Individual components of multi-phase diffraction
patterns can now be represented clearly, and in colour
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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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