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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.
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chemistrynmr-spectroscopy
4.18 score 3 stars 7 scripts 282 downloads