CrystalDiffract 5.0

CrystalDiffract is a program to simulate, display and manipulate x-ray and neutron powder diffraction patterns - directly from CrystalMaker, or from your CrystalMaker binary files.

On-screen tools allow you to measure peak positions, d-spacings and indices. Diffraction profile information and help text are displayed in the toolbar. CrystalMaker-3 now has built-in support for CrystalDiffract: you can edit a structure in CrystalMaker-3, select a menu command and see the resulting diffraction pattern in CrystalDiffract.

New Features in CrystalDiffract 5.0

• Smooth line drawing for graphs with custom anti-aliasing code
• High-resolution printing - up to 300 dpi on PostScript printers. Window title now displayed on all printouts.
• "Go to hkl" command - lets you centre the diffraction pattern on the position of a specified peak
• Improved info tool - a new data cursor can be positioned in any diffraction window, and remains when other windows are selected. Good for marking important features and comparing different diffraction patterns.
• Major new help system: HTML-based; works with any web browser or the new MacOS8.5 Help Viewer (replaces the old AppleGuide-based system.)
• New text labelling options with rotated text and peak label threshold control. These make text labels much easier to read, and give the option of only labelling the most intense peaks.
• Improved peak plotting - particularly for small window sizes, using a revised data sampling algorithm.
• Intelligent x- and y-axis tick values: integral values now automatically selected, according to the plot limits and window size. Window grids move with the tick markers.
• More reflexions per window (increased by 50%).
• Preferences file stores your diffraction and help viewer settings
• Miscellaneous interface improvements and bug fixes

As with the previous version, CrystalDiffract 2.1 can be launched directly from CrystalMaker-3. This makes it easy to edit your structure and see the effects on the diffraction pattern right away.