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.

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SCREENSHOT
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