![]() As an alternative to printing, you can export diffraction traces as text files, in xy format, with your chosen x-axis resolution.ĬrystalDiffract 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 adjust the front-to-back ordering of multiple diffraction patterns, and automatically stack- or collapse the display.ĬrystalDiffract offers high-resolution printing, re-sampling simulated diffraction profiles to match your printer's resolution. Scaling controls are provided for x and y axes, with a Magnify tool and auto-scaling option. You can specify a precise plot range, or search for specific peaks. You can select a pattern and choose from a wide range of plot styles. 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).ĬrystalDiffract offers extensive plot control. 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). You can toggle between display of separate diffraction patterns (perhaps stacked, for greater clarify), and combined in "mixture mode".ĬrystalDiffract lets you import multiple experimental (xy) datasets for comparison with simulated data: just drag-and-drop text files into your diffraction window. 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 add new phases to a mixture simply by dragging and dropping files into a diffraction window and then clicking the Toolbar's "Mix" button. Of course, traditional laboratory diffractometer techniques are also covered, and you present your resuls as a diffractometer "trace", or a simulated diffraction film.ĬrystalDiffract can simulate diffraction patterns from multi-phase mixtures. 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.ĬrystalDiffract 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). ![]() Real-time parameter controls let you experiment with diffraction and sample settings, with instant feedback. CrystalDiffract reads from saved crystal files, to simulate x-ray or neutron powder diffraction patterns on screen, with easy manipulation and measurement tools. Обладает легкой манипуляцией данными и необходимыми инструментами измерения.ĬrystalDiffract brings the world of x-ray & neutron powder diffraction to your computer screen, with interactive control and easy characterization of your experimental data. ![]()
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