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

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

Accelerated molecular crystal structure determination from powder diffraction data

Tools for XRD and CMWP analysis

A program for plotting powder diffraction patterns and background subtraction

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

GSAS-II Tutorial web pages & tutorial data

Powder X-ray diffraction Rietveld refinement using FullProf

Generic ML prediction of lattice parameters for PXRD

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

Research, CV, Resume

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

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

A Python CLI tool for quickly extracting refined parameters from Topas OUT files to CSV or Pandas DataFrames.