<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE pkgmetadata SYSTEM "http://www.gentoo.org/dtd/metadata.dtd">
<pkgmetadata>
	<longdescription>
		Deconvolution, Alignment and Model Fitting of 1d NMR Spectra //
		An integrated framework for deconvolution, alignment and
		postprocessing of 1-dimensional (1d) nuclear magnetic resonance
		(NMR) spectra, extended with end-to-end model fitting that
		turns the resulting matrix of aligned signal integrals into
		classification models. The deconvolution part uses the
		algorithm described in Koh et al. (2009)
		doi:10.1016/j.jmr.2009.09.003. The alignment part is based on
		functions from the 'speaq' package, described in Beirnaert et
		al. (2018) doi:10.1371/journal.pcbi.1006018 and Vu et al.
		(2011) doi:10.1186/1471-2105-12-405. A detailed description and
		evaluation of an early version of the package can be found in
		Haeckl et al. (2021) doi:10.3390/metabo11070452.
		'metabodeconplus' is the actively developed successor to the
		'metabodecon' package and introduces backwards-incompatible API
		changes.
	</longdescription>
</pkgmetadata>
