Aligns chromatography peaks with a three step algorithm: (1) Linear transformation of retention times to maximise shared peaks among samples (2) Align peaks within a certain error-interval (3) Merges rows that are likely representing the same substance (i.e. no sample shows peaks in both rows and the rows have similar retention time means). The method was first described in Stoffel et al. (2015) .

Documentation

Manual: GCalignR.pdf
Vignette: GCalignR Step by Step

Maintainer: Meinolf Ottensmann <meinolf.ottensmann at web.de>

Author(s): Martin Stoffel*, Meinolf Ottensmann*, Joseph I. Hoffman*

Install package and any missing dependencies by running this line in your R console:

install.packages("GCalignR")

Depends R (>= 3.2.5)
Imports ggplot2(>=2.2.1), graphics, stats, readr, reshape2, stringr, utils
Suggests knitr, pander, rmarkdown, testthat, vegan(>=2.4.2)
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Package GCalignR
Materials
URL https://github.com/mastoffel/GCalignR
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Version 0.1.0
Published 2017-02-06
License GPL (>= 2)
BugReports https://github.com/mastoffel/GCalignR/issues
SystemRequirements
NeedsCompilation no
Citation
CRAN checks GCalignR check results
Package source GCalignR_0.1.0.tar.gz