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


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Documentation for package ‘erah’ version 1.1.2

Help Pages

alignComp Alignment of compounds
alignList Alignment list
compInfo Information of a Compound
computeRIerror Retention Index Error Computation
createdt Creating Experiment Tables
dataList Data list
deconvolveComp Deconvolution of compounds in samples
eRah_DB-class Class '"eRah_DB"'
expClasses Experiment classes
export2CEF Export spectra to CEF
export2MSP Export spectra to MSP
findComp Find a Compound
identifyComp Identification of compounds
idList Identification list
importGMD Import MSP files from GMD to R
importMSP Import MSP files to R
MetaboSet-class Class '"MetaboSet"'
metaData Metadata
mslib MassBank Spectral Library
newExp New Experiment
phenoData Show Phenotyphe data
plotAlign Plotting chromatophic profile with and without alignement
plotChr Plotting sample chromatogram
plotProfile Plotting chromatophic profile
plotSpectra Plotting spectra
RawDataParameters-class Class '"RawDataParameters"'
recMissComp Missing compound recovery
sampleInfo Information of the samples
setAlPar Set Alignment Parameters
setDecPar Set Software Parameters
show.MetaboSet Show MetaboSet object