# --------------------------------------------
# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
# --------------------------------------------
 
cff-version: 1.2.0
message: 'To cite package "Rdisop" in publications use:'
type: software
license: GPL-2.0-only
title: 'Rdisop: Decomposition of Isotopic Patterns'
version: 1.65.1
doi: 10.1093/bioinformatics/btn603
abstract: Identification of metabolites using high precision mass spectrometry. MS
  Peaks are used to derive a ranked list of sum formulae, alternatively for a given
  sum formula the theoretical isotope distribution can be calculated to search in
  MS peak lists.
authors:
- family-names: Neumann
  given-names: Steffen
  email: sneumann@ipb-halle.de
- family-names: Pervukhin
  given-names: Anton
  email: apervukh@minet.uni-jena.de
preferred-citation:
  type: article
  title: 'SIRIUS: Decomposing isotope patterns for metabolite identification'
  authors:
  - family-names: B"ocker
    given-names: Sebastian
  - family-names: Letzel
    given-names: Matthias
  - family-names: Lipt'ak
    given-names: Zsuzsanna
  - family-names: Pervukhin
    given-names: Anton
    email: apervukh@minet.uni-jena.de
  journal: Bioinformatics
  year: '2009'
  volume: '25'
  issue: '2'
  doi: 10.1093/bioinformatics/btn603
  start: '218'
  end: '224'
repository: https://bioc.r-universe.dev
repository-code: https://github.com/sneumann/Rdisop/issues/new
url: https://github.com/sneumann/Rdisop
date-released: '2023-05-16'
contact:
- family-names: Neumann
  given-names: Steffen
  email: sneumann@ipb-halle.de
references:
- type: article
  title: DECOMP---from interpreting Mass Spectrometry peaks to solving the Money Changing
    Problem
  authors:
  - family-names: B"ocker
    given-names: Sebastian
  - family-names: Lipt'ak
    given-names: Zsuzsanna
  - family-names: Martin
    given-names: Marcel
  - family-names: Pervukhin
    given-names: Anton
  - family-names: Sudek
    given-names: Henner
  journal: Bioinformatics
  year: '2008'
  volume: '24'
  issue: '4'
  doi: 10.1093/bioinformatics/btm631
  start: '591'
  end: '593'
- type: conference-paper
  title: Decomposing metabolomic isotope patterns
  authors:
  - family-names: B"ocker
    given-names: Sebastian
  - family-names: Letzel
    given-names: Matthias
  - family-names: Lipt'ak
    given-names: Zsuzsanna
  - family-names: Pervukhin
    given-names: Anton
  collection-title: Proc. of Workshop on Algorithms in Bioinformatics (WABI 2006)
  collection-type: proceedings
  publisher:
    name: Springer, Berlin
  year: '2006'
  volume: '4175'
  start: '12'
  end: '23'
  conference:
    name: Proc. of Workshop on Algorithms in Bioinformatics (WABI 2006)
- type: article
  title: A fast and simple algorithm for the Money Changing Problem.
  authors:
  - family-names: B"ocker
    given-names: Sebastian
  - family-names: Lipt'ak
    given-names: Zsuzsanna
  journal: Algorithmica
  year: '2007'
  volume: '48'
  issue: '4'
  doi: 10.1007/s00453-007-0162-8
  start: 413-432