# --------------------------------------------
# CITATION file created with {cffr} R package
# See also: https://docs.ropensci.org/cffr/
# --------------------------------------------
 
cff-version: 1.2.0
message: 'To cite package "xcms" in publications use:'
type: software
license: GPL-2.0-or-later
title: 'xcms: LC-MS and GC-MS Data Analysis'
version: 4.3.2
identifiers:
- type: doi
  value: 10.32614/CRAN.package.xcms
abstract: Framework for processing and visualization of chromatographically separated
  and single-spectra mass spectral data. Imports from AIA/ANDI NetCDF, mzXML, mzData
  and mzML files. Preprocesses data for high-throughput, untargeted analyte profiling.
authors:
- family-names: Smith
  given-names: Colin A.
  email: csmith@scripps.edu
- family-names: Tautenhahn
  given-names: Ralf
  email: rtautenh@gmail.com
- family-names: Neumann
  given-names: Steffen
  email: sneumann@ipb-halle.de
  orcid: https://orcid.org/0000-0002-7899-7192
- family-names: Benton
  given-names: Paul
  email: hpbenton@scripps.edu
- family-names: Conley
  given-names: Christopher
  email: cjconley@ucdavis.edu
- family-names: Rainer
  given-names: Johannes
  email: johannes.rainer@eurac.edu
  orcid: https://orcid.org/0000-0002-6977-7147
- family-names: Kumler
  given-names: William
  email: wkumler@uw.edu
  orcid: https://orcid.org/0000-0002-5022-8009
- family-names: Louail
  given-names: Philippine
  email: philippine.louail@eurac.edu
  orcid: https://orcid.org/0009-0007-5429-6846
preferred-citation:
  type: article
  title: 'XCMS: Processing mass spectrometry data for metabolite profiling using nonlinear
    peak alignment, matching and identification'
  authors:
  - name: Smith
  - name: C.A.
  - name: Want
  - name: E.J.
  - name: O'Maille
  - name: G.
  - name: Abagyan,R.
  - name: Siuzdak
  journal: Analytical Chemistry
  year: '2006'
  volume: '78'
  start: '779'
  end: '787'
repository: https://bioc.r-universe.dev
repository-code: https://github.com/sneumann/xcms/issues/new
commit: ea3f776db680cbb0a77b0e7d10e6b1765db05229
url: https://github.com/sneumann/xcms
contact:
- family-names: Neumann
  given-names: Steffen
  email: sneumann@ipb-halle.de
  orcid: https://orcid.org/0000-0002-7899-7192
references:
- type: article
  title: Highly sensitive feature detection for high resolution LC/MS
  authors:
  - family-names: Tautenhahn
    given-names: Ralf
  - family-names: Boettcher
    given-names: Christoph
  - family-names: Neumann
    given-names: Steffen
  journal: BMC Bioinformatics
  year: '2008'
  volume: '9'
  start: '504'
- type: article
  title: Correction of mass calibration gaps in liquid chromatography-mass spectrometry
    metabolomics data
  authors:
  - family-names: Benton
    given-names: H. Paul
  - family-names: Want
    given-names: Elizabeth J.
  - family-names: Ebbels
    given-names: Timothy M. D.
  journal: BIOINFORMATICS
  year: '2010'
  volume: '26'
  start: '2488'