Als Scheme Using Extent-based Constraints for the Analysis of Chemical Reaction Systems
نویسندگان
چکیده
Multivariate curve resolution via alternating least squares (ALS) is used to resolve the concentration profiles and the pure component spectra of species from the multivariate absorbance data , assuming the bilinear model = . Due to the possible permutations of profiles and the presence of intensity and rotational ambiguities, soft constraints such as nonnegativity of and as well as unimodality, monotonicity, closure, and local rank selectivity of are typically used to obtain tighter solution bounds for and [1].
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