<?xml version="1.0" encoding="UTF-8"?>
<oai_dc:dc xmlns:oai_dc="http://www.openarchives.org/OAI/2.0/oai_dc/" xmlns:dc="http://purl.org/dc/elements/1.1/" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://www.openarchives.org/OAI/2.0/oai_dc/ http://www.openarchives.org/OAI/2.0/oai_dc.xsd">
  <dc:title>Deconvolution and Alignment of 1d NMR Spectra</dc:title>
  <dc:title>R package metabodecon version 1.6.2</dc:title>
  <dc: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) &lt;doi:10.1016/j.jmr.2009.09.003&gt;.
    The alignment part is based on functions from the 'speaq' package, described
    in Beirnaert et al. (2018) &lt;doi:10.1371/journal.pcbi.1006018&gt; and Vu et al.
    (2011) &lt;doi:10.1186/1471-2105-12-405&gt;. A detailed description and evaluation
    of an early version of the package, 'MetaboDecon1D v0.2.2', can be found in
    Haeckl et al. (2021) &lt;doi:10.3390/metabo11070452&gt;.</dc:description>
  <dc:type>Software</dc:type>
  <dc:relation>Depends: R (&gt;= 3.5.0)</dc:relation>
  <dc:relation>Imports: data.table, mathjaxr, readJDX, speaq, toscutil (&gt;= 2.8.0),
withr</dc:relation>
  <dc:relation>Suggests: covr, devtools, diffobj, digest, glue, impute, knitr,
lifecycle, MassSpecWavelet, mdrb, microbenchmark, pkgbuild,
pkgload, R.devices, rcmdcheck, remotes, rmarkdown, testthat (&gt;=
3.0.0), usethis, V8, vdiffr, waldo</dc:relation>
  <dc:creator>Tobias Schmidt &lt;tobias.schmidt331@gmail.com&gt;</dc:creator>
  <dc:publisher>Comprehensive R Archive Network (CRAN)</dc:publisher>
  <dc:contributor>Tobias Schmidt [aut, cre, cph],
  Martina Haeckl [aut, cph],
  Yanren Linda Hu [ctb],
  Wolfram Gronwald [aut, cph]</dc:contributor>
  <dc:rights>GPL (&gt;= 3)</dc:rights>
  <dc:date>2025-09-17</dc:date>
  <dc:format>application/tgz</dc:format>
  <dc:identifier>https://CRAN.R-project.org/package=metabodecon</dc:identifier>
  <dc:identifier>doi:10.32614/CRAN.package.metabodecon</dc:identifier>
  <dc:language>en-US</dc:language>
</oai_dc:dc>
