peak_data

This is an example of a typical gas-chromatography output file, listing a number of peaks with their
respective retention times and abundance measures. Peaks were detected using Xcalibur 2.0.5 (Thermo Fisher Scientific).
The data consists of 41 mother-pup pairs of two different colonies from Bird Island, South Georgia. In addition two blanks (i.e. negative controls) are included.

datasets

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

peak_data function

A <code>list</code> of <code>data.frame</code>'s. Each <code>data.frame</code> contains gas-chromatography peak data of a single sample.
The variables within each <code>data.frame</code> are: "time" (peak retention time) and "area" (integral of the peak curve).
Each list element i.e. each <code>data.frame</code>is named with the unique sample ID.

Format

Gas-chromatography data for Antarctic Fur Seals (Arctocephalus gazella) — peak_data

Gas-chromatography data for Antarctic Fur Seals (Arctocephalus gazella)

peak_data: Gas-chromatography data for Antarctic Fur Seals (Arctocephalus gazella)

Description

Arguments

Format

References