A high-efficiency microfluidic chromatographic similarity analysis method and a method for calculating the influence degree
A technique for microfluidic chromatography and similarity analysis, which is applied in the fields of high-efficiency microfluidic chromatography similarity analysis and calculation of influence degree, and can solve problems such as lack of high-reliability calculation methods.
Active Publication Date: 2017-06-20
上海市计算技术研究所有限公司
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Problems solved by technology
[0005] However, the current existing technology has not yet combined the alignment steps, similarity calculation, influence calculation, etc. to form a complete technical solution, and the calculation method of influence is relatively simple and lacks a high-reliability calculation method
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[0036] The experimental environment of this example is: mobile phase: 0.02mol / L sodium dihydrogen phosphate diethylamine buffer solution + methanol (70:30); flow rate: 1mL / min; detection wavelength: 220nm; injection volume: 50μL; Temperature: 30°C; Chromatographic column: C18 (l50mm×4.6mm, particle size 5μm).
[0037] The concrete steps of this embodiment are:
[0038] 1. Select the data list from the data source; give the data source and the specific list. Similarly, specific values must be given for each step below.
[0039] 2. Select the peak to be aligned, the initial value is the last peak, and only one peak can be selected in each row;
[0040] 3. Based on the first data, perform the alignment operation:
[0041] T 1 : the response time of the aligned peaks in the first row;
[0042] T 2 : the response time of the current row aligned peak;
[0043] T x : the response time of the peak before alignment;
[0044] T y : the response time of the peak after alignme...
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The invention is a method for analyzing the similarity of high-efficiency microcurrent chromatography and calculating the degree of influence. The method includes: aligning the wave peaks on different atlases through an alignment step, and then calculating the similarity formula to obtain the relevant chromatogram According to the similarity value of each test substance, it is judged whether the test substance and the standard sample belong to the same substance according to the obtained value. Finally, the influence degree of each peak in the similarity calculation is calculated by the influence degree formula. The invention can effectively compare whether the detected substance and the standard sample belong to the same substance, and at the same time, it can also obtain the degree of influence of each peak in the same detected substance on the similarity calculation, thereby improving the analysis of high-efficiency microcurrent chromatography , The ability to identify samples.
Description
technical field [0001] The invention relates to the field of high-efficiency micro-current chromatography sample analysis, in particular to a method for analyzing the similarity of high-efficiency micro-current chromatography and calculating the degree of influence. Background technique [0002] High-efficiency microcurrent chromatography is a very important separation and analysis instrument. Its greatest role is to determine the name of the sample to be tested and analyze the composition of the sample to be tested. [0003] In order to enable high-efficiency microcurrent chromatography to accurately analyze the name of the sample to be tested, the current chromatographic analysis field often introduces the concept of similarity into the calculation module, such as Chinese patent CN 104007212. Due to the uncertainty of the instrument, the sample to be tested, the chromatographic column and the solvent, before performing the similarity calculation, it is often necessary to p...
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IPC IPC(8): G01N30/86
Inventor 张骏之徐圣翔王强荣
Owner 上海市计算技术研究所有限公司