metaData

metaData,MetaboSet-method

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>.

Xavier Domingo-Almenara

erah

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

metaData function

<dl><dt>object</dt>
<dd>A 'MetaboSet' S4 object containing the experiment.</dd></dl>

Arguments

metaData-method — metaData

<dl>

<dt>object</dt>
<dd>A 'MetaboSet' S4 object containing the experiment.</dd>

</dl>

metaData: metaData-method

Description

Usage

Arguments

See Also