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# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
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cff-version: 1.2.0
message: 'To cite package "metabodecon" in publications use:'
type: software
license: GPL-3.0-or-later
title: 'metabodecon: Deconvolution and Alignment of 1d NMR Spectra'
version: 1.2.6
doi: 10.32614/CRAN.package.metabodecon
identifiers:
- type: url
  value: https://spang-lab.github.io/metabodecon/
abstract: 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) <https://doi.org/10.1016/j.jmr.2009.09.003>. The alignment part is based
  on functions from the 'speaq' package, described in Beirnaert et al. (2018) <https://doi.org/10.1371/journal.pcbi.1006018>
  and Vu et al. (2011) <https://doi.org/10.1186/1471-2105-12-405>. A detailed description
  and evaluation of an early version of the package, 'MetaboDecon1D v0.2.2', can be
  found in Haeckl et al. (2021) <https://doi.org/10.3390/metabo11070452>.
authors:
- family-names: Schmidt
  given-names: Tobias
  email: tobias.schmidt331@gmail.com
- family-names: Haeckl
  given-names: Martina
  email: martina.haeckl@stud.uni-regensburg.de
- family-names: Gronwald
  given-names: Wolfram
  email: wolfram.gronwald@klinik.uni-regensburg.de
repository: https://spang-lab.r-universe.dev
repository-code: https://github.com/spang-lab/metabodecon
commit: 7803136138c116ff7ff43a507e8143c1cb90fb94
url: https://github.com/spang-lab/metabodecon/
contact:
- family-names: Schmidt
  given-names: Tobias
  email: tobias.schmidt331@gmail.com