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CrystalDiffract® Introduction Features Gallery Download Sales |
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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.
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:
System Requirements
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© 2008 CrystalMaker Software Limited. All rights reserved worldwide. |
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