MCR-Bands

MCR Bands is a complementary tool to evaluate the extent of rotation ambiguities associated to a particular MCR solution under a set of constraints. When the set of constraints applied during MCR-ALS are not sufficient, instead of a single MCR solution, a set of solutions are obtained fitting equally well the data and fulfilling the constraints of the system.

This tool allows for the quantitative estimation of the extent of this type of uncertainty. It is also useful to evaluate the effect of constraints on rotation ambiguities. In its present implementation, it allows the application of the same constraints as in MCR-ALS.

It has also two versions, one command line version (available under request to the authors) and another one based in the recently developed GUI MATLAB MCR-BANDS interface.

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