ASSESSMENT OF NEW CONSTRAINTS APPLIED TO THE ALTERNATING LEAST-SQUARES METHOD

The introduction of constraints in multivariate curve resolution metho ds, such as the Alternating Least Squares (ALS), is commonly used to l imit the span of possible solutions, guiding the iterative process to a final result as close as possible to the true situation. In the pres ent work, two modifications of the unimodality constraint and a new co nstraint for chromatographic concentration profiles related to the pre vention of fronting have been checked. Simulated data sets as well as red data have been used to evaluate the effect of these new constraint s in the resolution results. The parameters measured to assess the goo dness of the constraints are related to the recovery of the concentrat ion profiles and to the quality of the data fit.