The new Jana2020 is a natural successor to the previous version of the Jana2006 program [1], which was used to solve regular, modulated, and magnetic structures. The most important changes include a major improvement in the graphical interface, which allows the user full control of the individual steps of the solution and specification of crystal structures. Current changes in the structure can be monitored either in the mode of displaying the crystal structure, or by comparison of the measured and calculated profile from the powder data.
Since the formation of modulated and magnetic phases is very often associated with phase transitions, the procedure for detecting the coexistence of more independently diffracting domains has been significantly improved in the new version. In some cases, during the test of the space and superspace group, we receive incorrect information about the symmetry of the crystal, but also about its actual translational symmetry [2]. Therefore, the procedure was supplemented by an analysis of possible domain overlap.
Another significant improvement of the program is the ability to perform a series of structure refinements the system of data measured under different conditions (temperature, pressure, time). After solving and specifying the initial structure, automatic refinement takes place on all blocks of measured data. The procedure is supplemented by a graphical display of changes in advanced parameters.
The authors are grateful to the Czech Science Foundation, project No. 18-10504S.