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. Other controls allow you to change the scale (camera constant), saturation, sample thickness, wavelength and other parameters.From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction properties of crystals. 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.
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.
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. SingleCrystal is an elegant program designed to make the world of diffraction, reciprocal lattices and stereographic projections intuitive, interactive and fun!
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SingleCrystal for Windows 10 - Full description
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