gcxgclab: 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.

Version: 1.0.1
Depends: R (≥ 4.2.0)
Imports: ncdf4 (≥ 1.19.0), dplyr (≥ 1.0.8), ggplot2 (≥ 3.3.5), ptw (≥ 1.9.16), stats (≥ 4.2.0), utils (≥ 4.2.0), nilde (≥ 1.1.6), zoo (≥ 1.8.11), nls.multstart (≥ 1.3.0), Rdpack (≥ 2.4.0)
Suggests: knitr, rmarkdown
Published: 2024-01-22
Author: Stephanie Gamble ORCID iD [aut, cre], Mannion Joseph [ctb], Granger Caroline [ctb], Battelle Savannah River Alliance [cph], NNSA, US DOE [fnd]
Maintainer: Stephanie Gamble <stephanie.gamble at srnl.doe.gov>
License: GPL (≥ 3)
NeedsCompilation: no
CRAN checks: gcxgclab results

Documentation:

Reference manual: gcxgclab.pdf
Vignettes: gcxgclab: GCxGC Preprocessing and Analysis

Downloads:

Package source: gcxgclab_1.0.1.tar.gz
Windows binaries: r-prerel: gcxgclab_1.0.1.zip, r-release: gcxgclab_1.0.1.zip, r-oldrel: gcxgclab_1.0.1.zip
macOS binaries: r-prerel (arm64): gcxgclab_1.0.1.tgz, r-release (arm64): gcxgclab_1.0.1.tgz, r-oldrel (arm64): gcxgclab_1.0.1.tgz, r-prerel (x86_64): gcxgclab_1.0.1.tgz, r-release (x86_64): gcxgclab_1.0.1.tgz
Old sources: gcxgclab archive

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