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ePDFpy: A Python-based interactive GUI tool for electron pair distribution function analysis of amorphous materials *,**
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DOI：10.1016/j.cpc.2024.109137.png)
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Abstract
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ePDFpy is an interactive analysis program with a graphical user interface (GUI), designed to process the electron Pair Distribution Function (PDF) analysis of diffraction patterns from Transmission Electron Microscope (TEM), to identify the local atomic structure of amorphous materials. The program offers a user-friendly Python -based interface, providing a straightforward and adaptable workflow for PDF analysis. Various optimization and fitting processes were implemented to accurately reduce the electron diffraction data, including center -fitting and elliptical correction of diffraction data. An improved parameter -estimation feature is available to enhance the efficiency of the fitting process, along with an interactive GUI. ePDFpy will be freely distributed for academic purposes, with additional features, including a beam mask drawing module.
Keywords:
ePDFpy
Amorphous material
Electron diffraction pattern
Electron pair distribution function
Short range order
Transmission electron microscope
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