Journal of Applied Sciences ›› 2006, Vol. 24 ›› Issue (3): 325-330.

• Articles • Previous Articles    

A Novel Approach to Initial Vector Construction in Iterative Target Transformation Factor Analysis

LIU Guang-jun1, GAO Hong-tao1,2   

  1. 1. Department of Chemistry, Jining Teachers College, Jining 272025, China;
    2. Department of Chemistry, Tongji University, Shanghai 200092, China
  • Received:2005-03-02 Revised:2005-05-19 Online:2006-05-31 Published:2006-05-31

Abstract: Iterative target transformation factor analysis (ITTFA), a type of self-modeling curve resolution (SMCR), is commonly applied in spectra decomposition.Construction of favorable initial iterative vectors is the key to ITTFA.A novel approach is proposed to construct better initial vectors based on the chromatographic information provided by evolving factor analysis (EFA).A region containing the peak position at maximum height is determined.Several elements in the region in each initial vector, instead of one element, are initialized as 1.It is unnecessary to determine the exact peak position at maximum height for the resolution of partly overlapping chromatographic profiles, which may avoid the divergence brought about by determination of the peak position at maximum height.In addition, it can give acceptable resolution for the embedded peaks.It was applied to resolve 2-dimensional simulated data and GC/MS data for liquor analysis, the resolutions were reasonable and improved.

Key words: initialization, iterative target transformation factor analysis (ITTFA), initial vector construction

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