Using Refined Geometry

From time to time you may be faced with a situation where the geometric description of the experiment was not quite right, and you know you have data where you can refine it but want to apply this refinement to another data set. With DIALS, you can. Here's how.

First following the usual recipes get to the point of having the "reference" data processed i.e. some refined_experiments.json file available. You can then fold this information back in with dials.import:

dials.import datablock=../demo/datablock.json \

reference_geometry=../demo/experiments_3.json 

that way when you use the geometry in index it's using the refined geometry. It also shows the neat import datablock from datablock feature - you could just as well have passed a path to the images here. If you have got this refined geometry from a previous look at this data then you can just recycle the strong spot pickle file and rerun indexing, as I did in previous post...

By way of an aside, if you are off to a beamline to record some hard to process data it is well worth taking some nice crystals along i.e. insulin, thaumatin, and recording a calibration set at the same distance and wavelength you will use for the hard experiments. BTW the xia2 equivalent is:

reference_geometry=../demo/experiments_3.json

So you don't even need to do the processing by hand...