Method for judging category of fixed substance based on Raman spectrum

Abstract

The invention relates to a method for judging the category of a fixed substance based on Raman spectrum, which comprises the following specific steps of S1, collection of sample spectrum: in a darkroom, randomly selecting three positions of the fixed substance to be detected for measurement by using a handheld Raman spectrometer with laser output power of 200mW and integral time of 15S, and repeatedly measuring for 8 times at each position, S2, preprocessing the data: carrying out baseline correction on the collected data, and carrying out normalization processing on the data to obtain a normalized Raman spectrum of the fixed substance to be detected, S3, carrying out principal component analysis on the obtained normalized Raman spectrum original data, carrying out calculation by replacing spectral data with a score of principal component analysis to obtain a characteristic matrix of a sample, firstly establishing a mahalanobis distance discrimination model, then analyzing the mahalanobis distance discrimination model, and carrying out category discrimination on the fixed substances by adopting minimum classification discrimination, and S4, in the classification process, taking the Raman spectrum data of the fixed substance as a sample library, establishing a training set and a discrimination function, and discriminating which category the fixed substance belongs to.

Description

technical field [0001] The invention relates to the field of application of Raman spectroscopy, in particular to a method for judging the category of fixed substances based on Raman spectroscopy. Background technique [0002] In recent years, modern detection technology has begun to be applied to the study of fixed substances, and the spectral characteristics of fixed substances have also attracted the attention of researchers. Fu Xiufeng et al. used proton-induced X-ray fluorescence technology, X-ray diffraction, scanning electron microscopy, etc. to detect different types of fixed substances, and analyzed their composition and microstructure; Luo Zemin et al. used laser ablation inductively coupled plasma spectroscopy. The content of trace elements in different types of fixed substances was detected, and it was found that there were certain differences in the contents of trace elements; some used laser-induced breakdown spectroscopy to measure the spectra of different type...

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Problems solved by technology

However, the above-mentioned measurement methods are all lossy or micro-destructive measurements.

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