MCR-ALS-Based Mixture System Matrix Spectrum Removal Method

원문 (중국어)

Disclosed is an MCR-ALS-based mixture system matrix spectrum removal method, including: S1) acquiring an original mixed spectrum including a target substance and a matrix and an original matrix spectrum including only the matrix; S2) performing baseline correction and normalization processing to obtain a pre-processed mixed spectrum D and a pre-processed matrix spectrum B; S3) resolving, via the MCR-ALS algorithm through iterative optimization, a pure component spectral matrix S and a weight matrix C corresponding to the matrix and the target substance; S4) reducing the target substance spectrum and the matrix spectrum according to the matrices S and C; S5) matching the decomposed matrix spectrum with a known standard matrix spectrum, and performing qualitative identification; and S6) calculating an interpretation variance of the generated spectrum from the original spectrum. The present disclosure can completely remove the matrix substance spectrum in the mixture spectrum, and has less influence on a characteristic peak of the target substance spectrum; and therefore, the influence of the matrix spectrum on the characteristic peak of the target substance spectrum is reduced, and the subsequent quantitative and qualitative analysis is facilitated.