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A Database-Based Raman Spectroscopy Preprocessing Method

A Raman spectrum and database technology, applied in the field of Raman spectrum preprocessing, can solve problems such as loss of high-frequency signal data, sensitive parameter setting of wavelet transform method, and failure to remove fluorescence background interference, etc., to improve signal-to-noise ratio and improve prediction Effects of processing accuracy and shortening acquisition time

Inactive Publication Date: 2020-09-08
TIANJIN UNIV
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0005] At present, the commonly used Raman spectrum preprocessing methods include smoothing, derivation, standard normal transformation, wavelet transformation, etc., but each method has certain limitations, for example: the smoothing method may lose useful high-frequency signal data ; The derivative method will introduce new noise; the standard normal transformation method cannot remove the fluorescence background interference; the wavelet transformation method is sensitive to parameter settings, etc.

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Embodiment 1

[0029] A database-based Raman spectrum preprocessing method, including: the steps of pre-experiment, pre-classification, data acquisition, noise evaluation, database selection and data optimization, see figure 1 , the Raman spectrum preprocessing method comprises the following steps:

[0030] 101: collect Raman spectra of various samples, and construct a Raman spectral database. The spectral matrix formed by the Raman spectral data contained in this database has low rank;

[0031] 102: Under the conditions of a preset integration time (set according to the needs of practical applications, which is not limited in the embodiment of the present invention), collect the original spectrum of the sample with the same composition;

[0032] Among them, since the integration time is too short, the signal-to-noise ratio of the collected Raman spectrum will be greatly reduced, so it can be used as the original spectrum to be processed.

[0033] 103: When the noise of the original spectru...

Embodiment 2

[0038] The embodiment of the present invention proposes a database-based Raman spectrum preprocessing method. Aiming at the limitations of traditional Raman spectrum preprocessing methods, a database-based low-rank spectrum optimization algorithm is proposed, which can greatly improve the signal quality of Raman spectrum. noise ratio, and can effectively shorten the acquisition time of Raman spectral data, combined with the attached figure 1 , detailed as follows:

[0039] 201: Collect Raman spectra of samples composed of limited kinds of mixed substances, screen them, classify them according to different spectral features, and construct different types of Raman spectral databases;

[0040] Among them, the spectral matrix formed by the Raman spectral data contained in this database has low rank.

[0041] 202: Under the short integration time condition, collect the Raman spectrum of the sample with the same composition as the original spectrum to be processed;

[0042] Since ...

Embodiment 3

[0061] Combined with the specific experimental data, figure 2 The scheme in embodiment 1 is further introduced, see the following description for details:

[0062] figure 2 Shown are the Raman spectra before and after pretreatment. The sample detected in the experiment is a mixture of three different substances. (a) and (b) are the original Raman spectra collected from the same sample, and the integration time is 0.01s and 10s, respectively. (c) is the Raman spectrum obtained after (a) is processed by this method, and its spectral characteristics are basically consistent with (b), the signal-to-noise ratio of spectrum (a) is 1.26, and the signal-to-noise ratio of spectrum (c) is 187.41 , the signal-to-noise ratio is increased by 148.79 times.

[0063] It can be seen from the results that this method can increase the signal-to-noise ratio of Raman spectroscopy by nearly 150 times, thereby reducing the requirements of Raman spectroscopy detection technology for the quality o...

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Abstract

The invention discloses a database-based Raman spectrum preprocessing method, which comprises the following steps: collecting Raman spectra of various samples and constructing a Raman spectral database, wherein a spectral matrix formed by Raman spectral data contained in the Raman spectral database is low-ranking; under certain preset integration time conditions, collecting original spectra of thesamples with the same components; when the noise of the original spectra exceeds a threshold, extracting appropriate spectral data from the Raman spectrum database to construct a temporary database,combining the original spectra and the temporary database into a spectral matrix, and using a low-rank spectral optimization algorithm to process the spectral matrix; extracting the Raman spectrum optimized by the algorithm and evaluating the noise of the Raman spectrum; if the noise does not exceed the threshold, obtaining the Raman spectrum of which the effect of the noise is eliminated and thesignal-to-noise ratio is satisfactory; otherwise, performing next iteration, and performing data optimization process again. The method effectively shortens the acquisition time of the spectral data and provides a broader application prospect for the Raman spectrum detection.

Description

technical field [0001] The invention relates to the technical field of Raman spectrum preprocessing, in particular to a database-based Raman spectrum preprocessing method. Background technique [0002] Raman spectroscopy is an important spectral detection technology based on the Raman scattering effect, which can realize the qualitative, quantitative and structural analysis of substances. It has the advantages of simple operation, fast analysis speed and high sensitivity. More importantly, Raman Spectroscopy does not require sample preparation, and can perform non-destructive testing on samples with high reliability. [0003] At present, the application range of Raman spectroscopy is very wide, including: chemistry, materials, food, medicine, biology, environmental protection, geological archaeology, gem identification and other fields. [0004] In the process of using Raman spectroscopy for material detection, the collected original Raman spectra are usually accompanied by...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N21/65
CPCG01N21/65
Inventor 李奇峰孙雪晴马翔云杜文芳吕海岳
Owner TIANJIN UNIV
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