Making diffraction data analysis and modelling easy

An intuitive and user-friendly application which integrates multiple popular crystallographic libraries such as CrysPy, CrysFML and GSAS-II. Allowing for the simulation of diffraction patterns based on structural models and refinement against experimental data.

Version 0.8.1-beta (8 Jun 2021)

Features

Free and open-source

Anyone is free to use easyDiffraction and the source code is openly shared on GitHub.

Cross-platform

easyDiffraction works across operating systems: macOS, Windows, or Linux.

Easy to use

Intuitive tabbed interface with a clear workflow, built-in step-by-step user guides and video tutorials help speed up data modelling and analysis.

Everything is included

easyDiffraction is distributed as an all-in-one package that includes all the dependencies and can be installed with only a few clicks.

Multi-functional

easyDiffraction integrates existing crystallographic libraries, such as CrysPy, CrysFML (experimental) and GSAS-II (experimental), to cover different functionality.

Various techniques

We started with 1D neutron powder diffraction at constant wavelength. Single-crystal, 2D, Time-of-Flight, and so on, will be added later.

Live update of calculations

You can modify any parameter manually or with a sidebar slider, and the simulated model curve is automatically recalculated in real time.

Human-readable syntax

Input/output files are in simple and human-readable data format STAR/CIF with the specifications of International Union of Crystallography, where possible.

Get in touch

General questions

For general questions or comments, please contact us at support@easydiffraction.org, or fill out the form.

Issues and new features

For bug reports and feature requests, please use GitHub Issue Tracker instead (free registration required).