search site  |  contact us  HOME PRODUCTS DOWNLOADS SALES SUPPORT NEWS CrystalDiffract®   Introduction     Features     Gallery     Download     Sales   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, as shown here for the phases of ice. Real-Time Parameter Control CrystalDiffract lets you control all aspects of a diffraction experiment. You can start by choosing x-rays or neutrons, then specify wavelengths, selecting monochromatic or dual-wavelength radiation. You can pick a diffraction peak function, edit the instrumental peak broadening, sample strain and size effects (full version). 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 in two versions. With the free, Demonstration Version, you can: 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... System Requirements CrystalDiffract is available online with examples files, searchable online help, and detailed PDF user's guide with tutorial chapter. CrystalDiffract 5.1 for Mac OS X (Universal Binary) PowerPC- or Intel-based Mac Mac OS X 10.3.9 or later Minimum of 800 x 600 pixels resolution, with thousands or millions of colours CrystalDiffract 1.1 for Windows PC with Pentium II processor or better Microsoft Windows XP (Service Pack 2) or Windows Vista Minimum of 800 x 600 pixels resolution, with thousands or millions of colours Product Info and Ordering. Visit our Sales page to download standard and education price lists and a product brochure (Adobe PDF format). © 2008 CrystalMaker Software Limited. All rights reserved worldwide.