GCalignR

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GCalignR provides simple functions to align peak lists obtained from Gas Chromatography Flame Ionization Detectors (GC-FID) based on retention times and plots to evaluate the quality of the alignment. The package supports any other one-dimensional chromatograpy technique that enables the user to create a peak list with at least one column specifying retention times as illustrated below.

Installing GCalignR:

install.packages("GCalignR", dependencies = T)
    if (!("devtools" %in% rownames(installed.packages()))) { 
    install.packages("devtools")
    } else if (packageVersion("devtools") < 1.6) {
    install.packages("devtools")
    }
    devtools::install_github("mottensmann/GCalignR@v1.0.1-beta", build_vignettes = TRUE)

Get started with GCalignR

To get started read the vignettes:

browseVignettes("GCalignR")

If you encounter bugs or if you have any suggestions for improvement, just contact meinolf.ottensmann[at]web.de

Reference

Ottensmann, M., Stoffel, M.A., Nichols, H.J. Hoffman, J.I. GCalignR: An R package for aligning Gas-Chromatography data. under review.