|
search site | contact us | |||||||||||
|
||||||||||||
 | ||||||||||||
|
SingleCrystal™ 1.0 for Windows XP / Vista Explore Diffraction Space & Stereographic Projections |
||||
2 January 2007. CrystalMaker Software Ltd is delighted to announce the launch and immediate availability of SingleCrystal version 1.0 for Windows: software to simulate and manipulate diffraction patterns from single crystals, with powerful stereographic projection capabilities. Simultaneously, the launch of a major new Mac version, SingleCrystal 1.3 for Mac (Universal Binary) is announced. Update - 22 February 2007. SingleCrystal 1.0.1 for Windows XP/Vista is launched as a free update to registered users, providing full compatibility with Microsoft's new Windows Vista operating system, as well as backwards compatibility with Windows XP (Service Pack 2). |
||||
|
Built for Windows XP/Vista SingleCrystal 1.0 is an all-new application, built from scratch for Microsoft Windows XP/Vista. The application is designed to support the latest features of Windows, without the restrictions of legacy system support. Featuring all the major functionality of its Mac counterpart (currently at version 1.3 for Mac OS X), the new program can display reciprocal lattice sections and simulate electron diffraction patterns for any crystal structure, with control over wavelength (electron voltage), crystal thickness, spot size, intensity saturation (beam current) etc. SingleCrystal provides an ideal way of characterizing the results of real-life diffraction experiments. Users can drag-and-drop an image of real diffraction pattern into the program's diffraction window, to be used as a "background picture", with a simulated pattern displayed as an overlay. Interactive Control The program lets users rotate, scale and saturate diffraction patterns interactively, using the mouse, with additional toolbar buttons available for controlled rotation, scaling labelling and setting view directions. Distances and angles can be measured directly on the screen, and individual diffraction spots selected for more detailed information on their properties. Uniquely, the phases of diffracted beams can be displayed - colour coded, for easy identification. Stereographic Projections SingleCrystal lets you plot lattice vectors (zone axes) and their traces (zones), in addition to plane normals and their traces. Poles and/or traces can be edited individually, with control over the display of labels and whether to plot a pole, a trace, or both. A new, global option, has been added to label poles in the south hemisphere. |
|||
|
You can now display plane normals, their traces, zone axes and zones.
The left-hand stereogram is for a triclinic crystal
and shows poles for (100) and (010) lying in the
[001] zone.
The right-hand stereogram illustrates the new symmetry-relations feature. A cubic crystal is plotted with poles of the form {100}, {110} and {111}, in red, green and blue, respectively. |
A key feature is the ability to display and edit symmetry-related planes and vectors. You need only specify the indices of the first plane or vector, then check the Other changes include the ability to selectively hide individual, or symmetry-related poles, so as to simplify the display without losing valuable data. Stereogram settings can also be saved, thanks to a new Preferences pane. Graphics Export You can copy diffraction patterns or stereographic projections to the clipboard. You also have the option of exporting graphics to graphics files in either vector, or pixel format. Pixel graphics can exported in a range of formats, including JPEG, TIFF, PNG and BMP. Diffraction Data Export You can export diffraction data as a detailed listing of hkl values, d-spacings, intensities, real- and imaginary parts of the structure factor and phase angles. You can opt to have the output sorted by d-spacing, intensity or hkl. An Aid for Indexing Real Patterns SingleCrystal for Windows (and the new version 1.3 for Mac) can now generate a listing of zone axis data for a structure, which can serve as a useful aid when indexing an unknown orientation. The resulting "Zone Axis" file contains all zone axes, up to a defined [UVW] limit. For each zone axis, the three shortest reciprocal lattice vectors are given, with their d-spacings, reciprocal d-spacings, angles and length ratios. When indexing an unknown orientation, simply measure the three shortest distances and note their angles. You can now refer to the Zone Axis data file, scanning through the listed zone axes until a close match is found. (This is most effective when relatively closely-spaced reflexions are being considered - these relate to large d-spacings in direct space.) Free Demo Version SingleCrystal initially operates in a free Demonstration mode. The full-feature version - which includes high-resolution printing, background pictures, graphics copying/export plus much more - can be unlocked by entering a paid-for licence code.
|
|||
|
© 2008 CrystalMaker Software Limited. All rights reserved worldwide. |
||||