SingleCrystal 3 化學繪圖分析軟體-資安軟體/研究分析軟體/心理學軟體/新永資訊有限公司

SingleCrystal 化學繪圖分析軟體

Introducing SingleCrystal 3
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 simulate X-ray, neutron and electron diffraction patterns from single crystals, display reciprocal lattice sections 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.

Interactive Diffraction Simulation
SingleCrystal provides simulation of key diffraction techniques - Laue, Precession & transmission electron diffraction - with control over sample and instrumental parameters. Reciprocal lattice sections can also be visualized, with control over layer height. SingleCrystal 3's multi-core architecture dramatically accelerates simulation times for massive structures such as proteins. Once the intensity calculation is complete, diffraction patterns can be rotated in real time using the mouse or multi-touch gestures on the trackpad. SingleCrystal supports high-resolution "Retina" graphics on the latest iMac and MacBook/Pro computers.

Measure and Explore
SingleCrystal can label reflexions, show systematic absences, and lets you measure distances and angles between diffraction spots. You can colour-code your patterns by intensity, wavelength, or even phase angle. Diffraction- and structural data can be browsed and sorted on screen. You can edit lattice parameters and site occupancies - and opt to exclude certain sites from the diffraction calculation.

Real-Time Multi-Touch Control
SingleCrystal lets you rotate your (virtual) crystal in real time, using multi-touch gestures (Mac), by clicking-and-dragging with the mouse, clicking toolbar "tilt" controls, or using the keyboard. Precise tilts can be entered, or you can define a view direction as a plane normal or lattice vector. Other controls allow you to change the scale (camera constant), saturation, sample thickness, wavelength and other parameters.

Compare Simulated & Observed Data
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. Use the translucent Ruler, Protractor and Grid overlays to measure your pattern and copy the results to the clipboard. Simulated patterns can be superimposed above observed patterns, for direct comparison. 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.

Stereographic Projections
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. 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. SingleCrystal can even display symmetry-related poles and traces.

Data & Graphics Export
SingleCrystal lets you save your work in a self-contained session file, ready for instant display next time you use the program. You can also export diffraction data listings and "Zone Axes" files - useful for indexing observed patterns. Diffraction patterns (including background pictures and measurements) can be printed at high resolution. You can also copy or export graphics and stereographic projections in either pixel- or vector-based formats.

CrystalMaker X Integration
SingleCrystal 3 is designed to work with CrystalMaker X, reading from saved crystal files to simulate diffraction properties. The two programs can be linked, letting you view a crystal structure in one window, and its diffraction pattern in another. With CrystalMaker's "Live Rotation Mode" enabled, rotating the crystal causes its diffraction pattern to rotate - and vice versa.

SingleCrystal 3 化學繪圖分析軟體-資安軟體/研究分析軟體/心理學軟體/新永資訊有限公司

SingleCrystal 3 化學繪圖分析軟體

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