GCxGC Preprocessing and Analysis

Provides complete detailed preprocessing of two-dimensional gas chromatogram (GCxGC) samples. Baseline correction, smoothing, peak detection, and peak alignment. Also provided are some analysis functions, such as finding extracted ion chromatograms, finding mass spectral data, targeted analysis, and nontargeted analysis with either the 'National Institute of Standards and Technology Mass Spectral Library' or with the mass data. There are also several visualization methods provided for each step of the preprocessing and analysis.


Reference manual

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install.packages("gcxgclab")

1.1.0 by Stephanie Gamble, a year ago


Browse source code at https://github.com/cran/gcxgclab


Authors: Stephanie Gamble [aut, cre] (ORCID: , Mannion Joseph [ctb] , Granger Caroline [ctb] , Battelle Savannah River Alliance [cph] , NNSA , US DOE [fnd]


Documentation:   PDF Manual  


GPL (>= 3) license


Imports ncdf4, dplyr, ggplot2, ptw, stats, utils, nilde, zoo, nls.multstart, Rdpack

Suggests knitr, rmarkdown


See at CRAN