MULTIVARIATE PEAK PURITY APPROACHES

Authors
SANCHEZ FC VANDENBOGAERT V RUTAN SC MASSART DL
Citation
Fc. Sanchez et al., MULTIVARIATE PEAK PURITY APPROACHES, Chemometrics and intelligent laboratory systems, 34(2), 1996, pp. 139-171
Citations number
46
Categorie Soggetti
Computer Application, Chemistry & Engineering","Instument & Instrumentation","Chemistry Analytical","Computer Science Artificial Intelligence","Robotics & Automatic Control
Journal title
Chemometrics and intelligent laboratory systems → ACNP
ISSN journal
01697439
Volume
34
Issue
2
Year of publication
1996
Pages
139 - 171
Database
ISI
SICI code
0169-7439(1996)34:2<139:MPPA>2.0.ZU;2-4
Abstract
The mathematical basis and interpretation of the results of several mu ltivariate techniques for the determination of the number of compounds present in an evolving multicomponent system are presented. All the t echniques described are applicable to bilinear data matrices obtained from evolutionary processes, i.e., the concentration of each compound evolves with an ordered variable such as time or pH. Their performance for the detection of a minor compound in the presence of a main one i s discussed. The application to systems with more than 2 compounds and the effect of smoothing are also considered.