Mixture system matrix spectrum removal method based on MCR-ALS

• Main Authors: YU YONG'AI, LI ZIXUAN, DENG ZHAOBIN
• Format: Patent
• Language: Chinese; English
• Published: 05.04.2024
• Subjects: CALCULATING; COMPUTING; COUNTING; INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIRCHEMICAL OR PHYSICAL PROPERTIES; MEASURING; PHYSICS; TESTING

The invention discloses a mixture system matrix spectrum removal method based on MCR-ALS. The method comprises the following steps: S1) obtaining an original mixed spectrum containing a target substance and a matrix and an original matrix spectrum only containing the matrix; s2) performing baseline correction and normalization processing to obtain a preprocessed mixed spectrum D and a preprocessed matrix spectrum B; s3) adopting an MCR-ALS algorithm to calculate a pure substance-based spectrum matrix S and a weight matrix C through iteration; s4) reducing a target substance spectrum and a matrix spectrum according to the matrixes S and C; s5) carrying out matching and qualitative identification on the decomposed matrix spectrum and a known standard matrix spectrum; and S6) calculating an interpretation variance between the generated spectrum and the original spectrum. According to the method, the spectrum of the matrix substance in the spectrum of the mixture can be completely removed, and the influence on th