erah: Automated Spectral Deconvolution, Alignment, and Metabolite Identification in GC/MS-Based Untargeted Metabolomics

Automated compound deconvolution, alignment across samples, and identification of metabolites by spectral library matching in Gas Chromatography - Mass spectrometry (GC-MS) untargeted metabolomics. Outputs a table with compound names, matching scores and the integrated area of the compound for each sample.

AuthorXavier Domingo-Almenara, Sara Samino, Maria Vinaixa, Alexandre Perera, Oscar Yanes
Date of publication2017-01-14 01:53:04
MaintainerXavier Domingo-Almenara <xdomingo@scripps.edu>
LicenseGPL (>= 2)
Version1.0.5
http://metabolomicsplatform.com/

View on CRAN

Functions

alignComp Man page
alignList Man page
compInfo Man page
createdt Man page
dataList Man page
deconvolveComp Man page
eRah_DB-class Man page
expClasses Man page
export2CEF Man page
export2MSP Man page
findComp Man page
identifyComp Man page
idList Man page
importGMD Man page
importMSP Man page
MetaboSet-class Man page
metaData Man page
mslib Man page
newExp Man page
phenoData Man page
plotAlign Man page
plotChr Man page
plotProfile Man page
plotSpectra Man page
RawDataParameters-class Man page
recMissComp Man page
sampleInfo Man page
setAlPar Man page
setDecPar Man page
show.MetaboSet Man page

Questions? Problems? Suggestions? or email at ian@mutexlabs.com.

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