Home for GSAS-II: crystallographic and diffraction-based structural characterization of materials
A cross-platform, open-source library for the analysis of X-ray diffraction data.
Qt6 PySide6 based GUI for the HEXRD library.
Set of scripts for working with Topas
Accelerated molecular crystal structure determination from powder diffraction data
Scripts for building GSAS-II conda packages & binaries and dist location for downloading binaries
A program for plotting powder diffraction patterns and background subtraction
Generic ML prediction of lattice parameters for PXRD
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.
Online calculator of partial radial distribution function (PRDF), global RDF, and XRD/ND patterns for crystal structures.
A Program for the Calculation of Effective One-Particle Potentials (OPPs)
Estimate crystallographic volumes. Web app hosted here: https://hofcalc.streamlit.app
Gives the optimal estimated dilution for a absorbing crystalline cappilary powder sample
A Python CLI tool for quickly extracting refined parameters from Topas OUT files to CSV or Pandas DataFrames.
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.
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