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 0.8.2-beta (5 Oct 2021)
Anyone is free to use easyDiffraction and the source code is openly shared on GitHub.
easyDiffraction works across operating systems: macOS, Windows, or Linux.
Intuitive tabbed interface with a clear workflow, built-in step-by-step user guides and video tutorials help speed up data modelling and analysis.
easyDiffraction is distributed as an all-in-one package that includes all the dependencies and can be installed with only a few clicks.
easyDiffraction integrates existing crystallographic libraries, such as CrysPy, CrysFML (experimental) and GSAS-II (experimental), to cover different functionality.
Currently, we support constant wavelength (CW) and time-of-flight (TOF) 1D neutron powder diffraction data. Single-crystal, 2D, and so on, will be added later.
You can modify any parameter manually or with a sidebar slider, and the simulated model curve is automatically recalculated in real time.
Input/output files are in simple and human-readable data format STAR/CIF with the specifications of International Union of Crystallography, where possible.