CrystalMaker SingleCrystal 5.0.0.300

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CrystalMaker SingleCrystal 5.0.0.300

File size: 73.1 MB



From the classroom to the laboratory to the synchrotron: SingleCrystal is the easiest way to visualize and understand diffraction and morphological properties of crystals. SingleCrystal lets you simulate multi-phase X-ray, neutron and electron diffraction patterns, display reciprocal lattices (in 2D or 3D), visualize Brillouin zones and construct stereographic projections of planes or vectors. By combining a simulated pattern with an observed diffraction image, you can auto-index the pattern and determine the orientation of your crystal.

Crystal Shapes
SingleCrystal lets you build crystal shapes quickly and easily. Just enter one or more faces and let SingleCrystal calculate their symmetry-relations. Click-and-drag slider controls to set the face positions ("Wulff Construction") then you can measure interfacial angles or vertex relationships.
Since SingleCrystal is a multi-pattern/structure program by design, you can combine multiple shapes to compare chiral effects (e.g., left- and right-handed quartz), or to understand twinning relationships, such as this "Carlsbad Twin" in potassium feldspar:-

Stereographic Projections
To help you navigate through diffraction space, you can take advantage of a live stereographic projection ("stereogram") which can be displayed full size, or in miniature, as an orientation guide. The stereogram shows the angular positions of plane normals or lattice vectors (zone axes) plotted as poles and optionally as great- or small-circle traces.
A dedicated Stereogram Inspector lets you add poles (or request that SingleCrystal automatically add poles to a maximum hkl, or add symmetry-related poles). You can group poles by symmetry or N value, colour them - and use the extensive Projection controls to customize display attributes such as stereonet, line widths, pole and font sizes, etc.

Fourier Transforms
You can instantly generate a Fourier Transform from any displayed image or diffraction pattern. Alternatively, you can show an interactive Fourier Transform view as you work. The Fourier Transform pane even has its own scale bar and ruler: a great way to understand reciprocal relationships.
SingleCrystal includes an extensive library of Fourier Transform "masks" and patterns, designed to reinforce teaching on "optical" diffraction and the concept of "convolution".


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