Local factor analysis of rank-deficient reaction systems

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

*Corresponding author for this work

    Research output: Contribution to journalArticleAcademicpeer-review

    12 Citations (Scopus)

    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.

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

    Keywords

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

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