A script for finding crystal orientation from a couple of wedges.
East requires a recent build of DIALS and uses the included Python interpreter to run. Do not try to run East with your own Python interpreter.
East only needs two pieces of info to refine a scan static model of crystal geometry.
Firstly, an appropriate gain setting must be supplied using the -g option.
The gain is available from the detector manufacturer.
For photon counting detectors (Dectris Pilatus or Eiger), 1 is the optimal gain setting.
A space group number which is an integer suppplid with the -s flag.
For instance, -s 19 for P212121.
6 is a reasonable gain setting for the included sample data which is two wedges in space group 19. To run east, just type:
./east -s 19 -g 6. data/A1_0deg_1_000??.mccd data/A1_90deg_2_000??.mccd
to output the following analysis:
Analysis of wedge starting with image: /home/kmdalton/opt/east/data2/A1_0deg_1_00001.mccd
goniometer rotation axis: (1.0, 0.0, 0.0)
incoming beam wavevector: (-0.00039032492293883766, 0.0, -0.8368269953886467)
first image phi: 81.02
Real space axes at phi:81.02
A axis: -51.387, 2.823, -4.439
B axis: 6.252, 22.047, -58.353
C axis: -1.454, -65.830, -25.027
Analysis of wedge starting with image: /home/kmdalton/opt/east/data2/A1_90deg_2_00001.mccd
goniometer rotation axis: (1.0, 0.0, 0.0)
incoming beam wavevector: (-0.00039032492293883766, 0.0, -0.8368269953886467)
first image phi: 171.02
Real space axes at phi:171.02
A axis: -51.387, 4.439, 2.823
B axis: 6.252, 58.353, 22.047
C axis: -1.454, 25.027, -65.830
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