Spectral basic dimension correction and differential analysis method based on moving least squares method

Abstract

The present invention belongs to the field of metrology, and more specifically relates to a spectral basic dimension correction and differential analysis method based on a moving least squares method.The method comprises: performing basic dimension correction on the spectrum obtained from known standard substances (series) by using the moving least squares method; using the corrected spectrum toperform differential analysis, specifically: using multiple spectra obtained from known standard substances (series) to perform cycle subtraction operations to obtain the maximum safety threshold of the system; performing cycle subtraction operations of multiple spectra between the known non-standard substances (series) and the known standard substances (series) to obtain the minimum warning threshold of the system; and performing cycle subtraction operations between the unknown sample spectrum and the known standard substances (series) spectrum, and obtaining a spectrum analysis result aftercomparing the difference values with the maximum safety threshold and the minimum safety threshold.

Description

technical field [0001] The invention belongs to the field of metrology, and more specifically relates to a method for correcting and differentially analyzing the basic dimensions of spectrograms based on the moving least squares method. Background technique [0002] Spectral analysis is an indispensable technique in contemporary scientific research. In the basic discipline—chemistry, four major spectra—mass spectrometry, nuclear magnetic resonance, vibrational spectroscopy such as infrared spectroscopy, electronic transition such as ultraviolet-visible spectroscopy, and combined spectroscopy such as thermal analysis-infrared and gas chromatography-mass spectroscopy have been gradually developed. etc. as a series of spectral characterization methods as advanced methods. [0003] Traditional spectral analysis methods capture and analyze local information in chemistry, such as split peak coupling analysis in nuclear magnetic resonance, derivative spectral peak analysis in ultr...

AI Technical Summary

Problems solved by technology

In fact, as the structure, composition and ratio of the research object become more and more complex, the detection information of the instrument is more and more, and the spectral information is becoming more and more abundant, and it is becoming more and more difficult to analyze.

For some natural extracts, especially animal and plant extracts containing tens or even hundreds of components, it is difficult for us to fully resolve the attribution of each peak in the spectrum or the meaning of each data point. The spectrogram analysis method has certain limitations and operational difficulties.

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