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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 "BRAIN" in publications use:'
type: software
license: GPL-2.0-only
title: 'BRAIN: Baffling Recursive Algorithm for Isotope distributioN calculations'
version: 1.51.0
abstract: Package for calculating aggregated isotopic distribution and exact center-masses
  for chemical substances (in this version composed of C, H, N, O and S). This is
  an implementation of the BRAIN algorithm described in the paper by J. Claesen, P.
  Dittwald, T. Burzykowski and D. Valkenborg.
authors:
- family-names: Dittwald
  given-names: Piotr
  email: piotr.dittwald@mimuw.edu.pl
- family-names: Valkenborg
  given-names: with contributions of Dirk
- family-names: Claesen
  given-names: Jurgen
preferred-citation:
  type: article
  title: An efficient method to calculate the aggregated isotopic distribution and
    exact center-masses
  authors:
  - family-names: Claesen
    given-names: J.
  - family-names: Dittwald
    given-names: P.
  - family-names: Burzykowski
    given-names: T.
  - family-names: Valkenborg
    given-names: D.
  journal: JASMS
  year: '2012'
repository: https://bioc.r-universe.dev
date-released: '2018-08-08'
contact:
- family-names: Dittwald
  given-names: Piotr
  email: piotr.dittwald@mimuw.edu.pl
references:
- type: article
  title: 'BRAIN: a universal tool for high-throughput calculations of the isotopic
    distribution for mass spectrometry'
  authors:
  - family-names: Dittwald
    given-names: P.
  - family-names: Claesen
    given-names: J.
  - family-names: Burzykowski
    given-names: T.
  - family-names: Valkenborg
    given-names: D.
  - family-names: Gambin
    given-names: A.
  journal: Anal Chem.
  year: '2013'