Making diffraction data analysis and modelling easy

An intuitive and user-friendly application which integrates some crystallographic libraries such as CrysPy and CrysFML (experimental). Allowing for the simulation of diffraction patterns based on structural models and refinement against experimental data.

Version 0.9.1a0 (29 May 2024)

You can also build it from source.

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 and CrysFML (experimental), to cover different functionality.

Various techniques

Currently, we partially support constant wavelength (CW) 1D neutron and X-ray powder diffraction data. Time-of-flight (TOF), polarized neutrons, single-crystal, 2D, 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.

Documentation

Application

The EasyDiffraction application documentation is the place to see how to use EasyDiffraction graphical user interface.

Library

The EasyDiffraction library documentation covers everything related to using EasyDiffraction as a python library.

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).

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