GCalignR {GCalignR}R Documentation

GCalignR: A Package to Align Gas Chromatography Peaks Based on Retention Times

Description

GCalignR contains the functions listed below. Follow the links to access the documentation of each function.

align_chromatograms executes all alignment steps.

as.data.frame.GCalign exports aligned data to data frames.

check_input tests the input data for formatting issues.

draw_chromatogram visualises peak lists in form of a chromatogram.

find_peaks detects and calculates peak heights in chromatograms. Not intended to be used for peak integration in empirical data. Used for illustration purposes only.

gc_heatmap visualises aligned datasets using heatmaps that can be customised.

norm_peaks allows to compute the relative abundance of peaks with samples.

peak_interspace gives a histogram of the distance between peaks within samples over the whole dataset.

read_peak_list reads the content of a text file and converts it to a list.

remove_blanks removes peaks resembling contaminations from aligned datasets.

remove_singletons removes peaks that are unique for one individual sample.

simple_chroma creates simple chromatograms for testing and illustration purposes.

Details

More details on the package are found in the vignettes that can be accessed via browseVignettes("GCalignR").

Author(s)

Maintainer: Meinolf Ottensmann meinolf.ottensmann@web.de (ORCID)

Authors:

See Also

Useful links:

[Package GCalignR version 1.0.7 Index]