Development of specialized software for data analysis was completed

Bourevestnik, JSC completed the development of specialized software for analysis of data measured on diffractometers DRON-8(8T) and DRON-7(7M), as well as on the previously produced models DRON-6 and DRON-4 in 2020.

The main functional capabilities of the program provided to the user during phase analysis of polycrystalline materials:

• search and selection of structural data according to the set criteria;
• downloading of structural data files in *.cif format with possibility to view and edit parameters used in calculation;
• calculation of powder X-ray radiogram according to the downloaded data in the specified angular range and for the specified wavelength, including duplets and singletons;
• calculation of X-ray radiographs of mixtures with specified concentrations of components and with specified crystallite size for each component, as well as taking into account the preferential orientation of particles in a given crystallographic direction;
• built-in database of calculated radiographs of standards (more than 20 thousand);;
• organization of user subbases of calculated radiographs, both from the standards of the main database and directly from the COD database;
• selection of standards from the built-in database for the specified set of chemical elements;
• graphical visualization of measured data, comparison of experimental and calculated spectra;
• intensity scaling function and background subtraction for the experimental data when compared to the calculated X-ray image;
• qualitative phase analysis of samples;
• setting the required search criteria (limitation by elemental or mineral composition, limitation by angular position error and/or by the number of coincident lines, auto-selection of the best solution, fixing of found solutions with the possibility of their exclusion from further search in case of a large number of mixture components);
• quantitative phase analysis, including when one or more components have texture;
• refinement of unit cell parameters and texture coefficients individually for each component in the analyzed mixture (if necessary) to obtain the best result;
• setting the refinement range of the PEJA;
• report generation with one button;
• bilingual interface, built-in bilingual help system and tooltips.