DOI: 10.1515/zkri-2014-1737 ISSN:
Crystallographic Computing System JANA2006: General features
Václav Petříček, Michal Dušek, Lukáš Palatinus- Inorganic Chemistry
- Condensed Matter Physics
- General Materials Science
Abstract
JANA2006 is a freely available program for structure determination of standard, modulated and magnetic samples based on X-ray or neutron single crystal/ powder diffraction or on electron diffraction. The system has been developed for 30 years from specialized tool for refinement of modulated structures to a universal program covering standard as well as advanced crystallography. The aim of this article is to describe the basic features of JANA2006 and explain its scope and philosophy. It will also serve as a basis for future publications detailing tools and methods of JANA.