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Automatic window factor analysis—A more efficient method for determining concentration profiles from evolutionary spectra
Author(s) -
Malinowski Edmund R.
Publication year - 1996
Publication title -
journal of chemometrics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.47
H-Index - 92
eISSN - 1099-128X
pISSN - 0886-9383
DOI - 10.1002/(sici)1099-128x(199607)10:4<273::aid-cem418>3.0.co;2-5
Subject(s) - window (computing) , biological system , titration , computer science , factor (programming language) , chemistry , spectral line , analytical chemistry (journal) , chromatography , physics , biology , programming language , operating system , astronomy
An algorithm called automatic window factor analysis (AUTOWFA) is developed for the purpose of determining, efficiently and automatically, the concentration profiles of the spectroscopically active components present in evolutionary processes, such as chemical titration, chromatography and kinetics. The method not only yields windows and profiles in agreement with those reported in the literature, but also reveals components not detected by precursor techniques. The method, however, has not been optimized and may require user interaction to fine‐tune the windows.