Wednesday, 2 February 2011

Contemplations on ice

So, had a request to be able to explicitly exclude ice ring regions from diffraction images in processing. In the first instance I have added a -ice command-line option which will use the following hard-coded ice ring regions, from the XDS documentation:

3.93 3.87 !ice-ring at 3.897 Angstrom
3.70 3.64 !ice-ring at 3.669 Angstrom
3.47 3.41 !ice-ring at 3.441 Angstrom
2.70 2.64 !ice-ring at 2.671 Angstrom
2.28 2.22 !ice-ring at 2.249 Angstrom

These are listed in $XIA2_ROOT/Data/ice-rings.dat, so I guess you could fiddle with them if you wanted. Perhaps a better way would be to specify explicitly regions to exclude. Comments anyone?

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