Local factor analysis of rank-deficient reaction systems
Local factor analysis of rank-deficient reaction systems
The analysis of spectral measurement data sets using local factor analysis (LFA) requires the rank of the sub-matrix under study to be equal to the number of absorbing species present in the associated sub-system. However, because of mass balance or kinetic constraints, LFA will fail if local rank deficiency occurs. A local rank deficiency sub-system may be present in a global full-rank reaction system or a rank-deficient one. In this paper, the problems occurring when using window target-testing factor analysis (WTTFA), one type of the LFA methods, in a local rank-deficient situation are shown. A new augmented WTTFA (AWTTFA) is then proposed for the correct use of WTTFA when rank deficiency occurs. Principles of this new method have been demonstrated by a simulated kinetic system and an industrial batch data set.
Local factor analysis (LFA), Local rank deficiency, Rank deficiency, Window target-testing factor analysis (WTTFA)
1-8
Xu, C. J.
1c4d76ae-4c68-4688-8ef6-88ef2529a436
Gourvénec, S.
6ff91ad8-1a91-42fe-a3f4-1b5d6f5ce0b8
Liang, Y. Z.
30f08ba1-1b92-4d5c-9a36-8a6059f302ef
Massart, D. L.
e45e44fe-05dd-4936-89f0-85fe53999ce5
4 August 2006
Xu, C. J.
1c4d76ae-4c68-4688-8ef6-88ef2529a436
Gourvénec, S.
6ff91ad8-1a91-42fe-a3f4-1b5d6f5ce0b8
Liang, Y. Z.
30f08ba1-1b92-4d5c-9a36-8a6059f302ef
Massart, D. L.
e45e44fe-05dd-4936-89f0-85fe53999ce5
Xu, C. J., Gourvénec, S., Liang, Y. Z. and Massart, D. L.
(2006)
Local factor analysis of rank-deficient reaction systems.
Analytica Chimica Acta, 575 (1), .
(doi:10.1016/j.aca.2006.05.071).
Abstract
The analysis of spectral measurement data sets using local factor analysis (LFA) requires the rank of the sub-matrix under study to be equal to the number of absorbing species present in the associated sub-system. However, because of mass balance or kinetic constraints, LFA will fail if local rank deficiency occurs. A local rank deficiency sub-system may be present in a global full-rank reaction system or a rank-deficient one. In this paper, the problems occurring when using window target-testing factor analysis (WTTFA), one type of the LFA methods, in a local rank-deficient situation are shown. A new augmented WTTFA (AWTTFA) is then proposed for the correct use of WTTFA when rank deficiency occurs. Principles of this new method have been demonstrated by a simulated kinetic system and an industrial batch data set.
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Published date: 4 August 2006
Keywords:
Local factor analysis (LFA), Local rank deficiency, Rank deficiency, Window target-testing factor analysis (WTTFA)
Identifiers
Local EPrints ID: 414641
URI: http://eprints.soton.ac.uk/id/eprint/414641
ISSN: 0003-2670
PURE UUID: d1707e97-46ab-4262-9312-14165773dd94
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Date deposited: 05 Oct 2017 16:30
Last modified: 16 Mar 2024 04:31
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Contributors
Author:
C. J. Xu
Author:
Y. Z. Liang
Author:
D. L. Massart
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