PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar structures.

A Python package build to analyze powder XRD (and XRD) data. The only known open-source Github project with a Rietveld refinement method in development.

XRay Estimation and Refinement Using Similarity (XERUS)

Tools for simulating x-ray diffraction. Detailed documentation is found at the below link.

Tools for exploring reciprocal space

Image reconstruction from a diffraction pattern

ImageD11 is a python code for identifying individual grains in spotty area detector X-ray diffraction images.

This repository holds Python scripts used for day-to-day data analysis required by my graduate degree.

X-ray scattering simulator based on 3D fourier transform to accurately capture effects from paracrystallinity and orientational disorder. Inputs are .xyz or .pdb files (usually snapshots from molecular dynamics)

Normalising flows for Inverse Problems is a framework providing all means for data-driven solutions to inverse (imaging) problems.

Software for scanning Laue diffraction analysis

Useful scripts for analyzing diffraction

Python functions for reading refinement data from Jana2006

A framework for scientific algorithms targeting X-ray scattering

📡🧬 sig2dna: Symbolic transformation of analytical signals into a DNA-like code for signal alignment and classification, blind source separation, pattern recognition, and more.

This is the main repo for the CXLS hit finder model.

Read, write, and manipulate diffraction images that use the MarCCD format

A command-line interface (CLI) tool for rapid preliminary analysis of powder X-ray Diffraction (XRD) data. This tool is designed for quick initial screening of synthesized materials and provides essential XRD analysis capabilities.

A collection of pure python functions for performing area detector corrections

Tools for experiment planning in NanoMAX beam line at MAX IV