CrystalDiffract7.2.6

CrystalDiffract lets users simulate and analyze X-ray and neutron powder-diffraction patterns on a Mac, helping them interpret experimental measurements and investigate crystalline materials. Real-time controls for diffraction and sample parameters update the display immediately, while dynamic mixture controls show how different phases contribute to a pattern.

Its Phase ID command locates the strongest peak positions and relative intensities in an unknown pattern, compares them with an internal archive of more than 500,000 diffraction patterns, and presents the closest matches. Users can import XRDML data files, identify phases in real samples, and examine mixtures through the program’s powder-diffraction workflow.

For quantitative analysis, the Refine inspector performs multi-phase Rietveld refinement against a starting structure, calculates each component’s weight fraction, and exposes peak-profile, plot-range, and structural parameters for refinement. A purpose-built refinement engine uses modern multi-core processors, while a floating Chi-Squared value provides feedback during the calculation.

The current 7.2.6 release adds colour film strips, a new file format with preview support, Mac Quick Look plugins, and Liquid Glass support for macOS 26. CrystalDiffract runs natively on Apple Silicon as well as Intel Macs and is freeware in the Education category, serving students, instructors, and crystallography users working with experimental powder data.