The MATLAB® Chemometrics Toolbox is a collection of functions for developing and evaluating the calibration matrices used in chemometric quantitive analysis. The toolbox may be used with any type of chemical or physical data. Common applications include analytical chemistry, spectroscopy and chromatography. The package provides Multiple Linear Regression routines for producing K-, P-, and Q-matrix calibrations and for establishing calibrations in using Factor Analysis (Principal Component Regression) and Partial Least Squares in latent variables. The toolbox consists of routines that implement various statiscally-based calibration methods that have become accepted as standard chemometric techniques. The Chemometric Toolbox is delivered as MATLAB M-files, enabling the user to see the algorithms and implementations, as well as to make changes or create new functions to address a particular application.
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