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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: |
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 |
Documentation:
Downloads:
Linking:
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https://CRAN.R-project.org/package=nmrrr
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These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.