CrystalDiffract X Manipulate X-ray and neutron-powder diffraction patterns.
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x-ray diffraction X-ray diffraction neutron-powder diffraction diffraction pattern neutron-powder

CrystalDiffract X Description

Manipulate X-ray and neutron-powder diffraction patterns. Welcome to CrystalDiffract: an elegant, easy-to-user program for understanding and visualizing x-ray and neutron powder diffraction patterns from crystals. CrystalDiffract reads from CrystalMaker files, and simulates powder diffraction patterns - fast. The patterns can be displayed as films or graphs, manipulated, measured, indexed and printed (Pro version). Detailed listings of intensities, structure factors and other data can be generated as text files.Here are some key features of "CrystalDiffract X":· The New DiffractionCrystalDiffract goes beyond traditional laboratory x-ray diffraction, with the ability to simulate diffraction from the latest synchrotron x-ray sources (white-radiation energy-dispersive diffraction) as well as ultra-high resolution neutron spallation sources (time-of-flight diffraction). · Analysing Experimental DataCrystalDiffract lets you import multiple experimental (xy) datasets for comparison with simulated data. 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). · Comparing diffraction patterns for a mineral sample (centre) with simulated patterns for different phases (top and bottom). 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). Simulating Mixtures· CrystalDiffract can simulate diffraction patterns from from multi-phase mixtures. You can add new phases to a mixture simply by dragging and dropping files into a diffraction window and then clicking the Toolbar's "Mix" button. · Mixture components can be colour-coded, with their individual diffraction peaks superimposed on the composite diffraction trace. · You can have virtually unlimited numbers of components, adjust individual phase proportions in real time, and turn phases "on" or "off" using checkboxes in the Structures List. You can toggle between display of separate diffraction patterns (perhaps stacked, for greater clarify), and combined in "mixture mode". · Diffraction From Imperfect Samples· You can simulate (isotropic) particle size and strain-broadening effects, and apply different settings to different diffraction patterns in the same window: invaluable for materials science and engineering, as well as clay mineralogy and ceramics applications. Saved Diffraction Experiments· An entire diffraction experiment can be saved in a single, self-contained "session" file. Unlike earlier versions of CrystalDiffract, the new version 5 session files are completely self-contained, so you don't have to keep track of original data files. · CrystalDiffract 5 also gives you much greater control over the program's default behaviour. A new Preferences command displays a tabbed Preferences window, letting you browse, edit or reset the program's settings. Enhanced Display· With the full version of CrystalDiffract you can display your diffraction patterns as a function of d-spacing or 1/d, and these can be printed at high resolution - either directly to the printer, or as an Adobe PDF file on disc. · CrystalDiffract 5 provides individual plot settings for selected diffraction patterns plotted in the same window. You can select a pattern and choose from a wide range of plot styles. You can also adjust the front-to-back ordering of multiple diffraction patterns, and automatically stack- or collapse the display. · Export DataYou can export text files containing structure factors for all reflections (useful for single-crystal work), as well as high-resolution diffraction profiles, with a user-defined channel size (which can be plotted in spreadsheet or charting programs). Requirements: · PowerPC- or Intel-based Mac. · Minimum of 800 x 600 pixels resolution, with thousands or millions of colours. Limitations: · Only these features are available in the demo version: Calculate diffraction patterns for any crystal; Simulate x-ray or neutron diffraction; Visualize diffraction as films or graphs; Measure and index a diffraction profile; Interactively edit structural and other data. What's New in This Release: · Improved window layout. The diffraction window has a sleek new look, with a "transparent" grow box. The shadows under the graph and residual areas has been restored when running under Mac OS X "Leopard". · Improved Network Checking. The program's network checking procedure (which compares usage with the licensed limit) has been strengthened, and now correctly takes account of the software platform being used. Miscellaneous Changes. This version includes numerous "under the hood" changes, plus a few bug fixes: · A spurious error message reporting "invalid temperature factors" has been fixed. · A duplicate keyboard shortcut on the Plot Styles submenu has been removed (this conflicted with the Diffraction > Film command). · Online help and the user's guide have both been updated for this release.

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