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TidyMass an object-oriented reproducible analysis framework for LC-MS data.

ABSTRACT: Reproducibility, traceability, and transparency have been long-standing issues for metabolomics data analysis. Multiple tools have been developed, but limitations still exist. Here, we present the tidyMass project ( https://www.tidymass.org/ ), a comprehensive R-based computational framework that can achieve the traceable, shareable, and reproducible workflow needs of data processing and analysis for LC-MS-based untargeted metabolomics. TidyMass is an ecosystem of R packages that share an underlying design philosophy, grammar, and data structure, which provides a comprehensive, reproducible, and object-oriented computational framework. The modular architecture makes tidyMass a highly flexible and extensible tool, which other users can improve and integrate with other tools to customize their own pipeline.

SUBMITTER: Shen X

PROVIDER: S-EPMC9334349 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature

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TidyMass an object-oriented reproducible analysis framework for LC-MS data.

Shen Xiaotao X Yan Hong H Wang Chuchu C Gao Peng P Johnson Caroline H CH Snyder Michael P MP

Nature communications 20220728 1

Reproducibility, traceability, and transparency have been long-standing issues for metabolomics data analysis. Multiple tools have been developed, but limitations still exist. Here, we present the tidyMass project ( https://www.tidymass.org/ ), a comprehensive R-based computational framework that can achieve the traceable, shareable, and reproducible workflow needs of data processing and analysis for LC-MS-based untargeted metabolomics. TidyMass is an ecosystem of R packages that share an underl ...[more]

PMID: 35902589

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