NUCLEAR TECHNIQUES, Volume. 48, Issue 2, 020101(2025)

Research and implementation of 2D X-ray diffraction data calibration

Bing GUO1、*, Shangming HE2, Jianbo MA2, Xiaoling WU1, and Fenggang BIAN2
Author Affiliations
  • 1Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
  • 2Shanghai Advanced Research Institute, Chinese Academy of Sciences, Shanghai 201204, China
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    Background

    Synchrotron radiation X-ray diffraction (XRD) is a powerful tool for material structure analysis, and it is commonly used in structural analysis, phase identification, etc. The X-ray diffraction data are often collected using two-dimensional detectors in Synchrotron Radiation Facility at present, but the experimental system cannot ensure the vertical geometric relationship between the X-ray and the detector area, resulting in systematic errors in the experimental data and impacting on subsequent data processing and analysis seriously. Although existing domestic and foreign software such as FIT2D, pyFAI calib2, Dioptas, SGTools, etc. provide calibration functions, there are still some shortcomings in operability and usability.

    Purpose

    This study aims to develop and implement an user-friendly software to calibrate 2D XRD detector experimental parameters through the standard sample independently.

    Methods

    A domestic software, named as Corona, was developed using Python and PyFAI library. The experimental geometric parameters were calibrated in Corona by making use of the Debye Scherrer ring of the standard powder sample. By comparing and testing with existing foreign software FIT2D and Dioptas, the accuracy and usability of Corona calibration parameters and data integration were verified.

    Results

    Verification results show that Corona can effectively achieve calibration detector parameters and data integration accurately with advantages of friendliness, convenience, and ease of user operation.

    Conclusions

    Corona proposed in this study provides effective tools to calibration 2D X-ray diffraction detector experimental parameters and data integration, but further improvement need to be implemented for expanding application.

    Keywords
    Tools

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    Bing GUO, Shangming HE, Jianbo MA, Xiaoling WU, Fenggang BIAN. Research and implementation of 2D X-ray diffraction data calibration[J]. NUCLEAR TECHNIQUES, 2025, 48(2): 020101

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    Paper Information

    Category: SYNCHROTRON RADIATION TECHNOLOGY AND APPLICATIONS

    Received: Dec. 19, 2023

    Accepted: --

    Published Online: Mar. 14, 2025

    The Author Email:

    DOI:10.11889/j.0253-3219.2025.hjs.48.230498

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