eRah_DB-class

The eRah_DB class contains the slots for storing and accessing a MS library.

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

eRah_DB-class function

<dl>
<dt><code>name</code></dt>
<dd>The name of the stored library</dd></dl>
<dt><code>version</code></dt>
<dd>The version of the stored library (and which is the database identifier, should be unique and used to check if is the database used in other experiments)</dd>
<dt><code>info</code></dt>
<dd>Character vector containing complementary information about the library.</dd>
<dt><code>database</code></dt>
<dd>A list of S3 objects, which each object contains the information on a different compound.</dd>

Slots

Author

Class "eRah_DB" — eRah_DB-class

<dl>
<dt><code>name</code></dt>
<dd>The name of the stored library</dd>


<dt><code>version</code></dt>
<dd>The version of the stored library (and which is the database identifier, should be unique and used to check if is the database used in other experiments)</dd>


<dt><code>info</code></dt>
<dd>Character vector containing complementary information about the library.</dd>


<dt><code>database</code></dt>
<dd>A list of S3 objects, which each object contains the information on a different compound.</dd>


</dl>

eRah_DB-class: Class `"eRah_DB"`

Description

Arguments

Slots

Author