mrbin: Metabolomics Data Analysis Functions

A collection of functions for processing and analyzing metabolite data. The namesake function mrbin() converts 1D or 2D Nuclear Magnetic Resonance data into a matrix of values suitable for further data analysis and performs basic processing steps in a reproducible way. Negative values, a common issue in such data, can be replaced by positive values (<doi:10.1021/acs.jproteome.0c00684>). All used parameters are stored in a readable text file and can be restored from that file to enable exact reproduction of the data at a later time. The function fia() ranks features according to their impact on classifier models, especially artificial neural network models.

Version:	1.9.4
Depends:	R (≥ 2.10)
Imports:	grDevices, graphics, stats, utils, methods
Suggests:	parallel, keras
Published:	2025-07-16
DOI:	10.32614/CRAN.package.mrbin
Author:	Matthias Klein [aut, cre]
Maintainer:	Matthias Klein <matthias.s.klein at gmx.net>
License:	GPL-3
URL:	https://github.com/kleinomicslab/mrbin
NeedsCompilation:	no
Citation:	mrbin citation info
Materials:	README, NEWS
CRAN checks:	mrbin results

Documentation:

Reference manual:	mrbin.html , mrbin.pdf
Vignettes:	mrbin (source, R code)

Downloads:

Package source:	mrbin_1.9.4.tar.gz
Windows binaries:	r-devel: mrbin_1.9.4.zip, r-release: mrbin_1.9.4.zip, r-oldrel: mrbin_1.9.4.zip
macOS binaries:	r-release (arm64): mrbin_1.9.4.tgz, r-oldrel (arm64): mrbin_1.9.4.tgz, r-release (x86_64): mrbin_1.9.4.tgz, r-oldrel (x86_64): mrbin_1.9.4.tgz
Old sources:	mrbin archive

Linking:

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