Qualitative analysis method for improving identification result on basis of near-infrared mode

Abstract

The invention discloses a qualitative analysis method for improving an identification result on the basis of the near-infrared mode. The qualitative analysis method comprises the steps of (1) acquiring near-infrared spectral data of a sample and determining a modeling set and testing sets; (2) carrying out pretreatment, partial-least-square feature extraction and orthogonal-linear-identification feature extraction on the modeling set and the testing sets in sequence; (3) calculating a spectral transformation matrix between the modeling set and the testing sets by adopting a direct model transferring method, and correcting the remaining testing sets; (4) establishing a quantitative analysis model; and (5) carrying out quantitative identification on the remaining testing sets by utilizing the established quantitative analysis model. The qualitative analysis method disclosed by the invention is established on the basis of near-infrared quantitative analysis, and the orthogonal-linear-identification method which is used in multi-classification and two-classification problems is used in the feature extraction step; in addition, the testing sets can be corrected by the direct model transferring method, so that the model applicability caused by long-time spectral shift of the same instrument can be realized and the result of quantitative identification is improved.

Description

technical field [0001] The invention relates to the field of near-infrared qualitative identification, in particular to a qualitative analysis method based on near-infrared to improve identification results. Background technique [0002] Near Infrared Spectrum (NIR) is an electromagnetic radiation wave between visible light (Vis) and mid-infrared (MIR). The first non-visible region discovered in the absorption spectrum. The near-infrared spectrum region is consistent with the combined frequency of the vibration of hydrogen-containing groups (O-H, N-H, C-H) in organic molecules and the absorption region of all levels of frequency multiplication. By scanning the near-infrared spectrum of the sample, the hydrogen-containing groups of organic molecules in the sample can be obtained. The characteristic information of the cluster, and the use of near-infrared spectroscopy to analyze samples has the advantages of convenience, rapidity, efficiency, accuracy and low cost, without de...

AI Technical Summary

Problems solved by technology

[0006] In the practical application of near-infrared spectroscopy for qualitative analysis, many methods use linear discriminant analysis (LDA) in feature extraction. Since the data dimension extracted by the LDA method must be 1 smaller than the number of categories, if the LDA algorithm is used in qualitative analysis , when the number of categories is small, the dimensionality of data extracted by LDA is limited, which may lead to the loss of useful information, or even the complete failure of the algorithm

The small sample problem is the biggest problem of linear discriminant analysis

Images