A framework for sequential multiblock component methods

article


Smilde, A.K.

Westerhuis, J.A.

Jong, S.de
Multiblock or multiset methods are starting to be used in chemistry and biology to study complex data sets. In chemometrics, sequential multiblock methods are popular; that is, methods that calculate one component at a time and use deflation for finding the next component. In this paper a framework is provided for sequential multiblock methods, including hierarchical PCA (HPCA; two versions), consensus PCA (CPCA; two versions) and generalized PCA (GPCA). Properties of the methods are derived and characteristics of the methods are discussed. All this is illustrated with a real five-block example from chromatography. The only methods with clear optimization criteria are GPCA and one version of CPCA. Of these, GPCA is shown to give inferior results compared with CPCA. Copyright © 2003 John Wiley & Sons, Ltd.
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Analytical researchConsensus PCAGeneralized PCAHierarchical PCAMultiblock methodsMultiway methodsReversed phase liquid chromatographyStationary phasesBiologyCalculationChemometricsData analysisPrincipal component analysisReversed phase liquid chromatographyScientific literatureSequential analysisTime
TNO Identifier
237118
Repository link
https://resolver.tno.nl/uuid:974bfd4d-1c55-4bfb-9e19-48285f1aa530
ISSN
08869383
Source
Journal of Chemometrics, 17(6), pp. 323-337.
Pages
323-337
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