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# CITATION.cff 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 "mrmhub" in publications use:'
type: software
license: AGPL-3.0-only
title: 'mrmhub: Small Molecule Mass Spectrometry Data Processing, Quality Control,
  and Reporting'
version: 1.0.1
doi: 10.1038/s42255-026-01629-2
identifiers:
- type: doi
  value: 10.32614/CRAN.package.mrmhub
abstract: MRMhub-QUANT, the quantitation and reporting module of the MRMhub toolchain,
  is a tool for processing, quality control, and visualization of targeted metabolomics
  and lipidomics mass spectrometry data.
authors:
- family-names: Burla
  given-names: Bo
  email: bo.burla@nus.edu.sg
  orcid: https://orcid.org/0000-0002-5918-3249
- family-names: Teo
  given-names: Guo Shou
  email: guoshou@nus.edu.sg
  orcid: https://orcid.org/0000-0003-3891-1494
- family-names: Choi
  given-names: Hyungwon
  email: hyung_won_choi@nus.edu.sg
  orcid: https://orcid.org/0000-0002-6687-3088
preferred-citation:
  type: article
  title: 'MRMhub: a scalable data-processing framework for large-scale targeted metabolomics'
  authors:
  - family-names: Burla
    given-names: Bo
    email: bo.burla@nus.edu.sg
    orcid: https://orcid.org/0000-0002-5918-3249
  - family-names: Teo
    given-names: Guoshou
  - family-names: Benke
    given-names: Peter I.
  - family-names: Lu
    given-names: Zinan
  - family-names: Tan
    given-names: Sock Hwee
  - family-names: Ji
    given-names: Shanshan
  - family-names: Oh
    given-names: Jeongah
  - family-names: Lim
    given-names: Pei Yen
  - name: Vaitheeswari
  - family-names: Gao
    given-names: Liang
  - family-names: Cazenave-Gassiot
    given-names: Amaury
  - family-names: Venkataraman
    given-names: Kavita
  - family-names: Tai
    given-names: E Shyong
  - family-names: Torta
    given-names: Federico
  - family-names: Wenk
    given-names: Markus R.
  - family-names: Chan
    given-names: Mark Y.Y.
  - family-names: Choi
    given-names: Hyungwon
    email: hyung_won_choi@nus.edu.sg
    orcid: https://orcid.org/0000-0002-6687-3088
  journal: Nature Metabolism
  year: '2026'
  doi: 10.1038/s42255-026-01629-2
  url: https://github.com/SLINGhub/MRMhub
repository: https://slinghub.r-universe.dev
repository-code: https://github.com/SLINGhub/MRMhub
commit: 46fd887f81ba7a0df73b00e8d8f138e6cdabc395
url: https://slinghub.github.io/MRMhub/quant/
date-released: '2026-10-12'
contact:
- family-names: Burla
  given-names: Bo
  email: bo.burla@nus.edu.sg
  orcid: https://orcid.org/0000-0002-5918-3249