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You can browse and sort reflexions in the list double-click any reflexion to instantly locate it in the plot. CrystalDiffract provides powerful x-ray and neutron powder diffraction simulation capabilities: but is quick and easy to use. Search, Browse ReflexionsĪn integrated Search field lets you quickly find simulated reflexions: in the plotted pattern, or in the Reflexions List. Patterns can be sorted according to various criteria and auto-stacked on screen. You can also specify a precise plot range, use the Scroller tool or use the toolbar's scale and scrolling commands. Just "pinch-to-zoom", and slide to scroll horizontally, or scale vertically. Scaling and scrolling your diffraction pattern is a breeze with CrystalDiffract's trackpad support. powder diffractograms were calculated with CrystalDiffract (Copyright 2015. You have extensive control over the display, including pattern colours, line and marker sizes/styles, transparency, shadows, peak overlays, gridlines, film styles and colours, peak labels (including content, positioning and alignment), Legend display, plot title - plus your text fonts and sizes. reciprocal space, and were indexed by the APEX II program.3 The structures. Only the first two columns ('x' and 'y' are imported).

CrystalDiffract (version 6.6.5, CrystalMaker Software Ltd., Oxford, UK) was used to simulate the. CrystalDiffract can now import observed diffraction patterns in the CSV ('comma-separated variable') file format. with different sets of Miller Indices have the same d-spacing. A quantitative textural degree index DR is proposed. The Loupe gives a high-resolution view of yourĭata, without the need to keep changing scale. CrystalDiffract is a powder diffraction module for. PHREEQC is based on an ion-association aqueous model and has capabilities for (1) speciation and saturation-index calculations.