Crystallographic resources

Dans_Diffraction

Entered: Mon Jun 22 2020

Operating systems: Linux; MacOS; MS Windows

Type: Binary; Source

Languages: Python

Distribution: Free

Application fields: Crystal chemistry; Data analysis; Diffraction; Powder; Scattering; Structure; Symmetry

Bibliography:

Description: Python package that reads crystal structures from CIFs and simulates diffraction patterns. Data are included for calculation of x-ray and neutron structure factors. Single crystal and powder plots can be generated quickly and easily by either a basic GUI or a command line approach. On the command line, a crystal Object is created with structure properties imported from the CIF, which are editable. The object has many useful attributes including plotting and scattering simulations. Dans_Diffraction is available from PyPi: pip install Dans_Diffraction or Github: git clone https://github.com/DanPorter/Dans_Diffraction.git

References: https://github.com/DanPorter/Dans_Diffraction



Last updated: 15 Oct 2021