Patent ID: 6754543
Filing Date: 2004-06-22
Classification: G01N,G06F

Abstract:
A computer-implementcd method for concentration or property calibration of input data samples from samples of substances or matter to determine a filter model for further samples of the same substance or matter, comprising:optionally trnsforming, centermg and scaling the input data; arranging said input data in an input set matrix X; determining a concentration or property set matrix Y; determining a loading set determining with a computer a score set matrix T with a non-standard PLS algorithm having weights w, wherein weights w are defined by the formula: w=Xâˆ’tnew, with Xâˆ’ representing a generalized inverse of input set matrix X, and w is determined such as to minimize the covariance between matrixes T and Y, which is accomplished by said non-standard PLS algorithm and transforming a score vector t to tnew to be orthogonal to said concentration or propety set matrix Y, the product of the loading set and the score set matrix resembling the input set matrix as much as possible under the constrain that the score set matrix is orthogonal to the concentration or property set matrix;filtering said input data to determine said filter model by subtracting said product from the input set matrix in order to remove variations relating to properties other than present calibration properties; wherein said filter model provides that further samples, of the same type, can be filtered with the filter model.