Multivariate Curve Resolution–Alternating Least-Squares

Multivariate curve resolution–alternating least-squares (MCR–ALS) is introduced specifically for calibration with nontrilinear data of type 1, i.e., data involving changes in constituent profiles along one of the instrumental data modes. This behavior is typical of chromatographic-spectral three-way/second-order data. However, the algorithm is more general and can also be applied to trilinear data. Details are given as to how the MVC2 graphical interface can be employed to implement MCR–ALS and produce three-way/second-order calibrations of analytes and their prediction in test samples containing potential interferents.

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