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CrystalDiffract free download for Mac


Version 6.8.3

Manipulate X-ray and neutron-powder diffraction patterns.

CrystalDiffract overview

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

  • 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.

What’s new in version 6.8.3

Updated on Nov 21 2019

Version 6.8.3:
Label Button:
  • The default toolbar layout now includes a button to toggle labelling on or off.
Miscellaneous Changes:
  • This includes miscellanous enhancements and fixes.
  • This version now recognises the new "e-glide" convention, as used in space groups 39, 41, 64, 67 and 68.
  • The "View" menu has been relocated, to bring it into line with our other Mac software.
  • CMDX documents without any crystals now generate an error, rather than a blank document.
  • Massive CIFs are now much faster to import.
  • A drag-and-drop highlight is now shown more clearly in the Diffraction pane.
  • Removed the "Share" item from the File menu (which had been automatically added by the system).
  • The File > Export submenu has been replaced by three separate submenus for exporting Graphics, Diffraction or Crystal structure data. This brings the interface into line with our other Mac software.





38.6 MB



App requirements

  • Intel 64
  • OS X 10.10 or later
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Sep 28 2004
Sep 28 2004
Version: 4.1.3
Wow.. braniac-ware. I have no idea what this is used for. Keep up the good work.
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