20 A 23 DE AGOSTO DE 2019

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Second and higher order data generation and processing

 

1) Introduction: Different kind of data that can be generated in the analytical lab. Data: structure and properties. Calibrations. Characteristics of the most usual algorithms.

2) Parallel Factor analysis (PARAFAC): Building of the models. Obtaining information about the system. Prediction of unknown samples. Figures of merit. Software

3) Multivariate Curve Resolution with Alternating Least Squares (MCR-ALS): Building of the models. Obtaining information about the system. Prediction on unknown samples with the pseudounivariate curve with areas computed under the concentration profiles. Software.

4) Partial Least Squares followed of Residual Bilinearization (U-PLS/RBL): Building of the models. Prediction of unknown samples. Figures of merit. Software.

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