title: Methods for the exploratory analysis of two-dimensional chromatographic signals.
abstract: In this article several approaches for the exploratory analysis of two-dimensional chromatographic signals (fingerprints) are presented. Their usefulness is illustrated on experimental chromatographic data obtained from high performance liquid chromatography using the photodiode-array detector (HPLC-DAD). Among the methods discussed are principal component analysis (PCA), hierarchical clustering methods and several N-way techniques such as PARAFAC, PARAFAC2 and Tucker3. In addition to the N-way methods, other approaches that allow for comparing samples represented by two-dimensional fingerprints are also presented (the Rv coefficient, the STATIS approach and 'fuzzy' variants of the similarity matrix). Exploratory analysis of the HPLC-DAD data with peak shifts is also discussed.
authors.affiliation: Department of Chemometrics, Institute of Chemistry, The University of Silesia, 9 Szkolna Street, 40-006 Katowice, Poland. mdaszyk@us.edu.pl
authors.forename: M
authors.initials: M
authors.lastname: Daszykowski
authors.forename: B
authors.initials: B
authors.lastname: Walczak