Powder Diffraction Python Packages

xrd-rust

Calculate powder XRD patterns based on XRDCalculator in pymatgen, but using Rust for certain parts, making it about > 10x faster.

xylib-py

library for reading files with x-y data from powder diffraction, spectroscopy, or other experimental methods

xylib-py-wheels

library for reading files with x-y data from powder diffraction, spectroscopy, or other experimental methods

xrdpattern

Python library for XrdPatterns including file import, file export and postprocessing functionalities

topas-tools

Set of scripts for working with Topas

xpdlines

A program for plotting powder diffraction patterns and background subtraction