X-ray Diffraction Data Analysis System

A data analysis system and ray diffraction technology, applied in the field of crystal structure analysis, can solve the problems of insufficient statistical analysis ability of a large amount of data, high operation cost of single sample processing, insufficient batch processing ability of tools, etc., to enrich visual analysis and enhance data. The effect of collecting capacity and reducing labor costs

Active Publication Date: 2021-07-13
SHENZHEN JINGTAI TECH CO LTD
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AI Technical Summary

Problems solved by technology

Therefore, the batch processing ability of the tool is insufficient, and the operation cost of single sample processing is high; the statistical analysis ability of a large amount of data is insufficient; the concurrent computing ability is insufficient

Method used

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  • X-ray Diffraction Data Analysis System

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Embodiment Construction

[0033] The specific technical solutions of the present invention are described in conjunction with the examples.

[0034] as attached figure 1 As shown, the X-ray diffraction data analysis system includes the following modules:

[0035] The format conversion module, based on the multiple styles of data sources, provides data format conversion of various raw data, including the following two types of data: one is molecular or crystal structure data, including suffixes cif, res, gjf, xyz and mol The second is powder diffraction data or peak data, including files with suffixes such as csv, txt, raw, braw, jip, bgr, pid, xye, and 3cam;

[0036] The data processing module performs functions such as denoising, removing background and background, and data identification on powder diffraction data, such as extracting powder diffraction data from non-text data sources, such as patents, pictures, etc.;

[0037] Data analysis module, which analyzes powder diffraction data, including fu...

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Abstract

The invention belongs to the field of crystal structure analysis, and specifically relates to an X-ray diffraction data analysis system, including a format conversion module, a data processing module, a data analysis module, a batch processing module, a calculation service module, a resource statistics service module, and a user authentication module. The X-ray diffraction data analysis system provided by the present invention can perform data processing in batches, and combines artificial intelligence technology to enhance data collection capabilities. It is a more efficient indexing method, rich visual analysis, and can effectively reduce labor costs.

Description

technical field [0001] The invention belongs to the analysis field of crystal structures, and in particular relates to an X-ray diffraction data analysis system, which improves the processing efficiency of X-ray diffraction data through batch processing, automatic execution and visual analysis. Background technique [0002] XRPD is commonly known as X-ray powder diffraction (XRPD). Usually used in the analysis of crystal structure. X-ray is a kind of electromagnetic wave, which produces a periodically changing electromagnetic field in the crystal when it is incident on the crystal. Cause the electrons and nuclei in the atom to vibrate, because the mass of the nucleus is very large and the vibration is negligible. The vibrating electrons are the wave source of the secondary X-rays, whose wavelength and phase are the same as the incident light. Based on the periodicity of the crystal structure, the scattered waves of the electrons in the crystal interfere with each other an...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N23/2005G01N23/20058
Inventor 王炎刘雪涛张万超雷焱森刘阳温书豪马健赖力鹏
Owner SHENZHEN JINGTAI TECH CO LTD
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