The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.

A cross-platform, open-source library for the analysis of X-ray diffraction data.

Qt6 PySide6 based GUI for the HEXRD library.

LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.

MATLAB Code to Simulate Basic XRD Patterns

Iterative Projection Algorithms for protein crystallography

A genetic algorithm for powder refinement focused on matching peak positions and unit cell parameters.

Bruker's TOPAS X-ray diffraction calculations parser

Peak Area Detection Network for Directly Learning Phase Regions from Raw X-ray Diffraction Patterns.

Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries

sloth: slowly evolving utilities for x-ray spectroscopists

X-Ray Reflectivity Simulator

An AI to predict critical events (cracks, fatigue) in a strained polycrystal from high-energy x-ray diffraction microscopy (HEDM) data, trained on simulated diffraction from crystal plasticity finite element (CPFE) simulations.

Scripts to convert data between some X-ray diffraction and Rietvield refinement file formats.

MR-BCDI: Differentiable multi-reflection Bragg coherent diffraction imaging for lattice distortion fields in crystals

Forward simulation model scripts for laboratory X-ray diffraction contrast tomography (LabDCT)

Python and MATLAB versions of a simple module to generate 3D reciprocal space maps.

FullProf VSCode bring support to Visual Studio Code for FullProf pcr files.

This script simulates the Laue transmission image for arbitrary lattice geometries.

A GUI Front-end to CarbonXS