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The correspondence problem for metabonomics datasets K
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Analytical Chemistry.
2009 (English)In: Analytical and Bioanalytical Chemistry, ISSN 1618-2642, E-ISSN 1618-2650, Vol. 394, 151-162 p.Article in journal (Refereed) Published
Abstract [en]

In metabonomics it is difficult to tell which peak is which in datasets with many samples. This is known as the correspondence problem. Data from different samples are not synchronised, i.e., the peak from one metabolite does not appear in exactly the same place in all samples. For datasets with many samples, this problem is nontrivial, because each sample contains hundreds to thousands of peaks that shift and are identified ambiguously. Statistical analysis of the data assumes that peaks from one metabolite are found in one column of a data table. For every error in the data table, the statistical analysis loses power and the risk of missing a biomarker increases. It is therefore important to solve the correspondence problem by synchronising samples and there is no method that solves it once and for all. In this review, we analyse the correspondence problem, discuss current state-of-the-art methods for synchronising samples, and predict the properties of future methods.

Place, publisher, year, edition, pages
2009. Vol. 394, 151-162 p.
Keyword [en]
Alignment - Warping - Chromatography - Metabolic profiling - NMR - Mass spectrometry (MS)
Identifiers
URN: urn:nbn:se:su:diva-35117DOI: 10.1007/s00216-009-2628-9ISI: 000265035700016OAI: oai:DiVA.org:su-35117DiVA: diva2:286440
Available from: 2010-01-14 Created: 2010-01-14 Last updated: 2017-12-12Bibliographically approved

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