Non-targeted UHPLC-MS metabolomic data processing methods: a comparative investigation of normalisation, missing value imputation, transformation and scaling.

Di Guida, Riccardo; Engel, Jasper; Allwood, J William; Weber, Ralf J M; Jones, Martin R; Sommer, Ulf; Viant, Mark R; Dunn, Warwick B

Di Guida, Riccardo; Engel, Jasper; Allwood, J William; Weber, Ralf J M; Jones, Martin R; Sommer, Ulf; Viant, Mark R; Dunn, Warwick B.

Afiliación

Di Guida R; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK ; MRC-ARUK Centre for Musculoskeletal Ageing Research, University of Birmingham, Birmingham, B15 2TT UK.
Engel J; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK ; NERC Biomolecular Analysis Facility-Metabolomics Node (NBAF-B), University of Birmingham, Birmingham, B15 2TT UK.
Allwood JW; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK.
Weber RJ; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK.
Jones MR; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK.
Sommer U; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK ; NERC Biomolecular Analysis Facility-Metabolomics Node (NBAF-B), University of Birmingham, Birmingham, B15 2TT UK.
Viant MR; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK ; NERC Biomolecular Analysis Facility-Metabolomics Node (NBAF-B), University of Birmingham, Birmingham, B15 2TT UK ; Phenome Centre Birmingham, University of Birmingham, Birmingham, B15 2TT UK ; Institute of Metabolis
Dunn WB; School of Biosciences, University of Birmingham, Edgbaston, Birmingham, B15 2TT UK ; MRC-ARUK Centre for Musculoskeletal Ageing Research, University of Birmingham, Birmingham, B15 2TT UK ; Phenome Centre Birmingham, University of Birmingham, Birmingham, B15 2TT UK ; Institute of Metabolism and Syste

Metabolomics ; 12: 93, 2016.

Article en En | MEDLINE | ID: mdl-27123000