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CrystalDiffract is designed to make the world of X-ray (or neutron) powder diffraction intuitive, interactive, and fun! CrystalDiffract reads from saved crystal files, to simulate x-ray or neutron powder diffraction patterns on screen, with easy manipulation and measurement tools.
Real-time parameter controls let you experiment with diffraction and sample settings, with instant feedback. Combine these with instant mixture creation - and the ability to load observed data in the same window - and you have a powerful workbench application for researchers, teachers and students alike. CrystalDiffract lets you import multiple experimental (xy) datasets for comparison with simulated data: just drag-and-drop text files into your diffraction window.
You can check your experimental data for impurity phases or other anomalies - or even attempt to identify an unknown phase using a match of observed and calculated data (the Structures list allows you to quickly scan through a list of ideal phases, relative to the observed data).
When the observed data have been characterized, baseline and zero-error corrections can be applied interactively, and a residual graph/film displayed on screen (together with a sum-of-squares difference calculation).
CrystalDiffract offers extensive plot control. You can select a pattern and choose from a wide range of plot styles. You can specify a precise plot range, or search for specific peaks. Scaling controls are provided for x and y axes, with a Magnify tool and auto-scaling option. You can also adjust the front-to-back ordering of multiple diffraction patterns, and automatically stack- or collapse the display.
CrystalDiffract offers high-resolution printing, re-sampling simulated diffraction profiles to match your printer's resolution. As an alternative to printing, you can export diffraction traces as text files, in xy format, with your chosen x-axis resolution.
CrystalDiffract lets you save your work as a self-contained "session" file, for quick and convenient access next time you use the program. You can also export data files containing structural data, listings of custom-sorted diffraction data, structure factors, or diffraction profiles (e.g., for plotting in a spreadsheet or graphing program). CrystalDiffract is available in two separate versions, for Windows (XP/Vista/Windows 7), or for Mac OS X (Snow Leopard/Leopard/Tiger). Runs with Windows XP, Vista and Windows 7
Mac and Windows versions share the same binary file format, and similar feature sets, making cross-platform working and collaboration easy!
Each version is designed, from the ground up, for its respective operating system, offering genuine operating system support and maximum performance - with no compromises.
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