Man pages for rwehrens/metaMS
MS-based metabolomics annotation pipeline

addRIAdd retention index information to an msp object
alignmentLCLC alignment
AnnotateTableAnnotate a Peaktable
annotations2tabConversion of a list of annotation results into a table
constructExpPseudoSpectraCreate a list of all pseudospectra found in a GC-MS...
createSTDdbGCCreate an in-house database for GC-MS annotation
createSTDdbLCCreate an in-house database for LC-MS annotation
errfMass error surface for Waters Synapt Q-TOF spectrometers
exptableSample table for the generation of a database of standards...
FEMsettingsExample settings for 'metaMS'
GCresultsResults of metaMS for a small GC-MS data set
getAnnotationLCGet LC annotation
getAnnotationMatObtain relative quantitative annotation results for GC-MS
getFeatureInfoConstruct an object containing all meta-information of the...
getPeakTableExtract a peak table from an xcms or CAMERA object
LCDBtestSample DB for LC-MS annotation
LCresultsResult metaMS for a small LC-MS data set
match2ExtDBMatch GC-MS spectra to an external reference DB
matchExpSpecMatch a GC-MS pseudospectrum to a database with a weighted...
matchSamples2DBMatch pseudospectra from several samples to an in-house DB...
matchSamples2SamplesCompare pseudospectra across samples (GC-MS)
metaMS-packageAnalysis pipeline for MS-based metabolomics data
metaMSsettings-classClass '"metaMSsettings"'
metaSetting-methodsGet or set values in metaMSsettings objects
mspFunctions to handle msp-type objects (GC-MS)
peakDetectionWrapper for XCMS peak detection, to be used for both GC-MS...
plotPseudoSpectrumPlot a pseudospectrum.
printStringFunctions for metaMS-formatted text output
processStandardsProcess input files containing raw data for pure standards.
readStdInfoRead information of GC injections of standards from a csv...
removeDoubleMassesRemove double m/z entries in a pseudospectrum
runCAMERAThe CAMERA element in the metaMS pipeline
runGCWrapper for processing of GC-MS data files
runLCWrapper for processing of LC-MS data files
threeStdsDBInformation on three chemical standards measured in GC-MS...
treat.DBScaling of pseudospectra in an msp object
rwehrens/metaMS documentation built on Feb. 27, 2023, 5:13 a.m.