Nuclear Magnetic Resonance is widely used for metabolite analysis.
This package is a collection of functions for processing and analyzing metabolite data.
(<doi:10.1021/acs.jproteome.0c00684>). The namesake function converts 1D
or 2D 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, are replaced by positive values. 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.

person(given = "Matthias",
family = "Klein",
role = c("aut", "cre"),
email = "matthias.s.klein@gmx.net",
comment = c(ORCID = "0000-0001-7455-5381"))
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, are 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.

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.