08-16 10:15:36

Depends: amap, clValid, cluster, fpc, mzR, xcms
Author: Elodie Courtois <courtoiselodie@gmail.com>, Yann Guitton
from chromatograms and mass spectra (MS.DataCreation), It can
read several format (ASCII, CDF, mzML, mzXML or mzData).It
similar mass spectra into molecules (MS.test.clust).It runs the
optimal unsupervised clustering method on the initial_DATA
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