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Local factor analysis of rank-deficient reaction systems

Xu, C. J., Gourvénec, S., Liang, Y. Z. & Massart, D. L., 4-Aug-2006, In : Analytica Chimica Acta. 575, 1, p. 1-8 8 p.

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  • Local factor analysis of rank-deficient reaction systems

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DOI

  • C. J. Xu
  • S. Gourvénec
  • Y. Z. Liang
  • D. L. Massart

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.

Original languageEnglish
Pages (from-to)1-8
Number of pages8
JournalAnalytica Chimica Acta
Volume575
Issue number1
Publication statusPublished - 4-Aug-2006

    Keywords

  • Local factor analysis (LFA), Local rank deficiency, Rank deficiency, Window target-testing factor analysis (WTTFA)

ID: 76673608