# --------------------------------------------
# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
# --------------------------------------------
 
cff-version: 1.2.0
message: 'To cite package "RMassBank" in publications use:'
type: software
license: Artistic-2.0
title: 'RMassBank: Workflow to process tandem MS files and build MassBank records'
version: 3.15.1
abstract: Workflow to process tandem MS files and build MassBank records. Functions
  include automated extraction of tandem MS spectra, formula assignment to tandem
  MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum
  cleanup, automated retrieval of compound information from Internet databases, and
  export to MassBank records.
authors:
- name: RMassBank at Eawag
  email: massbank@eawag.ch
- family-names: Stravs
  given-names: Michael A.
  email: michael.stravs@eawag.ch
  orcid: https://orcid.org/0000-0002-1426-8572
- family-names: Schymanski
  given-names: Emma L.
  email: emma.schymanski@uni.lu
  orcid: https://orcid.org/0000-0001-6868-8145
- family-names: Neumann
  given-names: Steffen
  email: sneumann@ipb-halle.de
  orcid: https://orcid.org/0000-0002-7899-7192
- family-names: Muller
  given-names: Erik
  orcid: https://orcid.org/0000-0003-3288-0439
- family-names: Stahlhofen
  given-names: Paul
- family-names: Schulze
  given-names: Tobias
  email: tsufz1@gmail.com
  orcid: https://orcid.org/0000-0002-9744-8914
preferred-citation:
  type: article
  title: Automatic Recalibration and Processing of Tandem Mass Spectra using Formula
    Annotation.
  authors:
  - family-names: Stravs
    given-names: Michael A.
    email: michael.stravs@eawag.ch
    orcid: https://orcid.org/0000-0002-1426-8572
  - family-names: Schymanski
    given-names: Emma L.
    email: emma.schymanski@uni.lu
    orcid: https://orcid.org/0000-0001-6868-8145
  - family-names: Singer
    given-names: Heinz
  - family-names: Hollender
    given-names: Juliane
  year: '2013'
  journal: Journal of Mass Spectrometry
  volume: '48'
  issue: '1'
  start: '188'
repository: https://bioc.r-universe.dev
contact:
- name: RMassBank at Eawag
  email: massbank@eawag.ch