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Method for identifying samples by utilizing chromatographic feature extraction

A chromatographic feature and sample technology, applied in the field of chromatographic analysis, can solve problems such as difficulty in chromatographic signal analysis, and achieve the effects of stable features, high accuracy, and fast computing speed

Active Publication Date: 2014-06-18
HUAZHONG UNIV OF SCI & TECH
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

It mainly solves the technical problem that the non-uniform drift of chromatograp

Method used

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  • Method for identifying samples by utilizing chromatographic feature extraction
  • Method for identifying samples by utilizing chromatographic feature extraction
  • Method for identifying samples by utilizing chromatographic feature extraction

Examples

Experimental program
Comparison scheme
Effect test

example 1

[0037] Example 1, Analysis of sample chromatographic peak drift

[0038] The first step: Chromatographic signal acquisition

[0039] Use a chromatograph to collect the chromatographic signal peak of the sample to be tested; then, change the external conditions (such as temperature, humidity or replacement of the chromatographic column) for chromatographic signal collection, and collect the chromatographic signal peak of the sample to be tested for the second time. See figure 1 , Showing the chromatographic signal diagram of the sample to be tested before and after changing external conditions. As shown in the figure, there are three signal peaks in the chromatographic signal collected for the first time, named A1, B1, and C1. Three signal peaks also appeared in the chromatographic signal collected for the second time, named A2, B2, and C2. It can be seen from the figure that due to changes in external conditions during the acquisition process, the chromatographic signal peak of t...

example 2

[0050] Example 2, Analysis of wine samples

[0051] Collect the chromatographic signals of the same liquor under different chromatographic column conditions, 10 for each. The chromatographic signal of the wine sample is collected, and the collected chromatographic peak drifts due to changes in external conditions during the collection process. See Figure 4 , Showing the chromatographic signal diagrams of wine samples under different external conditions. The denoising function wden provided by Matlab software is used to denoise the collected chromatographic signal. See Figure 5 , Showing the chromatographic signal graph of the wine sample after denoising. Use the function findpeaks provided by Matlab software to detect the peak of the chromatographic signal. See Image 6 , Showing a schematic diagram of the peak value of the chromatographic signal of a wine sample.

[0052] Obtain the characteristics of the chromatographic signal of the wine sample, including box characteristi...

example 3

[0055] Example 3, wine identification

[0056] See Figure 7 , Showing the chromatographic signal diagram of the same wine under different conditions. As shown in the figure, (a) and (b) are the chromatographic signals obtained by the same wine under different conditions, with chromatographic peak drift; (c) and (d) are the chromatographic signals obtained by the same wine under different conditions. There is also chromatographic peak drift (here c, d and a, b are two different types of wine). Collect 20 signals for each wine sample, and collect 80 chromatographic signal data. The other steps are the same as those in Examples 1 and 2, and will not be repeated here.

[0057] Take the 20 chromatographic signals corresponding to (a) and (c), find the average value of the chromatographic signals, respectively, calculate the distance between the 20 chromatographic signals corresponding to (b) and (d) and the two average values; if the distance If it is less than 5, it is judged as a...

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Abstract

The invention discloses a method for identifying samples by utilizing chromatographic feature extraction. The method comprises the following steps: utilizing a chromatographic instrument to collect a chromatographic signal of a sample; adopting a denoising function to denoise the collected chromatographic signal; extracting chromatographic features from the denoised chromatographic information, wherein the extracted chromatographic features contain curve box features, peak height, peak width, peak area and peak curvature; utilizing the extracted chromatographic features to analyze and identify the sample. The method has the advantages that the data size is small, the computing speed is high, the accurate rate is high, and the features are stable in a chromatographic feature extraction method; the extracted chromatographic features can be directly adopted for statistical analysis and modeling.

Description

Technical field [0001] The invention belongs to a chromatographic analysis method, and specifically relates to a method for identifying a sample by using chromatographic feature extraction. Background technique [0002] Chromatographs are widely used in petroleum, chemical industry, biochemistry, medicine and health, food industry, environmental protection, etc. Chromatographic analysis is mainly qualitative and quantitative. Qualitative analysis is to analyze the components contained in a sample through chromatography. Quantitative analysis needs to configure standard solutions of different concentrations, and then detect the concentration of the substance by establishing a linear relationship model between the concentration and the peak area of ​​the substance. However, due to temperature, humidity, improper operation or replacement of chromatographic columns during the process of collecting chromatographic signals, the collected chromatographic signals often exhibit peak non...

Claims

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Application Information

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IPC IPC(8): G01N30/00
Inventor 尤新革曾武徐端全牟怿王同晖周龙
Owner HUAZHONG UNIV OF SCI & TECH
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