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Chromatogram purification method

A purification method and chromatogram technology, applied in the direction of measuring devices, instruments, scientific instruments, etc., can solve problems that affect qualitative analysis results, spectral peak overlap, etc.

Inactive Publication Date: 2015-04-08
TIANJIN UNIV
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  • Application Information

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Problems solved by technology

Moreover, if the measured mixture sample contains components with close retention times, the peaks in the total ion chromatogram will overlap, and the mass spectrum of one component will introduce interference from other component ions, which will eventually affect the results of qualitative analysis.

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Embodiment Construction

[0016] The present invention first expresses the chromatographic raw data with an R×N matrix S, each row of the matrix S represents the mass spectrum data obtained in each scan, and each column of the matrix S represents the mass chromatographic data corresponding to a certain mass number.

[0017] The present invention adopts a differential method to process the chromatogram, which mainly includes two steps. First, the mass spectrum data of the adjacent scans of the chromatographic data matrix is ​​subtracted, that is, the corresponding values ​​of two adjacent rows of the matrix S are subtracted, and the difference obtained is The positive and negative are stored in two data sets U and V, where the matrix V stores the absolute value of the negative difference.

[0018] U = u 11 u 12 . . . u 1 N u twenty one u twenty two . . . u 2 N . . . . . . . . . . . . u...

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Abstract

The invention provides a chromatographic data purification method. The method comprises the following steps: indicating original chromatographic data in a matrix mode; subtracting adjacent scanned mass spectrums in the matrix, and respectively saving absolute values of positive values and negative values in independent data sets; respectively displacing two data sets obtained by subtraction, and adding once more to form a matrix; acquiring a relatively pure chromatographic data matrix by utilizing the newly synthesized matrix; repeating the steps for multiple times to obtain a pure chromatographic data matrix; and generating new chromatographic data with improved resolution. The method can be used for improving the resolution of the chromatogram.

Description

Technical field [0001] The invention relates to a chromatographic processing technology. Background technique [0002] In an ideal chromatogram, the chromatographic peak of each component should be in the form of a bar graph, but since each component moves in the chromatographic column and occupies a certain space, the actual chromatographic peak of each component has a certain width . Moreover, if the measured mixture sample contains components with close retention times, the peaks of the spectrum in the total ion chromatogram will overlap, and the mass spectrum of one component will introduce interference from other component ions, which will ultimately affect the results of qualitative analysis. In order to reduce the peak width of the chromatographic peak and improve the resolution of the chromatogram, the present invention proposes a chromatogram purification method based on difference. Summary of the invention [0003] The purpose of the present invention is to provide a c...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/86
Inventor 赵学玒汪曣杜康蒋学慧孙传强宋爽王博
Owner TIANJIN UNIV