plotAlign

A 'MetaboSet' S4 object containing the experiment after being deconolved, aligned and (optionally) identified.

Experiment

the Id identificator for the compound to be shown.

AlignId

logical. if TRUE the profiles are shown one color per class, if FALSE one color per sample.

per.class

x axsis (retention time) limits (see <code><a rd-options="" href="/link/plot.default?package=erah&version=1.1.2" data-mini-rdoc="erah::plot.default">plot.default</a></code>).

xlim

Plots the chromatophic profiles of the compounds found by eRah. Similarly to plotProfile, but with two sub-windows, showing the chromatophic profiles before and after alignment.

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

plotAlign function

<dl> <dt>Experiment</dt>
<dd>A 'MetaboSet' S4 object containing the experiment after being deconolved, aligned and (optionally) identified.</dd> <dt>AlignId</dt>
<dd>the Id identificator for the compound to be shown.</dd> <dt>per.class</dt>
<dd>logical. if TRUE the profiles are shown one color per class, if FALSE one color per sample.</dd> <dt>xlim</dt>
<dd>x axsis (retention time) limits (see <code><a href="/link/plot.default?package=erah&version=1.1.2" data-mini-rdoc="erah::plot.default">plot.default</a></code>).</dd></dl>

Arguments

Xavier Domingo-Almenara. xavier.domingoa@eurecat.org

Author

Plotting chromatophic profile with and without alignement — plotAlign

<dl>

 <dt>Experiment</dt>
<dd>A 'MetaboSet' S4 object containing the experiment after being deconolved, aligned and (optionally) identified.</dd>

 <dt>AlignId</dt>
<dd>the Id identificator for the compound to be shown.</dd>

 <dt>per.class</dt>
<dd>logical. if TRUE the profiles are shown one color per class, if FALSE one color per sample.</dd>

 <dt>xlim</dt>
<dd>x axsis (retention time) limits (see <code><a href='https://rdrr.io/r/graphics/plot.default.html'>plot.default</a></code>).</dd>

</dl>

plotAlign: Plotting chromatophic profile with and without alignement

Description

Usage

Arguments

Author

See Also