Thursday, 21 November 2013

Controlling XDS Refinement in Integration with Phil

By default in xia2 the REFINE= for integration refines ORIENTATION and CELL - however if you want to override this you can do so by using Phil parameters. Create a file




for example - and run with -phil whatever.phil. The former is the first pass, the second the pass when a refined orientation is used in case you want these to be different. You can select from ORIENTATION CELL BEAM DISTANCE AXIS - best to look at the XDS documentation if you want to change these.

In general you don't need to do this but some people would like the choice...

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