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CrystalDiffract 4.1 Mixes Like a Pro
Major new upgrade simulates mixtures
with drag-and-drop ease - and colorization!

CrystalDiffract 4.1 Window

Individual components of multi-phase diffraction patterns can now be represented clearly, and in colour
6 March 2003 We are pleased to announce the release of CrystalDiffract version 4.1: a major update with a huge variety of new features and interface enhancements.

The new program includes a number of peak overlay options to "colorize" diffraction patterns. You can display individual peak profiles - for different phases in a multi-component mixture - superimposed on the diffraction profile. You can choose between dashed or solid lines, a filled profile, or simple stick markers. This new feature makes it easy to interpret overlapping peaks and is particularly useful for quickly identifying which peak belongs to which phase in a mixture, as the image on the right-hand side shows.

Also new is the ability to create mixtures by dragging and dropping files into the display pane. You can now use aliases or even folders full of files - for both the Structures List and the display pane. The Structures list has been totally revised, and can be used to control mixtures, command-clicking on multiple files.

Intelligent parameter control allows you to simulate the effect of solid solution or changing mixture composition, by clicking and dragging a site occupancy or volume fraction slider control. CrystalMaker will adjust the values of other site occupancies/phase proportions, in order to preserve the overall occupancy or volume fraction at 1.0 (if appropriate).

CrystalDiffract, like its sister program CrystalMaker, can now use file extensions to identify openable files - even if these files have lost their Macintosh file/creator codes. Other changes include instant startup time, an expanded and reorganized online help system, improved interface design - with better performance under Mac OS X 10.2 "Jaguar", and much faster diffraction profile calculations.

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