This repository provides the open-source user interface for PyXplore, a Python toolkit designed for whole-pattern expectation maximization (WPEM). It supports X-ray diffraction (XRD) simulation, analysis, and AI-driven structure refinement.
The official WPEM/PyXplore repository is available here: https://github.com/Bin-Cao/PyWPEM
A locally runnable, single-file HTML interface (English) for the core PyXplore/WPEM pipeline. No installation or backend required — open directly in any modern browser.
Features:
- Background Processing — configure and generate a complete
WPEM.BackgroundFitPython script with parameterslowAngleRange,poly_n,bac_split, andbac_num; robust file validation with 2θ range checks and a live data preview - Lattice Constant Refinement — step-by-step panels for CIF preprocessing (
WPEM.CIFpreprocess), X-ray source wavelength selection (Cu/Mo/Co Kα presets or custom), crystal-system-aware lattice parameter constraints, and fullWPEM.XRDfitparameter configuration - One-click generation of a complete, copy-pasteable Python script covering the full pipeline:
BackgroundFit → CIFpreprocess → XRDfit
Identical to RefineUI.html in functionality, with all user-facing text, parameter descriptions, tooltips, validation messages, and generated Python code comments fully localized into Simplified Chinese (简体中文). All Python API identifiers, HTML element IDs, and JavaScript logic remain unchanged.
适用场景: 适合中文用户直接使用,无需任何安装,在浏览器中本地运行即可操作完整的 XRD 背底处理与晶格常数精修流程。
- ... (under development)
Developed by Bin Cao. Contributions are welcome, and I warmly invite collaborators to participate in further development.