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Characterization of the effect of peak shifts on the performance of the Kalman filter in multicomponent analyses
Author(s) -
Webster Gail Hartmann,
Cecil Todd L.,
Rutan Sarah C.
Publication year - 1989
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/cem.1180030105
Subject(s) - kalman filter , series (stratigraphy) , gaussian , cyclohexane , analytical chemistry (journal) , biological system , pyrene , filter (signal processing) , extended kalman filter , mathematics , chemistry , statistics , computer science , chromatography , computational chemistry , paleontology , organic chemistry , computer vision , biology
The effect of peak shifts on the performance of a Kalman filter multicomponent analysis algorithm has been investigated. A series of Gaussian test systems were employed to characterize the concentration estimation errors and the morphology of the on‐line residuals (the innovations sequence). Both forward and reverse filters were used in the generation of the innovations sequences. It was found that the difference between the forward and reverse innovations sequences gave an accurate indication of the direction and magnitude of the peak shift. A series of overlapped two‐component systems were also investigated. Again, a correlation between the difference innovations and the degree of the response shift was observed. The behavior of the Kalman filter in fitting the shifted fluorescence emission spectrum of benzo[a]pyrene was also examined. The response for benzo[a]pyrene in cyclohexane solution was compared to that obtained on the surface surface of a reversed phase thin layer chromatography plate. A red shift of 4 nm was detected for the surface spectrum by observing the difference innovations sequence. This approach holds promise for correction of response shifts in multicomponent systems.