Simple Peak Alignment for Gas-Chromatography Data

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) .


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0.1.0 by Meinolf Ottensmann, 2 months ago

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Authors: Martin Stoffel [aut], Meinolf Ottensmann [aut, cre], Joseph I. Hoffman [aut]

Documentation:   PDF Manual  

GPL (>= 2) license

Imports ggplot2, graphics, stats, readr, reshape2, stringr, utils

Suggests knitr, pander, rmarkdown, testthat, vegan

See at CRAN