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:	1.9.5
Depends:	R (≥ 2.10)
Imports:	grDevices, graphics, stats, utils, methods, Matrix
Suggests:	parallel, keras
Published:	2026-02-27
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

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