GCalignR: GCalignR: A Package to Align Gas Chromatography Peaks Based...

GCalignRR Documentation

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


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.


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

GCalignR documentation built on Feb. 16, 2023, 5:23 p.m.