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ukbnmr (version 3.3.1)

Removal of Unwanted Technical Variation from UK Biobank NMR Metabolomics Biomarker Data

Description

A suite of utilities for working with the UK Biobank Nuclear Magnetic Resonance spectroscopy (NMR) metabolomics data . Includes functions for extracting biomarkers from decoded UK Biobank field data, removing unwanted technical variation from biomarker concentrations, computing an extended set of lipid, fatty acid, and cholesterol fractions, and for re-deriving composite biomarkers and ratios after adjusting data for unwanted biological variation. For further details on methods see Ritchie SC et al. Sci Data (2023) .

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Version

Install

install.packages('ukbnmr')

Monthly Downloads

283

Version

3.3.1

License

MIT + file LICENSE

Maintainer

Scott Ritchie

Last Published

November 30th, 2025

Functions in ukbnmr (3.3.1)

compute_extended_ratio_qc_flags

Aggregate QC Flags when computing the extended set of biomarker ratios
recompute_derived_biomarkers

Recompute composite biomarkers and ratios from the 107 non-derived biomarkers
remove_technical_variation

Remove technical variation from NMR biomarker data in UK Biobank.
extract_biomarkers

Extract NMR metabolomic biomarkers from a data.frame of UK Biobank fields
nmr_info

Nightingale biomarker information
compute_extended_ratios

Compute extended set of biomarker ratios
extract_sample_qc_flags

Extract NMR sample QC flags from a data.frame of UK Biobank fields
recompute_derived_biomarker_qc_flags

Aggregate QC Flags when recomputing all composite and derived biomarkers
extract_biomarker_qc_flags

Extract NMR biomarker QC flags from a data.frame of UK Biobank fields
sample_qc_info

Nightingale biomarker sample processing information
ukbnmr

Tools for processing the UK Biobank NMR metabolomics biomarker data
test_data

Data for testing package functions