Troubleshooting
Why can't I resize a window correctly? If you have tried to resize a window and it has suddenly become much smaller, the explanation is probably that CrystalMaker did not have enough memory to create a window that big.
Try reducing the number of open diffraction windows and/or reducing their sizes.
Why can't I select a tool? The tools are only active when a diffraction window is open.
Why can't I open a file? CrystalDiffract will only allow you to open CrystalMaker binary files. Any other file types (e.g., text files) cannot opened.
This version of CrystalDiffract requires that input files are in CrystalMaker-2, or later, format. Data files generated by earlier versions of CrystalMaker cannot be read. (You should read these files into a recent version of CrystalMaker and re-save them in an up-to-date format.)
Why can't I save a file? CrystalDiffract will read from CrystalMaker binary files, but it does not write to them. There is no save command.
However, you can export diffraction data, using one of the two Export commands on the File menu.
Why can't I edit atomic coordinates? Sorry, CrystalDiffract will not let you edit atomic coordinates.
We consider that it is best that you edit atomic coordinates when the full crystal structure is visible onscreen - in CrystalMaker. If you have CrystalMaker version 3, or later, you can easily switch between CrystalMaker and CrystalDiffract with a single menu command. This makes it easy to edit a structure in CrystalMaker, and immediately see its diffraction pattern in CrystalDiffract!
Why aren't all my peaks indexed when I select the Plot > Show hkl command? The Label Peak Threshold sub-menu allows you to specify a minimum percentage value, above which peaks will be indexed. Peaks whose heights fall below this value (which is relative to the current y-axis maximum) will not be plotted. This makes it faster to "index" complex structures - and also makes for a tidier display, with fewer overlapping labels.
If you need more peaks labelled, select a smaller label peak threshold value.
Plotting a diffraction patterns takes a long time - especially with text labels. You need to increase the Label Peak Threshold, so that fewer peaks are indexed.
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