remove_singletons

Identifies and removes singletons (i.e. peaks that are unique for one sample) from the aligned dataset.

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

remove_singletons function

<dl><dt>data</dt>
<dd>An object of class "GCalign". See <code>align_chromatograms</code> for details. Alternatively, a list of data frames. Whereby each data frame contains the peak list for an individual sample.</dd></dl>

Arguments

Meinolf Ottensmann (meinolf.ottensmann@web.de) &amp; Martin Stoffel (martin.adam.stoffel@gmail.com)

Author

Remove singletons — remove_singletons

<dl>

<dt>data</dt>
<dd>An object of class "GCalign". See <code>align_chromatograms</code> for details. Alternatively, a list of data frames. Whereby each data frame contains the peak list for an individual sample.</dd>

</dl>

remove_singletons: Remove singletons

Description

Usage

Value

Arguments

Author

Examples