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DESCRIPTION

SingleCrystal is an elegant, easy-to-use program for visualizing and understanding diffraction patterns from single crystals.

SingleCrystal lets you simulate simulation electron diffraction patterns and reciprocal lattice sections - which can be compared directly with observed data. The program also lets you display stereographic projections of planes, traces, zones and zone axes. You can rotate crystals with the mouse, or tilt controls, and observe how the diffraction pattern changes. Screen tools allow easy measurement and indexing of reflexions, as well as the display of phase information for scattered beams.

SingleCrystal is designed to work with CrystalMaker, allowing users to visualize crystal structures then with a single menu command, display the diffraction pattern in SingleCrystal. The program can also be used as a stand-alone application, reading from CrystalMaker "crystal" files.

WHAT'S NEW
Version 1.5.2:
  • Intensity calculation for centrosymmetric structures. This version fixes a bug which caused some reflexions to be marked as "forbidden" for certain structures. The structures affected were those with centrosymmetric structures, and the errant reflexions were those whose structure factors had negative real components.

  • Miscellaneous Changes. This version includes miscellaneous improvements and bug fixes:

    • Improved Weighted Reciprocal Lattice display: systematic absences are now shown with a smaller marker size, to match that used in other display modes.
    • Minor changes have been made to the User's Guide and online help files for this release.
REQUIREMENTS
Mac OS X 10.4 or later, You will need CrystalMaker if you wish to simulate diffraction patterns from your own structures.


SCREENSHOT

Developer:CrystalMaker Software Ltd
Downloads:4,030
  - Version d/l:157
Education:Science
License:Demo
Date:20 Feb 2009
Platform:PPC/Intel
Price:$125.00
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