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
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[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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