# --------------------------------------------
# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
# --------------------------------------------
 
cff-version: 1.2.0
message: 'To cite package "mssearchr" in publications use:'
type: software
license: MIT
title: 'mssearchr: Library Search Against Electron Ionization Mass Spectral Databases'
version: 0.2.0
doi: 10.1021/jasms.4c00350
identifiers:
- type: doi
  value: 10.32614/CRAN.package.mssearchr
abstract: Perform library searches against electron ionization mass spectral databases
  using either the API provided by 'MS Search' software (<https://chemdata.nist.gov/dokuwiki/doku.php?id=chemdata:nistlibs>)
  or custom implementations of the Identity and Similarity algorithms.
authors:
- family-names: Samokhin
  given-names: Andrey
  email: andrey.s.samokhin@gmail.com
  orcid: https://orcid.org/0000-0003-0223-6087
preferred-citation:
  type: article
  title: 'The Identity Algorithm: How the Most Popular Electron Ionization Mass Spectral
    Library Search Engine Actually Works'
  authors:
  - family-names: Samokhin
    given-names: Andrey
    email: andrey.s.samokhin@gmail.com
    orcid: https://orcid.org/0000-0003-0223-6087
  journal: Journal of the American Society for Mass Spectrometry
  year: '2024'
  volume: '35'
  issue: '12'
  doi: 10.1021/jasms.4c00350
  start: 3178-3183
repository: https://CRAN.R-project.org/package=mssearchr
repository-code: https://github.com/AndreySamokhin/mssearchr
url: https://mass-spec.ru/projects/gcmsdata/mssearchr/eng/
date-released: '2024-12-09'
contact:
- family-names: Samokhin
  given-names: Andrey
  email: andrey.s.samokhin@gmail.com
  orcid: https://orcid.org/0000-0003-0223-6087