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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 "rawDiag" in publications use:'
type: software
license: GPL-3.0-only
title: 'rawDiag: Brings Orbitrap Mass Spectrometry Data to Life; Fast and Colorful'
version: 1.1.4
doi: 10.1021/acs.jproteome.8b00173
abstract: Optimizing methods for liquid chromatography coupled to mass spectrometry
  (LC-MS) poses a nontrivial challenge. The rawDiag package facilitates rational method
  optimization by generating MS operator-tailored diagnostic plots of scan-level metadata.
  The package is designed for use on the R shell or as a Shiny application on the
  Orbitrap instrument PC.
authors:
- family-names: Panse
  given-names: Christian
  email: cp@fgcz.ethz.ch
  orcid: https://orcid.org/0000-0003-1975-3064
- family-names: Trachsel
  given-names: Christian
  email: Christian.Trachsel@fgcz.ethz.ch
- family-names: Kockmann
  given-names: Tobias
  email: Tobias.Kockmann@fgcz.ethz.ch
preferred-citation:
  type: article
  title: 'rawDiag: An R Package Supporting Rational LC-MS Method Optimization for
    Bottom-up Proteomics'
  authors:
  - family-names: Trachsel
    given-names: Christian
    email: Christian.Trachsel@fgcz.ethz.ch
  - family-names: Panse
    given-names: Christian
    email: cp@fgcz.ethz.ch
    orcid: https://orcid.org/0000-0003-1975-3064
  - family-names: Kockmann
    given-names: Tobias
    email: Tobias.Kockmann@fgcz.ethz.ch
  - family-names: Wolski
    given-names: Witold E.
  - family-names: Grossmann
    given-names: Jonas
  - family-names: Schlapbach
    given-names: Ralph
  journal: Journal of Proteome Research
  year: '2018'
  volume: '17'
  issue: '8'
  month: '7'
  doi: 10.1021/acs.jproteome.8b00173
repository: https://bioc.r-universe.dev
repository-code: https://github.com/fgcz/rawDiag
url: https://github.com/fgcz/rawDiag/
contact:
- family-names: Panse
  given-names: Christian
  email: cp@fgcz.ethz.ch
  orcid: https://orcid.org/0000-0003-1975-3064