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Method for identifying and comparing three-dimensional fluorescence spectrogram of soluble organic matter

A dissolved organic matter and fluorescence spectrum technology is applied in the field of identification and comparison of three-dimensional fluorescence spectra of dissolved organic matter in the water environment, which can solve the problems of misjudgment of component identification and low identification rate, and achieve accurate identification and comparison. Improve the effectiveness of the identification and comparison range

Active Publication Date: 2020-07-17
华夏安健物联科技(青岛)有限公司
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Problems solved by technology

[0004] The purpose of the present invention is to provide a method for identifying or discriminating dissolved organic matter in the water environment through three-dimensional fluorescence spectrum, in order to solve the problem of simply constructing a similarity index for the analyzed two-dimensional fluorescence spectrum when analyzing the three-dimensional fluorescence spectrum using a multidimensional analysis algorithm Misjudgment of component identification and low identification rate caused by identification

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  • Method for identifying and comparing three-dimensional fluorescence spectrogram of soluble organic matter
  • Method for identifying and comparing three-dimensional fluorescence spectrogram of soluble organic matter
  • Method for identifying and comparing three-dimensional fluorescence spectrogram of soluble organic matter

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Embodiment

[0056]1. Determination of peak position coordinates and peak intensity: for a sample in a certain water environment, sort out the original output file, specify the row and column information that the relevant software needs to read in, deduct the non-data part of the file, and store it in the software workspace Store corresponding variable names, such as a structure named OriginalData, which mainly includes OriginalData.Ex, OriginalData.Em, OriginalData.X. Among them, OriginalData.Ex is the excitation wavelength [220:5:450], which means scanning from 220nm to 450nm, with a bandwidth of 5nm; OriginalData.Em is the emission wavelength [250:596], which means scanning from 250nm to 596nm; OriginalData.X is 347 A × 47 matrix representing fluorescence intensities at excitation and emission wavelengths. 对OriginalData.X,计算每一列最大值,得到一组向量,该向量为[19.84 20.08 19.97 19.3519.69 20.68 21.28 22.23 24.70 27.27 31.71 36.22 42.62 49.94 48.71 42.32 39.9140.97 41.32 46.55 48.21 51.16 55.28 55.42 57.84...

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Abstract

According to the method for identifying the three-dimensional fluorescence spectrogram of the soluble organic matter, database construction and comparison are carried out at the same time during sample comparison of a fluorescence spectrum database of the soluble organic matter, extended functions such as updating are automatically perfected, and the identification of a tested sample is improved.Necessary data processing is carried out on fluorescence spectrum data of a detected sample, similarity calculation and matching can be carried out on the fluorescence spectrum data and samples in a reference comparison database, and therefore rapid and accurate recognition and judgment are obtained. And the method further includes identifying peak position coordinates and peak intensity information of the sample, establishing a probabilistic neural network, and realizing clustering classification and discrimination of the sample in combination with a Bayes theory; calculating cosine coefficients according to the fluorescence data matrix of the tested sample to obtain a maximum matching degree and a comprehensive similarity coefficient index, and forming spectrogram identification information; performing Cosine similarity coefficient calculation on fluorescence spectrum data obtained through parallel factor analysis and fluorescence spectrum data of all components, and therefore further classification and information identification of samples are achieved.

Description

【Technical field】 [0001] The invention relates to the fields of environmental science, food and beverage, traditional Chinese medicine, spectroscopy and the like, and specifically relates to a method for identifying and comparing three-dimensional fluorescence spectra of dissolved organic matter in a water environment. 【Background technique】 [0002] In recent years, with the development of fluorescence photometers, fluorescence spectrometers with excitation wavelength scanning and emission wavelength scanning functions have become increasingly popular. The three-dimensional fluorescence spectra scanned by such fluorescence spectrometers have been applied in many fields, such as in the development of petroleum products. And oil well drilling classification, drug synthesis and impurity identification, authenticity identification of Chinese herbal medicines, beverage testing such as liquor and tea, medical testing, pesticide residues, etc. In order to make up for the deficienc...

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Application Information

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IPC IPC(8): G01N21/64
CPCG01N21/6402Y02A20/20
Inventor 何鹰魏峨尊王南达高贝贝李京都王欣刘璐宋宗东
Owner 华夏安健物联科技(青岛)有限公司
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