A novel approach of initial vectors construction in iterative target transformation factor analysis

The construction of the favorable initial iterative vectors is the key to iterative target transformation factor analysis (ITTFA). A tentative approach to construct the better initial vectors, which is based on the chromatographic information provided by evolving factor analysis (EFA), is proposed. A region, which contains the peak position at maximum height, is determined. Several elements in the region of each initial vector, instead of one element, are initialized as 1. The elements out of the region are initialized as 0. So it is not necessary to determine the exact peak position at maximum height for the resolution of partly overlapping chromatographic profiles, which may avoid the divergence brought by determination of the peak position at maximum height. In addition, it may give acceptable resolution for the embedded peaks. It is applied to resolve 2D-simulated data and experimental liquor GC/MS data, the resolutions are reasonable and improved.