As an alternative to printing, you can export diffraction traces as text files, in xy format, with your chosen x-axis resolution. CrystalDiffract offers high-resolution printing, re-sampling simulated diffraction profiles to match your printer’s resolution.You can also adjust the front-to-back ordering of multiple diffraction patterns, and automatically stack or collapse the display. 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. Plot Control CrystalDiffract offers extensive plot control.You can check your experimental data for impurity phases or other anomalies – or even attempt to identify a unknown phase using a match of observed and calculated data (the List of Structures allows you to quickly scan through the list of ideal phases, When the observed data has been characterized, the baseline and zero-error corrections can be applied interactively, and a residual graph / film displayed on the screen (along with a calculation of the sum of squares difference).Analyze Experimental Data CrystalDiffract lets you import multiple experimental (xy) datasets for comparison with simulated data: just drag-and-drop text files into your diffraction window.You can toggle between displaying separate diffraction patterns (perhaps stacked, for greater clarification), and combined in “mix mode.” You can have virtually unlimited number 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 by simply dragging and dropping files into a diffraction window and then clicking on the Toolbar’s “Mix” button. Simulating Mixtures CrystalDiffract can simulate diffraction patterns from multi-phase mixtures.
0 Comments
Leave a Reply. |