The full-feature version of SingleCrystal provides a wide range of powerful and versatile tools with superb ease-of-use and elegant interface design.

If you ever work with single-crystal diffraction, you'll find SingleCrystal invaluable for data analysis - and especially for indexing diffraction spots. The ability to superimpose a simulated pattern directly above an image of a real diffraction pattern, makes indexing and analysis a breeze!

Analysing Experimental Data. Just drag-and-drop an image of your experimental diffraction pattern into a SingleCrystal window. The image is displayed as a background picture, and you can superimpose a simulated pattern above it. SingleCrystal can display a wide range of image formats, including JPEG, TIFF, PNG, GIF and BMP.

Drag-and-drop a CrystalMaker binary file to simulate its single-crystal diffraction pattern, then click-and-drag to reorient the pattern, scale or change the intensity saturation. You can turn on the display of hkl values, and refine your orientation using the Set View Direction command.

Using SingleCrystal to understand twinning in tetragonal leucite. The red diffraction spots correspond to a simulated diffraction pattern from an ideal crystal; these are superimposed over an electron micrograph from a real, twinned crystal, showing pairs of spots.

High-Resolution Graphics & Printing. With the full version of SingleCrystal you can print your diffraction patterns (including background pictures and measurements) and stereograms at high resolution. You can copy or export graphics, in a choice of vector or pixel format, for easy copying/import into other programs.

Custom Tools. Each diffraction window has a fully-customizable toolbar, permitting easy installation of additional tools to suit your requirements.

Toolbar options available for the Mac version. Similar tools are available, via a contextual menu, in the Windows version.

Stereographic Projection. To help you navigate through diffraction space, you can take advantage of a cool navigational aid: a live stereographic projection ("stereogram") which slides out in a drawer window at the side of the main diffraction window.

The stereogram shows the angular positions of plane normals or lattice vectors (zone axes) plotted as poles and optionally as great circle traces. You can click-and-drag the stereogram display to quickly rotate your crystal, and watch as the diffraction pattern is recalculated in real time.

Stereogram for a triclinic crystal (the mineral anorthite), showing the planes 100 and 010 lying in the zone [001]. The [001] zone axis is indicated by the purple square close to the centre of the stereogram; for reference, the (001) plane normal (in blue) is also plotted.

You can customize the display, adding any number of poles, with or without their traces, using different colours and labels. The full version of SingleCrystal lets you edit, show or hide all symmetry-related directions.

Stereogram of a cubic crystal, showing planes of the form {100} in red, {110} in blue and {111} in green. All symmetry-related planes were added automatically by the program.

Export Data. The full version of SingleCrystal lets you export diffraction data in various formats, including a comprehensive listing of intensities, phase angles, d-spacings, etc., sorted by d-spacing, intensity or hkl.

You can also generate a "Zone Axes" file. This comprises a listing of zone axes, their shortest reciprocal lattice vectors and angles - ideal for indexing unknown orientations for real diffraction patterns.