A reproducible workflow for binning and visualizing NMR (nuclear magnetic resonance) spectra from environmental samples. The 'nmrrr' package is intended for post-processing of NMR data, including importing, merging and, cleaning data from multiple files, visualizing NMR spectra, performing binning/integrations for compound classes, and relative abundance calculations. This package can be easily inserted into existing analysis workflows by users to help with analyzing and interpreting NMR data.
Version: | 1.0.0 |
Depends: | R (≥ 3.50) |
Imports: | DescTools, ggplot2, tidyr, utils |
Suggests: | covr, knitr, rmarkdown, testthat (≥ 3.0.0), tibble |
Published: | 2023-05-10 |
DOI: | 10.32614/CRAN.package.nmrrr |
Author: | Kaizad Patel [aut, cre], Allison Myers-Pigg [aut], Ben Bond-Lamberty [ctb], Morgan Barnes [ctb] |
Maintainer: | Kaizad Patel <kaizad.patel at pnnl.gov> |
BugReports: | https://github.com/kaizadp/nmrrr/issues |
License: | MIT + file LICENSE |
Copyright: | Battelle Memorial Institute |
URL: | https://github.com/kaizadp/nmrrr |
NeedsCompilation: | no |
Materials: | README NEWS |
CRAN checks: | nmrrr results |
Reference manual: | nmrrr.pdf |
Vignettes: |
Introduction to nmrrr |
Package source: | nmrrr_1.0.0.tar.gz |
Windows binaries: | r-devel: nmrrr_1.0.0.zip, r-release: nmrrr_1.0.0.zip, r-oldrel: nmrrr_1.0.0.zip |
macOS binaries: | r-release (arm64): nmrrr_1.0.0.tgz, r-oldrel (arm64): nmrrr_1.0.0.tgz, r-release (x86_64): nmrrr_1.0.0.tgz, r-oldrel (x86_64): nmrrr_1.0.0.tgz |
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