Title
A framework for sequential multiblock component methods
Author
Smilde, A.K.
Westerhuis, J.A.
de Jong, S.
Centraal Instituut voor Voedingsonderzoek TNO TNO Voeding
Publication year
2003
Abstract
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.
Subject
Packaging
Analytical research
Consensus PCA
Generalized PCA
Hierarchical PCA
Multiblock methods
Multiway methods
Reversed phase liquid chromatography
Stationary phases
Biology
Calculation
Chemometrics
Data analysis
Principal component analysis
Reversed phase liquid chromatography
Scientific literature
Sequential analysis
Time
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DOI
https://doi.org/10.1002/cem.811
TNO identifier
237118
ISSN
0886-9383
Source
Journal of Chemometrics, 17 (6), 323-337
Document type
article