metaboprep: an R package for pre-analysis data description and processing

David A Hughes*, Kurt Taylor, Nancy S Mcbride, Matthew Lee, Dan Mason, Debbie A Lawlor, Nicholas John Timpson, Laura J Corbin*

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)

9 Citations (Scopus)
153 Downloads (Pure)

Abstract

Motivation
Metabolomics is an increasingly common part of health research and there is need for preanalytical data processing. Researchers typically need to characterise the data and to exclude errors within the context of the intended analysis. While some pre-processing steps are common, there is currently a lack of standardization and reporting transparency for these procedures.

Results
Here we introduce metaboprep, a standardised data processing workflow to extract and characterise high quality metabolomics data sets. The package extracts data from pre-formed worksheets, provides summary statistics and enables the user to select samples and metabolites for their analysis based on a set of quality metrics. A report summarising quality metrics and the
influence of available batch variables on the data is generated for the purpose of open disclosure. Where possible, we provide users flexibility in defining their own selection thresholds.

Availability and implementation
metaboprep is an open-source R package available at https://github.com/MRCIEU/metaboprep
Original languageEnglish
Pages (from-to)1980-1987
Number of pages8
JournalBioinformatics
Volume38
Issue number7
Early online date4 Feb 2022
DOIs
Publication statusPublished - 1 Apr 2022

Bibliographical note

Publisher Copyright:
© 2022 The Author(s) 2022. Published by Oxford University Press.

Research Groups and Themes

  • ALSPAC

Keywords

  • Metabolomics
  • mass spectrometry
  • nuclear magnetic resonance
  • evolutionary biology
  • epidemiology
  • cohort
  • pipeline
  • ALSPAC
  • BiB

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