Package: erah 2.0.0

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. Package implementation is described in Domingo-Almenara et al. (2016) <doi:10.1021/acs.analchem.6b02927>.

Authors:Xavier Domingo-Almenara [aut, cre, cph], Jasen P. Finch [ctb], Adria Olomi [ctb], Sara Samino [aut], Maria Vinaixa [aut], Alexandre Perera [aut, ths], Jesus Brezmes [aut, ths], Oscar Yanes [aut, ths]

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Bug tracker:https://github.com/xdomingoal/erah-devel/issues

On CRAN:

massspectrometrymetabolomics

30 exports 5 stars 1.54 score 41 dependencies 20 scripts 373 downloads

Last updated 7 months agofrom:6319228133. Checks:OK: 9. Indexed: yes.

Exports:alignCompalignListcompInfocomputeRIerrorcreatedtcreateInstrumentalTablecreatePhenoTabledataListdeconvolveCompexpClassesexport2CEFexport2MSPfindCompidentifyCompidListimportGMDimportMSPmetaDatanewExpphenoDataplanplotAlignplotChrplotProfileplotSpectrarecMissCompsampleInfosetAlParsetDecParshowRTRICurve

Dependencies:cliclueclustercodetoolscpp11crayondigestfansifurrrfutureglobalsglueHiClimRhmsigraphJADElatticelifecyclelistenvmagrittrMASSMatrixMatrixModelsncdf4nnlsosdparallellypillarpkgconfigprettyunitsprogresspurrrquantregR6rlangsignalSparseMsurvivaltibbleutf8vctrs