Staff Publications

Staff Publications

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    'Staff publications' is the digital repository of Wageningen University & Research

    'Staff publications' contains references to publications authored by Wageningen University staff from 1976 onward.

    Publications authored by the staff of the Research Institutes are available from 1995 onwards.

    Full text documents are added when available. The database is updated daily and currently holds about 240,000 items, of which 72,000 in open access.

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Record number 418449
Title New figures of merit for comprehensive functional genomics data: the metabolomics case
Author(s) Batenburg, M.F. van; Coulier, L.; Eeuwijk, F.A. van; Smilde, A.K.; Westerhuis, J.A.
Source Analytical Chemistry 83 (2011)9. - ISSN 0003-2700 - p. 3267 - 3274.
DOI https://doi.org/10.1021/ac102374c
Department(s) Biometris (WU MAT)
PE&RC
Publication type Refereed Article in a scientific journal
Publication year 2011
Keyword(s) measurement error - microbial metabolomics
Abstract In the field of metabolomics, hundreds of metabolites are measured simultaneously by analytical platforms such as gas chromatography/mass spectrometry (GC/MS), liquid chromatography/mass spectrometry (LC/MS) and NMR to obtain their concentration levels in a reliable way. Analytical repeatability (intrabatch precision) is a common figure of merit for the measurement error of metabolites repeatedly measured in one batch on one platform. This measurement error, however, is not constant as its value may depend on the concentration level of the metabolite. Moreover, measurement errors may be correlated between metabolites. In this work, we introduce new figures of merit for comprehensive measurements that can detect these nonconstant correlated errors. Furthermore, for the metabolomics case we identified that these nonconstant correlated errors can result from sample instability between repeated analyses, instrumental noise generated by the analytical platform, or bias that results from data pretreatment
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