CrystalDiffract 6 is an all-new application, entirely rewritten using the latest object-oriented design, taking advantage of multi-processing (and multi-touch!) technologies for Mac and Windows. The software is now faster, easier to use - and far more powerful.
All-new object-oriented design, entirely rewritten using Cocoa (Mac) and .NET (Windows)
64-bit.
Multi-processor support: massive speed improvements.
Multi-Touch: intuitive zoom, scroll using trackpad.
Undo/Redo menu commands (Mac).
Drag-and-drop patterns between windows.
Full-screen mode, including "Spaces" support (Mac).
Supports document tabs (macOS "Sierra" and "High Sierra").
Retina graphics (Mac); high-DPI screens (Windows).
Supports "Dark Mode" in macOS 10.14 "Mojave".
Sleek multi-pane window layout, designed for the latest Mac and Windows operating systems.
Easy parameters adjustments with live updating.
Search and find reflexions using the integrated search field; double-click listed reflexions to show their peaks.
Cursor tool with info display in Legend.
Peak tips: highlight reflexions and their properties as you move the mouse.
Haptic feedback (Mac): feel your peaks as you move the cursor over them (note: requires a force-touch trackpad with haptic feedback enabled).
Interactive Ruler: making measurements even easier.
Loupe: high-resolution display saves on screen space.
Scroller: fast scrolling when - and only when - you need it, with full diffraction range preview.
Scattering Factors window, with live visualization and editing.
New Preferences window.
Copy/export/drag-and-drop graphics from diffraction view or atomic scattering factor graph.
Multiple graphics file formats including PDF, EPS (Mac), TIFF, PNG and JPEG.
Wide choice of line and marker styles for graphs.
Control font sizes and styles.
Background colour option.
New labelling options, including rotation, arrows and positions.
New Film display modes: Negative, Positive, Fire, Ice, Rainbow.
Electron powder diffraction.
Preferred-orientation corrections for plates or needles.
Q-space ( (2π/d) axis option.
Logarithmic y-axis option.
Separate simulation and axis display options (e.g., simulate time-of-flight diffraction, but plot data as a function of 1/d).
Variable peak widths for time-of-flight simulations (resolution function, Δd/d).
Wider d-spacing range for default calculations (higher-angle data).
Reflexions grouped by symmetry, rather than just d-spacing.
Export diffraction profiles for simulated mixtures.
Toggle atomic displacement parameters ("thermal ellipsoids") on or off.
Easy drag-and-drop mixture editing: drag-and-drop patterns into Mixture "folder" groups in the Patterns List.
Combine observed & simulated patterns in the same mixture.
Visualize multiple mixtures/separates in the same window.
Integrated crystal editor: create new crystal structures, with full symmetry handling - no other software required.
Simulates diffraction patterns directly from CIF, STRUPLO, CMTX or CMDF files.
Integrated data editor: create new data files directly within the program.
Imports Rigaku-Scintag "ASC" diffractometer files.
Imports STRUPLO files.
Imports and exports CIF files.
Imports and exports CMTX (CrystalMaker Text) files.
Imports CMDF (CrystalMaker legacy documents) files generated by CrystalMaker versions 7 to 9.
Imports CMDX documents generated by CrystalMaker X.
Works with CrystalMaker 10.4 (and later) "Live Powder Diffraction" mode, allowing automatic updating of a diffraction pattern as the source structure is changed in CrystalMaker.
Direct visualization link with CrystalMaker: select a pattern in CrystalDiffract, and with a single menu command, visualize its structure in CrystalMaker.
High-resolution profile export.
X-Value scaling for observed data.
Background subtraction for observed data, using intuitive Bézier-curve manipulation.
Data smoothing for observed data, using a fast bilinear model.
See Also