Enhanced Structure Checking. When editing an existing crystal, or importing a new one, the program now performs additional checks to ensure that inter-axial angles are non zero and that their sums are less than 360°.
Miscellaneous Changes. This version includes miscellaneous fixes and enhancements.
Update checking works with our new SSL-based web server.
Fixed a very-rare bug involving the "Notes" field in CrystalMaker text (CMTX) files.
Reciprocal & Weighted Reciprocal Lattices can now be drawn when simulating electron diffraction.
Miscellaneous Changes. This version includes miscellaneous fixes and enhancements.
The stereogram is now updated in real time when unit cell parameters are adjusted via the Unit Cell sliders and text boxes in the Simulate inspector.
Duplicating a simulated pattern in the Patterns List now correctly copies the reflexions array.
Toggling atomic displacement parameters (via the Sample group in the Simulate inspector) now correctly updates the diffraction simulation.
Fixed a minor memory leak when opening a document.
Powder rings are now drawn in "Reciprocal Lattice" mode.
CIF files containing anisotropic temperature factors expressed in the (rarely used) Bij format, are now imported correctly.
Cartesian Coordinates Imported from CIF files. SingleCrystal can now read orthogonal coordinates from a CIF file, as saved with the _atom_site_Cartn_x, _atom_site_Cartn_y and _atom_site_Cartn_z tags - and provided that an orientation matrix is also included in the file using the _atom_sites_fract_tran_matrix_ij tag.
Smaller TIFF File Output. SingleCrystal now uses the LZW (lossless) compression option in its TIFF image output. This greatly reduces file size (typically less than a quarter the size of an uncompressed file).
Miscellaneous Changes. This version includes miscellaneous fixes and enhancements.
Workaround for an issue involving certain SingleCrystal for Windows documents, where the Ruler and Grid divisions were saved incorrectly.
Improved stereogram poles list display, using smaller text for the Miller indices. This gives more room for angled brackets and four-index Miller-Bravais notation.
When exporting stereograms without a stereonet, an outer circle is now drawn.
Adding symmetry-related poles to the Stereogram now works correctly for lattice vectors as well as for plane normals.
Improved Labelling scheme for Powder Rings. SingleCrystal now displays the Miller indices of powder rings in a prettier format - using the same algorithm as CrystalDiffract to ensure that where multiple reflexions contribute to the same powder ring, negative indices are avoided and non-zero h-indices are given priority (thus, in a cubic crystal 100 is chosen over 010 or 001).
Repositioned Ring Labels. Previously, labels were offset from their corresponding rings. However, for patterns with closely-separated rings it became difficult to identify which label applied to which ring. To resolve this, labels are now drawn inside elegant lozenges, positioned directly over the relevant ring. Each lozenge is drawn in the background colour (or a label highlight colour if the background colour and the label colour are similar). Lozenges can be framed - this setting is controlled by the Show label outline setting in the Labels group of the Display Inspector.
Miscellaneous Changes. This version includes miscellaneous fixes and enhancements.
Fixed a (rare) issue in which the program could crash when attempting to drag-and-drop a pattern from one window to another.
When adjusting unit cell parameters via the Simulation Inspector, d-spacings for all reflexions are correctly updated. We also provide a workaround for an apparent system issue with prevent the Reflexions List from being correctly updated.
Weaker powder rings can now be displayed in simulated TEM diffraction patterns. (For performance reasons, we had applied a minimum tolerance for powder ring display; this has been reduced considerably in the present version.)
Updated Structures Library. All structures have been checked to ensure they contain valid element symbols. (A handful of files contained dummy element symbols - used for displaying custom polyhedral geometries - which triggered "symbol not found" warnings during file import as the program struggled to assign atomic scattering factors). The library also includes some revised structures, including Sillimanite, which now has atomic displacement parameters.
Miscellaneous Changes. This version includes miscellaneous fixes and enhancements.
Simulated powder rings are now updated as cell parameters are adjusted "live" using the slider controls in the Inspector.
CMTX files containing numeric site labels (or labels whose first character begins with a numeral) can now be imported safely.
Improvements have been made to line graph scaling (e.g., for the Profile display and the Scattering Factors). This corrects a potential - although very-rare - issue in which the program could become bogged down drawing excessive numbers of tickmarks when the minimum and maximum values were almost equal.
Workaround for a system-related issue in which repeated keyboard input (e.g., using the Arrow keys to move or rotate a pattern) would stop working after a few seconds and the system would start beeping.
Blank Site Label Detection. This version will automatically fix any blank site labels detected during the import of a CMDX document. The crystal editor has also been upgraded to prevent the definition of blank site labels.
Miscellaneous Changes. This version includes miscellaneous fixes and enhancements.
New peak-labelling algorithm to favour indices in the order h > k > l. The changes will be most noticeable for cubic crystals and mean, for example, that 200 would be shown instead of 002. This change brings the software closer into line with teaching practise.
Improved Library window to ensure that the Search field is visible by default on macOS 11 "Big Sur".
Expanded Structures Library. 10 new crystal structures have been added to the library, bringing the total close to 1200. The new structures correspond to the minerals: Alabandite, Coloradoite, Daubreelite, Ferrihydrite, Mackinawite, Polydymite, Pseudorutile, Trevorite, Tungstenite, Vysotskite.
Miscellaneous Changes. This version includes miscellaneous enhancements and fixes.
Improved licensing agreement viewer (as accessed via the Licence button in the "About" window. This no longer requires users to explicitly "agree" or "disagree" when merely reviewing the content.
"Sliding sidebars" now animate correctly on macOS 11 "Big Sur".
This version includes additional stability improvements and integrity checks to ensure safe operation.
Expanded Structures Library. 35 new crystal structures have been added to the library. These correspond to the minerals: Akimotoite, Annite, Arcanite, Arsenolite, Augelite, Avicennite, Baddeleyite, Bityite, Brewsterite, Bromellite, Brownmillerite, Cattierite, Chlorapatite, Claudetite, Edingtonite, Ferrierite, Gamma-Fe2SiO4, Garronite, Gonnardite, Hafnon, Heazelwoodite, Hydroxyapatite, Karelianite, Kirschsteinite, Liebenbergite, Loellingite, Matlockite, Montroydite, Neighborite, Otavite, Smythite, Thenardite, Vaesite, Violarite and Whitlockite.
The old "Apatite" structure has been replaced by a newer, Fluorapatite structure. The non-mineral CaAl12O19 structure has been removed, as it corresponds to the mineral "Hibonite", which is already present in the library.
Improved Poles Inspector. The layout has been revised for macOS 11 "Big Sur" so that all columns can be seen without needed any horizontal scrolling.
Miscellaneous Changes. This version includes updated documentation and Preferences Panel.
Improved "About" window now displays the licensed software edition (e.g., Student, Education, Standard or Demo).
Improved update checking: faster and more reliable.
Updated documentation. The User's Guide now includes hyperlinks in the table-of-contents and index.
Faster Image Loading. A new algorithm dramatically speeds the loading of large diffraction images into the program - and works around changed system behaviour in macOS 11 "Big Sur" that caused the program to crash.
Sliding Sidebars. The Patterns List and Inspector sidebars now gracefully slide in- and out of the main window.
Miscellaneous Changes. This version includes updated documentation and Preferences Panel.
The Preferences Panel is now marked with the "Big Sur" Preferences theme, making its panes easier to navigate.
The Patterns List is now automatically shown when a multi-structure file (CIF, CMDX) is imported.
Updated Online Help and User's Guide.
Universal Binary. SingleCrystal now runs natively on Apple Silicon! The same application also runs natively on older, Intel-based Macs - it is distributed as a "Universal Binary", to give you maximum flexibility - and performance.
Supports Big Sur. This version of the program is designed to run on macOS 11 "Big Sur" and the interface has been updated to ensure compatibility with this, and older operating systems. Note that we currently eschew the Big Sur "unified" toolbar design, in favour of a conventional "extended" design, as this allows all of the standard controls to remain visible, despite the more spacious Big Sur layouts.
Laue Top Plate Simulation. SingleCrystal now supports a 90° Laue diffraction mode (as commonly used in micro-diffraction experiments). Here, the detector is arranged parallel to the x-ray beam and above the crystal.
Revised Electron Scattering Factors. Earlier versions of SingleCrystal (prior to version 4.1) used relative scattering factors for electrons, based on the ratio of electron to x-ray scattering amplitudes. However, in line with modern publications, SingleCrystal now uses the Born Electron Scattering Amplitudes, as derived from the Mott Equation. The resulting intensities remain the same as before, due to the use of an intensity compensation term (designed to make x-ray and electron intensities appear similar on screen).
Display of Born Electron Scattering Amplitudes in the Scattering Factors graph. This is an option in a new popup "Graph" menu, allowing users to compare Electron and X-ray scattering as a function of scattering angle or reciprocal d-spacing. The graph also now supports multi-touch scaling and different x-axes (sin θ / λ or d*)
More Crystal Structures. Added 24 more crystal structures including miscellaneous semiconductors, hydroxides and lithium-bearing minerals. The new structures include: Se [grey], SiC 3C, BAs, AlP, BP, GaSb, InN, InP, InAs, InSb, ZnTe, PbTe, Bi2Te3, PtSi, Cu2SnS3, Peatite, Polylithionite, Sugilite, Tavorite, Tainolite, Violet Phosphorous, Caoxite, Weddellite and Whewellite.
Miscellaneous Changes. This version includes an improved crystal editor, higher TEM voltages, plus miscellaneous fixes and enhancements.
Improved View Direction sheet with "prettier" direction indices.
Improved crystal editor: multiple sites can now be toggled "on" or "off" by selecting their rows and clicking a single checkbox.
Increased the maximum TEM voltage from 1000 to 9000 keV.
Fixed a rare issue with CIF import in which non-standard element symbols (e.g., "Va") were replaced with standard equivalents (e.g., "V"). We now respect the original symbols.
Fixed a rare display issue when showing best-fit zone axes in four-index notation.
Fixed a scaling issue for Laue patterns.
Extended Crystals Library. We include 13 new crystal structures in this release, comprising 11 new minerals and 2 "other inorganics". The new structures are the minerals: Brannerite, Greigite, Fairchildite, Nyereite, Pseudobrookite, Studtite, Trona, Ulvöspinel,Variscite and Vivianite; plus Lithium Hydroxide Monohydrate and Mg2TiO5 ("Karrooite").
Improved User's Guide. The SingleCrystal User's Guide now has a vastly-more comprehensive index.
Miscellaneous Changes. This version includes improved output, the ability to import "zero dpi" image files, and more flexibility for setting spot sizes.
The origin 000 is now omitted from output files.
Added a fallback option (600 dpi) image resolution setting for use when an imported diffraction image (incorrectly) specifies a resolution of zero dpi.
Increased the maximum reflexion spot size from 0.3 to 1.0 Å-1.
Kikuchi Threshold. A new slider control permits the setting of a minimum "threshold", below which weaker Kikuchi Lines are hidden. This greatly speeds the resulting display, especially at low magnification when lines from widely-ranging zone axes may be visible.
Extended Crystals Library. An additional 23 crystal structures have been added, including the minerals Awaruite, Lorenzenite, Mesolite, Proustite, Pyrargyrite, Pyrophanite, Pyroxferroite, Romanechite, Roscoelite, Scolecite, Sinhalite, Tennantite, Tenorite, Thomsonite, Thorite and Tincalconite; plus 4 superconductors: Bi2Sr2Ca2Cu3O10, HgBa2Ca2Cu3O8, HgBa2CaCu2O6 and Tl2Ba2Ca2Cu3O10.
Miscellaneous Changes. This version includes an improved Preferences panel, better "fast" Kikuchi Line display, plus miscellaneous bug fixes.
Adding symmetry-related poles to the stereogram now results in the colours and other attributes of the original poles being applied to the new, symmetry-related poles.
When plotting Kikuchi lines in "Fast Mode", the width of the lines now better reflects the line widths shown in "High Quality Mode".
The Preferences Panel now uses a tabbed layout for Instrument settings. Higher-precision camera lengths can also be entered.
Fixed a bug when converting from 3-index ("Millerian") to four-index ("Weberian") zone axis settings
Extended Crystals Library. An additional 55 crystal structures have been added, bringing the total to over 1,000, including over 500 distinct mineral species.
The new crystals comprise the minerals: Calaverite, Carnallite, Chalcosiderite, Danburite, Digenite, Dioptase, Djurleite, Dumortierite, Enargite, Epsomite, Euclase, Famatinite, Fergusonite, Ferrocolumbite, Fischesserite, Galaxite, Gaylussite, Geikielite, Glaucodot, Gmelinite-Na, Haüyne, Hydroboracite, Hydrozincite, Ilvaite, Inyoite, Iodargyrite, Jacobsite, Kainite, Krennerite, Kutnohorite, Lamprophyllite, Linnaeite, Lithiophilite, Luzonite, Magnesiochromite, Magnesioferrite, Manganite, Manganotantalite, Melanterite, Metacinnabar, Microlite, Mimetite, Montbrayite, Muthmannite, Nagyagite, Natroalunite, Neptunite, Petzite, Phosgenite, Plancheite, Polyhalite, Powellite, Shattuckite, Triphylite; and the semiconductor material SnTe.
Miscellaneous Changes. This version includes an updated user's guide and minor bug fixes.
The User's Guide has been updated with improved chapter colouring and additional content.
The Reset Original Cell button in the Unit Cell group of the Simulation Inspector now works correctly if a structure has been edited.
Restored window states are now shown correctly, without a blank region covering the Reflexions List area.
South-hemisphere traces in the stereogram now use the same line thickness as North-hemisphere traces.
Added a workaround for a system issue (on some, but not all, Macs) which could cause a program hang when adding multiple patterns to the Patterns List.
The issue was related to the way in which the operating system then displayed a vertical scroll bar. Normally, this should appear as an overlay, but on the affected machines it was actually resizing the embedded list. This caused an infinite sequence: showing the scroll bar made the list narrower and shorter - thereby causing the scroll bar to vanish; this caused the list to become wider and taller, making the scroll bar reappear - and so on, ad infinitum.
This version includes optimizations to improve multi-threaded operations and avoid (rare) deadlock conditions.
SingleCrystal 4 is an entirely-new program, developed from scratch for the very-latest Mac operating systems (including macOS 10.15 "Catalina"). Every line of code has been rewritten, with an entirely-new, object-oriented architecture, multi-core performance, and a new fully-interactive interface design.
State-of-the-art design. SingleCrystal 4 is a state-of-the-art, 64-bit multi-processor, multi-touch, multi-pattern application.
Object-oriented design using native Objective-C/Cocoa code.
64-bit precision used for all calculations and storage.
Multi-processor design for improved performance.
Multi-touch rotation, zooming and scrolling with a trackpad.
Drag-and-drop patterns between windows.
Built for Mac. SingleCrystal has always been a native Mac program. And the results speak for themselves:-.
Retina display: gorgeous high-resolution graphics on the latest Macs.
Dark Mode.
Full-screen mode including "Spaces" support.
Document tabs.
Haptic feedback: feel your reflexions!
Dedicated Touch Bar interface (MacBook Pro) with powerful controls for rotation and scaling.
Quick Look thumbnails and previews, including multi-structure previews.
Security-compliant sandboxed application, with hardened runtime and officially notarized by Apple. SingleCrystal works with system "Gatekeeper" to help keep your Mac safe from malware and viruses.
Beautiful New Interface. The program was designed to maximize your productivity, by placing controls at your fingertips, but without crowding the interface. The Patterns List, Reflexions List and Inspectors are all available in the main document window (and can be toggled open or closed). In addition, much functionality is available via popover windows.
Integrated document window with Patterns List, Reflexions List, Diffraction View, Stereogram View and Inspector.
Includes built-in colour themes: "Dark", "Light" and "CRT Green".
Peak tips, with expandable info display.
Stereogram Pole tips with View direction and editing shortcuts.
Preferences window with atomic scattering factor browser.
Multi-Pattern Design. SingleCrystal 4 lets you work with multiple simulated and observed patterns - all in the same document. Each pattern is represented by its own thumbnail, can be moved, copied, duplicated, or dragged into another document window.
Organise multiple patterns using the new Patterns List.
Quickly browse multiple patterns using arrow keys.
Lock individual patterns, to allow precise orientation control of domain boundaries, twins, etc.
Build New Simulations. SingleCrystal 4 lets you generate new diffraction simulations from scratch, thanks to its in-built crystal editor, which features full symmetry handling.
Create a new "crystal" pattern within the program.
Edit existing crystal structures, with complete control over symmetry, cell parameters - and all aspects of the asymmetric unit.
Visualize a crystal structure by sending its data directly to CrystalMaker by the new Visualize command.
Export crystal structures as CIF or CMTX files.
Advanced Picture Control. Whereas earlier versions of SingleCrystal treated observed diffraction patterns as mere pictures, SingleCrystal 4 now processes them at the pixel level. This means you can apply a range of image-processing options, including gradient display and intensity threshold settings.
Colourize images with variable transparency and custom tints.
Gradient display option: choose from a range of mono- or poly-chromatic gradients (each with a "reverse" option).
Specify minimum and maximum intensity thresholds; outliers can either be rendered transparent, or shown saturated. This allows you to make image backgrounds transparent, and/or to emphasize intensity changes by compressing the intensity gradient over a particular range.
Custom opacity control - allows you to stack multiple observed patterns.
Real-time image resolution/pixel-spacing and size controls (SingleCrystal will load images using their embedded resolution settings - but these can easily be overridden, if necessary).
Fast picture manipulation. Changing intensity thresholds and colour scales is designed for quick on-screen updates, with a deferred (background) refresh when needed.
Powerful Stereographic Projections. Stereographic projections are now fully customizable, with faster graphics and more-sophisticated multi-pole options.
Dedicated Stereogram Inspector with "mini stereogram".
Option to maximize or minimize the stereogram.
Poles List lets you browse your stereogram poles, with the option of grouping by symmetry or N-value, for easy control over visibility, colouring, etc.
Work with Miller-Bravais indices (trigonal and hexagonal systems).
Automatically colour poles by symmetry, N-value, pattern- or text colour.
Display Small Circles - with arbitrary angles (as well as Great Circles).
Compare multiple projection sets for multiple simulations.
New "Pole Tips" with view direction and editing shortcuts.
Wide range of display options, including background and major/minor stereonet options.
Haptic feedback makes it easier to locate existing poles in the stereogram, as well as feeling "notches" in the stereonet dial.
Angle Measurement: Individual stereogram poles can now be selected by clicking on them with the mouse. Shift-clicking allows up to two poles to be selected - and their included angle is then shown, graphically, in the form of a great circle, with a highlighted arc and angle measurement.
Real-Time Parameter Control. SingleCrystal provides a wide range of Inspectors for controlling all aspects of the diffraction simulation, pattern display, stereographic projections (and pole listing) - plus screen overlay tools.
A new "fast intensity mode" allows interactive control over many structural parameters, including cell parameters and site occupancies.
Simulation Inspector - with real-time control over experiment (wavelength/voltage, camera length/constant, beam convergence, etc.), detector (spot width, intensity saturation, gamma correction), sample thickness (for TEM simulations), unit cell parameters (including volume), plus all site occupancies.
Display Inspector - for interactive pattern colouring, systematic absence control, label plotting, positional parameters and background.
Stereogram Inspector - tabulate stereogram poles, with control over visibility, indices, plane/vector toggle, pole and labelling control, plus control over trace angle/visibility and colouring. Control all aspects of the stereographic projection, including line widths, pole sizes, labelling, fonts, etc.
Overlay Inspectors - individual inspectors for each of the overlay tools: Scale Bar, Ruler, Protractor and Grid.
Diffraction Profiles. Use the Ruler tool to define a cross section through one or more stacked diffraction patterns.
Ruler-controlled sections.
User-defined profile width (integrate over multiple pixels).
Invert option.
Live update option.
Interactive display in floating graph window.
Copy/export graphics.
Live Intensity Mode. When using SingleCrystal 4 with CrystalMaker 10.5 or later, you can directly link intensities in SingleCrystal to the crystal structure in CrystalMaker. This allows you to edit the crystal interactively in CrystalMaker (e.g., moving atoms by clicking-and-dragging them, editing their site occupancies) - and see the results directly in SingleCrystal.
CrystalMaker 10.5's new "Add" and "Replace" diffraction commands are now supported by SingleCrystal.
Structures Library. SingleCrystal includes an integrated library of 1000 crystal structures, ready for instant diffraction simulation. The structures can be browsed using the File > Add to Window submenu, or the Add popup in the window toolbar.
Structures can be browsed by folder, or in a flat view. They can be sorted by name, chemical formula, space group, density or unit cell volume. A search command lets you find structures by name, notes (embedded metadata) or chemical formula.
Gallery Window. This is a new window which, by default, appears at startup, in place of an empty document window. The window displays Examples, Recent Files, Tutorial Files, Documentation and Support links. The display section(s) can be explicitly set, using a Sidebar.
Undo Command. SingleCrystal now supports multiple "Undo" and "Redo" levels, per window. Because of the complexity of the operations involved, the program uses a cacheing mechanism. You can specify a maximum amount of disc space for this, via the General pane of the Preferences panel.
Kikuchi Lines. CrystalMaker can now simulate the effect of diffuse electron scattering in thick crystals that results in so-called "Kikuchi Lines". This is an option available for TEM simulations only. A new Kikuchi Lines group in the Simulation Inspector lets you control the intensity of the lines.
Note that Kikuchi Lines are (correctly) rendered as arcs, which can be seen as a subtle curvature, when zooming out to about 1% magnification.
Because rendering large numbers of Kikuchi Lines can be slow, a new preference has been added for a faster drawing mode; with this in effect, shaded lines are replaced by translucent lines, which are replotted at idle time.
Powder Diffraction Rings. In all simulation modes apart from Laue, it is now possible to simulate the effects of a polycrystalline sample. "Powder Mode" can be enabled or disabled using the Pattern menu, or via a checkbox in the new "Powder Mode" control group in the "Simulate" inspector, or via the Pattern menu. Particle size and strain can be adjusted using the slider controls. In addition, powder reflexions (i.e., those with the same d-spacing) are listed in the Reflexions List during Powder Mode.
Searchable Reflexions List. SingleCrystal 4 lets you keep track of your reflexions at all times, in the main document (earlier versions used a modal sheet or dialog), with a search capability.
Search field lets you quickly find a reflexion in the list. You can enter indices without spaces for simple reflexions (e.g., "111") but will require spaces for indices greater than 9, or for any negative indices).
Double-click a list row to show the corresponding reflexion on screen.
Filter the reflexions list to choose between Visible reflexions, all reflexions, and or systematic absences.
Plotted reflexions can be located in the reflexions list by using a button in the reflexion's Peak Tip popover.
Display the list in a horizontal or a vertical layout (the latter lets you maximize the number of reflexions shown).
Scale Bar. SingleCrystal 4 can display a scale bar showing your choice of screen units. You can drag the scale bar to different parts of the screen, edit its size (width and target length), as well as colouring and font size.
Preferences Panel. For the first time, you can review all of your SingleCrystal default settings, thanks to the tabbed Preferences panel. This includes general settings, simulation parameters, labelling-, colouring- and stereographic projection settings - as well as an integrated atomic scattering factors browsers (with graphical preview).
Other Changes.
Redesigned Grid. The Grid tool has been redesigned to make it much easier to use. The Grid is now inset within its outer parallelogram, so its outer points do not move when the number of divisions is changed. Extensive customization is now possible via a dedicated Grid Inspector.
Clearer Overlay Tools. SingleCrystal uses larger fonts, for easier display, and tools will resize in step with their text sizes - making it easier to measure complex patterns.
SingleCrystal 3's "status bar" buttons have been replaced by toolbar buttons for Magnification, Camera Length and Saturation. Note that these show drop-down menus, letting you apply preset values.
Detachable Rotator popover. You can use the Rotator popover to precisely rotate your crystals. Note that the rotator "belongs" to the particular document in which it was found - it cannot be used to control other windows.
Grid fitting results are displayed in a popup menu in the Grid Inspector. The orientation, and fitting error, is given for the top twenty orientations.
Miller-Bravais (4-index) notation is used in the Reflexions list, where appropriate.
New "Auto Saturate" intensity scaling option. This scales the plotted (screen) intensities to give an optimum (mean intensity) result.
Improved graphics display at low magnifications: peaks are corrected for the effects of magnification, giving a more realistic look.
Symbols used for systematic absences can now be scaled (previously, the symbols were always drawn at a constant size, which was based on the spot width). The opacity of the symbols can also now be set.
A progress bar is now shown during slow intensity calculations (the actual intensity calculations are now done in the background).
Unlike earlier versions of the software, diffraction patterns are now plotted using an absolute intensity scale, rather than a relative scale. This facilitates the comparison of intensities from different patterns. (Previously, screen intensities - that is the darkening of plotted points - were scaled relative to the most-intense reflexion for a particular structure.)
As part of the multi-pattern comparison, intensities are now shown per unit volume, rather than per unit cell. In other words, intensity is now proportional to the square of the structure factor divided by unit cell volume squared. (The structure factor is the amplitude scattered per unit cell, so we need to divide this by the unit volume.)
Screen intensities include a wavelength correction (absolute intensity has a dependence on λ3), so changing the wavelength in the program will result in changes to the screen display.
Because of the changes to the screen intensity algorithm, when opening SingleCrystal 2 or 3 document ("session files"), saved intensities are auto-scaled. This may result in a slightly different display compared to when the original file was saved.
Finally, please note that the changed Mac system requirements. The minimum version of MacOS is now 10.12 "Sierra". Earlier systems, including 10.10 "Yosemite" are no longer supported.