prep

Example data as used in function <code>CorMID</code>.

datasets

In metabolic flux experiments tracer molecules (often glucose
containing labelled carbon) are incorporated in compounds measured
using mass spectrometry. The mass isotopologue distributions of these
compounds needs to be corrected for natural abundance of labelled
carbon and other effects, which are specific on the compound and
ionization technique applied. This package provides functions to
correct such effects in gas chromatography atmospheric pressure
chemical ionization mass spectrometry analyses.

Jan Lisec

CorMID

Correct Mass Isotopologue Distribution Vectors

prep function

A list of 36 example metabolites.<dl>
<dt>name</dt>
<dd>The compound name.</dd><dt>int</dt>
<dd>A numeric matrix providing peak intensities of isotopologues containing biological carbon (rows) over ten samples (columns).</dd><dt>fml</dt>
<dd>A character vector of the chemical formula of the compound amended by attributes for the number of biological carbons 'nbio' and the number of measured mass isotopologues 'nmz'.</dd>
</dl>

Format

Example data as used in function CorMID. — prep

A list of 36 example metabolites.<dl>
<dt>name</dt>
<dd>The compound name.</dd>

<dt>int</dt>
<dd>A numeric matrix providing peak intensities of isotopologues containing biological carbon (rows) over ten samples (columns).</dd>

<dt>fml</dt>
<dd>A character vector of the chemical formula of the compound amended by attributes for the number of biological carbons 'nbio' and the number of measured mass isotopologues 'nmz'.</dd>


</dl>

prep: Example data as used in function `CorMID`.

Description

Usage

Arguments

Format