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Refining powder diffraction data with "CrystalDiffract"

Refinement of powder diffraction data using the Rietveld method "CrystalDiffract"

The long-awaited Rietveld refinement feature for powder diffraction data has been implemented in CrystalDiffract 7. Observed powder diffraction data can be read in xy data format or Rigaku ASC format, and refined using the Rietveld method based on an initial structure. The initial structure used as a reference for the Rietveld method can be selected from approximately 1,000 libraries included in CrystalDiffract or imported from an external CIF file. Additionally, diffraction patterns of mixtures consisting of multiple phases can also be refined while calculating the weight fractions of each component. CrystalDiffract is a self-contained powder diffraction program. It is equipped with optimal graphing tools, advanced simulations, interactive real-time parameter control, and intuitive measurement functions all in one program. The new features include not only Rietveld refinement but also automatic background removal, phase identification, and various other functions that assist in data analysis in the fields of crystallography and materials science.