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Crystallographic Computing System JANA2006: General features

V. Petřı́čekFZU ‒ Institute of Physics of the Academy of Sciences of the Czech RepublicMichal DušekInstitute of Physics, Academy of Sciences of the Czech Republic, v.v.i., Na Slovance 2, 180 40 Praha 8, Czech RepublicLukáš PalatinusInstitute of Physics, Academy of Sciences of the Czech Republic, v.v.i., Na Slovance 2, 180 40 Praha 8, Czech Republic
2014en
ABI

Аннотация

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.

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