The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates diffraction patterns and 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.
Official repository for CrystalX, a geometric deep learning system for routine single-crystal structure analysis.
LiquidDiffract is a GUI program to process experimental X-ray diffraction data of liquids/amorphous solids.
MATLAB Code to Simulate Basic XRD Patterns
Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries
PDIndexer is a powder X-ray / neutron diffraction analysis tool: it displays diffraction profiles, overlays the calculated diffraction lines of known crystals, fits peaks to refine lattice constants, and estimates pressure from the equations of state of standard materials.
IPAnalyzer converts Debye-Scherrer ring images from imaging plates and flat-panel detectors into 1D diffraction profiles, calibrates the measurement geometry, and works with PDIndexer.
Iterative Projection Algorithms for protein crystallography
Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.
A genetic algorithm for powder refinement focused on matching peak positions and unit cell parameters.
Learning neural representations for X-ray ptychography reconstruction with unknown probes
Forward simulation model scripts for laboratory X-ray diffraction contrast tomography (LabDCT)
Bruker's TOPAS X-ray diffraction calculations parser
Peak Area Detection Network for Directly Learning Phase Regions from Raw X-ray Diffraction Patterns.
X-Ray Reflectivity Simulator
sloth: slowly evolving utilities for x-ray spectroscopists
MR-BCDI: Differentiable multi-reflection Bragg coherent diffraction imaging for lattice distortion fields in crystals
Python and MATLAB versions of a simple module to generate 3D reciprocal space maps.
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