CrystalDiffract

CrystalDiffract is a program for understanding and visualizing x-ray and neutron powder diffraction patterns from crystals.

Features

• Diffraction on your Desktop. CrystalDiffract reads from CrystalMaker files,and simulates powder diffraction patterns - fast. Multiple patterns can be displayed in the same window, as films or graphs, then manipulated, measured, indexed and printed.Detailed listings of intensities, structure factors and other data can be generated as text files.
• Real-Time Parameter Control. CrystalDiffract gives you full control over all aspects of the diffraction experiment, including radiation type,wavelength, peak profiles, baseline parameters and more. The Parameters List lets you adjust individual settings in real time, simply by clicking-and-dragging a slider control. You can simulate the effects of particle size/strain effects and induce structural changes in your sample, for example, editing site occupancies, unit cell parameters.
• Ideal for Understanding Real Diffraction! CrystalDiffract lets you combine simulated data for ideal crystals, with real diffraction data. You can analyse phase purity, visualize diffraction from multi-phase mixtures, as well as working with the new diffraction techniques such as energy-dispersive and time-of-flight diffraction.

The quoted price is that of a standard personal license. Full pricing information can be found here.