metabodecon (version 1.6.2)
Deconvolution and Alignment of 1d NMR Spectra
Description
A framework for deconvolution, alignment and postprocessing
of 1-dimensional (1d) nuclear magnetic resonance (NMR) spectra, resulting in
a data matrix of aligned signal integrals. The deconvolution part uses the
algorithm described in Koh et al. (2009) .
The alignment part is based on functions from the 'speaq' package, described
in Beirnaert et al. (2018) and Vu et al.
(2011) . A detailed description and evaluation
of an early version of the package, 'MetaboDecon1D v0.2.2', can be found in
Haeckl et al. (2021) .