read_empower2

reads output files of the EMPOWER 2 SOFTWARE (Waters). Input files must contain data of single samples deposited within the same directory.

Beta

Aligns peak based on peak retention times and matches homologous peaks
across samples. The underlying alignment procedure comprises three sequential steps.
(1) Full alignment of samples by linear transformation of retention times to
maximise similarity among homologous peaks (2) Partial alignment of peaks within
a user-defined retention time window to cluster homologous peaks (3) Merging rows
that are likely representing homologous substances (i.e. no sample shows peaks in
both rows and the rows have similar retention time means). The algorithm is described in detail
in Ottensmann et al., 2018 <doi:10.1371/journal.pone.0198311>.

Meinolf Ottensmann

GCalignR

Simple Peak Alignment for Gas-Chromatography Data

Martin Stoffel

Hazel J. Nichols

Joseph I. Hoffman

read_empower2 function

<dl><dt>path</dt>
<dd>path to a folder containing input files</dd>
<dt>pattern</dt>
<dd>pattern used to select files. By default ".txt"</dd>
<dt>sep</dt>
<dd>The field separator character. The default is tab separated (<code>sep = '\t'</code>).
See the "sep" argument in <code><a href="/link/read.table?package=GCalignR&version=1.0.7" data-mini-rdoc="GCalignR::read.table">read.table</a></code> for details.</dd>
<dt>skip</dt>
<dd>rows to skip before reading data</dd>
<dt>id</dt>
<dd>column containing sample name</dd></dl>

Arguments

Import data from single EMPOWER2 HPLC files — read_empower2

<dl>

<dt>path</dt>
<dd>path to a folder containing input files</dd>


<dt>pattern</dt>
<dd>pattern used to select files. By default ".txt"</dd>


<dt>sep</dt>
<dd>The field separator character. The default is tab separated (<code>sep = '\t'</code>).
See the "sep" argument in <code><a href='https://rdrr.io/r/utils/read.table.html'>read.table</a></code> for details.</dd>


<dt>skip</dt>
<dd>rows to skip before reading data</dd>


<dt>id</dt>
<dd>column containing sample name</dd>

</dl>

read_empower2: Import data from single EMPOWER2 HPLC files

Description

Usage

Value

Arguments