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: 1.7.5
Depends: R (≥ 2.10)
Imports: grDevices, graphics, stats, utils, methods
Suggests: parallel, keras
Published: 2024-06-12
DOI: 10.32614/CRAN.package.mrbin
Author: Matthias Klein ORCID iD [aut, cre]
Maintainer: Matthias Klein <matthias.s.klein at>
License: GPL-3
NeedsCompilation: no
Citation: mrbin citation info
Materials: README NEWS
CRAN checks: mrbin results


Reference manual: mrbin.pdf
Vignettes: mrbin


Package source: mrbin_1.7.5.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
macOS binaries: r-release (arm64): mrbin_1.7.5.tgz, r-oldrel (arm64): mrbin_1.7.5.tgz, r-release (x86_64): mrbin_1.7.5.tgz, r-oldrel (x86_64): mrbin_1.7.5.tgz
Old sources: mrbin archive


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