Your Desktop Diffractometer
Powder Diffraction Made Easy

CrystalDiffract is designed to make powder diffraction intuitive, interactive and perhaps even fun...

CrystalDiffract works with CrystalMaker, reading from saved crystal files to simulate and display powder diffraction patterns on screen. You can drag-and-drop a crystal file into CrystalDiffract, or use CrystalMaker's Transform > Diffraction Pattern > Powder command to obtain a diffraction pattern for any displayed crystal structure.

Diffraction patterns can be displayed as traditional greyscale "films", or as diffractometer traces (graphs of intensity versus two-theta, d-spacing, 1/d, time-of-flight or energy). Tools allow you to measure peak positions, intensities, and their Miller indices. You can precisely scroll the diffraction pattern, or select a plot range and zoom. Other tool buttons provide scaling functions, as well as x and y-axis offsets.

The Structures Drawer lets you quickly organize and browse multiple diffraction patterns, including simulated and observed datasets.

As Easy as Drag-and-Drop. You can drag-and-drop a large number of CrystalMaker files into a window's Structures List, and then quickly browse individual diffraction patterns by selecting entries from the list. This is invaluable when trying to identify an unknown phase.

Simulating a phase transition from tetragonal (blue graph) to orthorhombic (red). Unit cell parameters can be edited on-the-fly to see how peak splittings change.

You can display multiple diffraction patterns - simulated and observed - in the same window.

Real-Time Parameter Control. CrystalDiffract lets you control all aspects of a diffraction experiment. Choose x-rays or neutrons, specify wavelengths (monochromatic or dual-wavelength) and peak function, edit the instrumental peak broadening, sample strain and size effects...

You can also edit site occupancies - perhaps to investigate the effects of structural disorder on a diffraction pattern - and even exclude selected sites from the diffraction calculation.

Free Demonstration Version. CrystalDiffract is available online with examples files, searchable online help, and detailed PDF user's guide with tutorial chapter.

• Calculate diffraction patterns for any crystal
• Simulate x-ray or neutron diffraction
• Visualize diffraction as films or graphs
• Measure and index a diffraction profile
• Interactively edit structural and other data

The demonstration version can be unlocked, via a licence code, to reveal the full-feature version. This includes the ability to visualize multiple diffraction patterns in the same window, simulate multi-phase mixtures, time-of-flight and energy-dispersive diffraction, compare observed experimental data with simulated data, and much more...

Cross Platform. CrystalDiffract is available in two separate versions, for Windows (XP/Vista), or for Mac OS X (Leopard/Tiger).

Mac and Windows versions share the same binary file format, and similar feature sets, making cross-platform working and collaboration easy!

Each version is designed, from the ground up, for its respective operating system, offering genuine operating system support and maximum performance - with no compromises.

Pricing & Ordering: Please visit our Sales page for detailed information about licensing, education & standard pricing, downloadable price lists/order forms - plus online ordering.