curve fitting (peak fitting) software

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

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

Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials

Qt6 PySide6 based GUI for the HEXRD library.

Set of scripts for working with Topas

A versatile and interactive package for solving crystal structures from powder diffraction data

Accelerated molecular crystal structure determination from powder diffraction data

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

R package: wrapper for the C++ library `xylib`

Powder X-ray diffraction Rietveld refinement using FullProf.

Tools for XRD and CMWP analysis

A program for plotting powder diffraction patterns and background subtraction

GSAS-II Tutorial web pages & tutorial data

Generic ML prediction of lattice parameters for PXRD

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

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.

Research, CV, Resume

A Program for the Calculation of Effective One-Particle Potentials (OPPs)

Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app