nmrrr: Binning and Visualizing NMR Spectra in Environmental Samples

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: NA
Author: Kaizad Patel ORCID iD [aut, cre], Allison Myers-Pigg ORCID iD [aut], Ben Bond-Lamberty ORCID iD [ctb], Morgan Barnes ORCID iD [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

Documentation:

Reference manual: nmrrr.pdf
Vignettes: Introduction to nmrrr

Downloads:

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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