readBruker

This function reads Bruker NMR data. 1D and 2D data are supported.

A collection of functions for processing and analyzing metabolite data.
The namesake function mrbin() converts 1D
or 2D Nuclear Magnetic Resonance data into a matrix of values suitable for further data analysis and
performs basic processing steps in a reproducible way. Negative values, a
common issue in such data, can be replaced by positive values (<doi:10.1021/acs.jproteome.0c00684>). All used
parameters are stored in a readable text file and can be restored from that
file to enable exact reproduction of the data at a later time. The function fia() ranks features according
to their impact on classifier models, especially artificial neural network models.

Matthias Klein

mrbin

Metabolomics Data Analysis Functions

readBruker function

<dl><dt>folder</dt>
<dd>Defines the exact NMR data folder. If NULL, mrbin parameter set is used</dd>
<dt>dimension</dt>
<dd>Defines the data dimension, "1D" or "2D". Only used if not NULL</dd>
<dt>onlyTitles</dt>
<dd>Read only spectrum titles, but no data. Defaults to FALSE</dd>
<dt>useAsNames</dt>
<dd>How should sample names be generated</dd>
<dt>checkFiles</dt>
<dd>Only check if the folder exists or contains NMR data. Defaults to FALSE</dd></dl>

Arguments

A function for reading Bruker NMR spectra. — readBruker

<dl>

<dt>folder</dt>
<dd>Defines the exact NMR data folder. If NULL, mrbin parameter set is used</dd>


<dt>dimension</dt>
<dd>Defines the data dimension, "1D" or "2D". Only used if not NULL</dd>


<dt>onlyTitles</dt>
<dd>Read only spectrum titles, but no data. Defaults to FALSE</dd>


<dt>useAsNames</dt>
<dd>How should sample names be generated</dd>


<dt>checkFiles</dt>
<dd>Only check if the folder exists or contains NMR data. Defaults to FALSE</dd>

</dl>

readBruker: A function for reading Bruker NMR spectra.

Description

Usage

Value

Arguments

Examples