Mac and Windows versions share the same binary file format, and similar feature sets, making cross-platform working and collaboration easy!Įach version is designed, from the ground up, for its respective operating system, offering genuine operating system support and maximum performance – with no compromises. SingleCrystal is available in two separate versions, for Windows (XP/Vista/Windows 7), or for Mac OS X (Snow Leopard/Leopard/Tiger). You can also copy or export graphics and stereographic projections in either pixel- or vector-based formats. You can also export diffraction data listings and “Zone Axes” files – useful for indexing observed patterns.ĭiffraction patterns (including background pictures and measurements) can be printed at high resolution. SingleCrystal lets you save your work in a self-contained session file, ready for instant display next time you use the program. The cubic projection shows symmetry-related planes and their traces, which were automatically added by SingleCrystal. The triclinic stereogram shows the planes 100 and 010 in the zone, superimposed over a stereonet. Stereographic projections for a triclinic crystal (left) and a cubic crystal (right). SingleCrystal can even display symmetry-related poles and traces. The stereogram shows the angular positions of plane normals or lattice vectors (zone axes) plotted as poles and optionally as great circle traces – and is fully customizable. To help you navigate through diffraction space, you can take advantage of a live stereographic projection (“stereogram”) which can be displayed on the right-hand side of each diffraction window. With the Grid tool, auto-indexing is a breeze: just position the grid points over your observed pattern (TEM or Precession photos) and let SingleCrystal calculate the best-fit orientation and index your diffraction spots. Simulated patterns can be superimposed above observed patterns, for direct comparison. Use the translucent Ruler, Protractor and Grid tools to measure your pattern and copy the results to the clipboard. You can use SingleCrystal as a virtual lightbox: just drag-and-drop a diffraction image into any window, zoom in to examine fine details, move or rotate the image. You can edit lattice parameters and site occupancies – and opt to exclude certain sites from the diffraction calculation. You can colour-code your patterns by intensity, wavelength, or even phase angle.ĭiffraction- and structural data can be browsed and sorted on screen. SingleCrystal can label reflexions, show systematic absences, and lets you measure distances and angles between diffraction spots. Other controls allow you to change the scale (camera constant), saturation, sample thickness, wavelength and other parameters. Precise tilts can be entered, or you can define a view direction as a plane normal or lattice vector. SingleCrystal lets you rotate your (virtual) crystal in real time, by clicking-and-dragging with the mouse, clicking toolbar “tilt” controls, or using the keyboard. With CrystalMaker’s “Live Rotation Mode” enabled, rotating the crystal causes its diffraction pattern to rotate – and vice versa. The two programs can be linked, letting you view a crystal structure in one window, and its diffraction pattern in another. SingleCrystal is designed to work with CrystalMaker, reading from saved crystal files to simulate diffraction properties. Key diffraction techniques such as Laue, Precession & transmission electron diffraction are simulated, with real-time structure/diffraction rotation and control over sample thickness and instrumental parameters. SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun! SingleCrystal can simulate X-ray, neutron and electron diffraction patterns from single crystals, as well as being able to display reciprocal lattice sections and stereographic projections. Printing and copying through Xerox WorkCentre 7835įor further assistance or to report any issues within the lab, please consult the Report a Computer Lab Program service page or contact the Price Science Commons Library.From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction properties of crystals.CCDC Cambridge Structural Database 2021.SOMD GarageBand AppleLoops 2018 (required).You can find a list of baseline software that is installed here.The following software is available in this lab: General Software TVs in two of the open study/conference rooms.
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