search site  |  contact us  HOME PRODUCTS DOWNLOADS SALES SUPPORT NEWS CrystalDiffract 5.0 Very Versatile Visualization 18 January 2005. CrystalMaker Software is pleased to announce the immediate availability of CrystalDiffract 5.0: a major update of their powder diffraction software for Mac OS X. Nearly three years after the launch of its previous version, the new, CrystalDiffract 5.0 for Mac OS X delivers incredible versatility, with its multi-phase structure visualization, mixture simulation, library browsing and data organization tools. Visualize Multiple Patterns Previous versions of CrystalDiffract limited you to one calculated diffraction pattern and one observed pattern (Pro version) per window. CrystalDiffract 5 blows these limits away, allowing virtually unlimited numbers of diffraction patterns to be displayed in the same window. The program uses dynamical memory to ensure that optimal use of memory is made at all times. CrystalDiffract 5 runs on Mac OS X 10.2 or later. Virtually-unlimited numbers of diffraction patterns can be viewed in the same window. You can add additional diffraction patterns to an existing window simply by dragging-and-dropping files into the window, or turning on checkboxes in the Structures List. You can also use the File > Open in Same Window menu command. You can load multiple observed and calculated diffraction patterns, view them individually, or at the click of a button combine all calculated patterns into a single, simulated "mixture", and combine all observed patterns into a single pattern. Once loaded, simulated crystals and observed datasets remain in memory, even if you "turn off" a particular diffraction pattern. This means that you can quickly show or hide diffraction patterns from multiple materials. Individual Plot and Parameter Control CrystalDiffract provides extensive control of plot styles, colours, xy offsets and diffraction parameters. With version 5.0, different settings can be applied to different diffraction patterns, by selecting one or more patterns and choosing the appropriate menu, parameter or button commands. Patterns can be selected by clicking their names in the Structures drawer, or by clicking on a graph in the Graphics pane, or on a caption in Film mode. You can edit colours, line widths, plot styles, label settings and so on, for selected diffraction patterns - independently of any other plotted patterns. Various parameters, including sample size and strain effects, can be applied to selected diffraction patterns - allowing you to display different parameter settings for different diffraction patterns. In Film mode, multiple diffraction patterns are displayed stacked above each other - a great way of comparing films! In Graph mode, you can stack patterns using the Plot > Stack command, which will neatly arrange all patterns. Use the Plot > Collapse command to reset all y-offsets to zero. You can change the plot order of both observed and calculated data, by bringing selected patterns to the "front" (Pattern > Bring to Front) or sending them to the "back" (Pattern > Send to Back). This also allows you to interleave multiple observed and calculated data sets. Use the Structures List to select one or more diffraction patterns, in order to apply plot and parameter settings. Simulating a structural phase transition for one of two displayed powder patterns. The lower pattern is being edited in real time, using the Parameters control to simulate an orthorhombic lattice distortion. Save Your Work CrystalDiffract provides new capabilities for recording your favourite settings and saving a window's workflow. CrystalDiffract 5 uses a powerful and flexible new file format to save your work. These new "session" files store full details of a window's diffraction experiment, including all calculated and observed datasets - in a single file. You no longer have to keep track of multiple CrystalMaker binary files, or observed data files; everything you need is available in a single CrystalDiffract 5 session file (file type 'CRDF'; file extension 'crdf'). The CrystalDiffract > Preferences command displays a tabbed dialog, letting you inspect your current preferences, make changes, restore the "factory" defaults, and save any changes. Preferences are saved to a new, extendable file format, allowing new features and options to be introduced in future program versions. CrystalDiffract 5 saves window sessions in new, self-contained files - so you don't have to keep track of all your source files. New Interface CrystalDiffract 5 has an entirely new interface, featuring a new toolbar with button and icon controls, a vastly-improved Parameters List, new Structures Drawer, revised menu layout, new keyboard shortcuts, and much more... The Structures Drawer can hold virtually unlimited numbers of files (compared with just 100 in previous versions). You can drag your entire structures library folder into the drawer, to quickly scan through files. The Structures List supports mousewheel scrolling, as well as keyboard navigation and selection. Multiple files can be selected by shift- or command-clicking. A new Action menu allows groups of selected files to be loaded as diffration patterns. When loaded, individual structures can be coloured by clicking on their colour swatches and choosing a new colour from the popup menu, or by specifing a colour using the Set command. The Structures Drawer allows you to quickly browser multiple patterns in your entire CrystalMaker Structures Library. Yet More Changes New Graph Styles. Graphs can be displayed using a wide range of plot styles, including dashed and solid lines, markers (crosses, squares, circles), translucent and solid fill effects. Improved Graph and Film legends. Graph legends are drawn on a translucent background, using smoothed text and markers. Film captions are drawn over the appropriate film strip, with selected diffraction patterns marked out in the highlight colour. Auto-Colorize Command. The Actions menu in the Structures Drawer contains an Auto-Colorize command which automatically assigns different colours to all plotted diffraction patterns, with a range of hues from pure red to cyan. Single-Structure Viewing Option. You can quickly scan through multiple diffraction patterns, displaying one at a time, by option-clicking the diffraction checkboxes in the Structures List. Unicode Filename Support. Long filenames and unicode characters are now fully supported. Filenames are displayed in the Structures drawer, Info display and data captions - truncated, if necessary. Mouse Wheel Support. The Parameters pane now has mouse wheel support. In the Graphics pane, you can expand the y-scale using the mouse wheel, and scroll the x-axis by holding down the shift key whilst turning the mouse wheel. Auto-deletion of CrystalMaker transfer files. Temporary "transfer" files, created by CrystalMaker for sending diffraction data to CrystalDiffract, are now automatically deleted after use. Structural data are now cached in memory, so the program does not have to rely on source files to regenerate diffraction patterns and mixtures. Extended User's Guide. The CrystalDiffract User's Guide has been completely rewritten for version 5. The guide is now longer, better illustrated, and for the first time features a tutorial - designed to quickly familiarise new users with the program's features. The user's guide is available from the program's Help menu. A wide range of graph styles is now available - for both observed and calculated diffraction patterns. Product information Download Demo Version Purchase or Upgrade CrystalDiffract © 2008 CrystalMaker Software Limited. All rights reserved worldwide.