ePDFpy: A Python-based interactive GUI tool for electron pair distribution function analysis of amorphous materials

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.

ePDFpy是一款具备图形用户界面（GUI）的交互式分析软件，旨在处理透射电子显微镜（TEM）衍射图案的电子对分布函数（PDF）分析，以识别非晶材料的局部原子结构。该程序提供基于Python的友好用户界面，为PDF分析提供直观且灵活的工作流程。通过实施多种优化和拟合过程，包括衍射数据的中心拟合和椭圆形校正，以精确减少电子衍射数据。此外，程序还具备改进的参数估计功能，以提升拟合效率，并辅以交互式GUI。ePDFpy将免费供学术用途分发，并包含额外的功能，例如光束掩模绘制模块。