Data Processing at SACLA: Difference between revisions
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dials.index strong.pickle datablock.json | dials.index strong.pickle datablock.json | ||
--> indexed.pickle experiments.json | --> indexed.pickle experiments.json | ||
dials.refine | |||
--> refined_experiments.json refined_reflections.pickle | |||
dials.integrate | |||
== Aggregate processing at XFELS == | == Aggregate processing at XFELS == | ||
Need to submit a single job for each *.h5 file (manually, or write a script) | |||
Instead of running the individual steps: | |||
dials.stills_process *.h5 process.phil | |||
Phil file must have good parameters for data processing. Take one from previous users. | |||
Revision as of 22:21, 17 November 2017
Obtaining metadata like detector position
1) AgBeh (silver behenate). Determine detector distance and beam center --> update SACLA-provided *.geom file (CrystFEL format) --> run sacla geom to json on *.geom to get equivalent for DIALS processing
DIALS workflow
dials.import file.h5 (the h5 will have 1000's of images in it) --> datablock.json. Has experimental models as abstracted from image header
dials.find_spots datablock.json --> strong.pickle
dials.index strong.pickle datablock.json --> indexed.pickle experiments.json
dials.refine --> refined_experiments.json refined_reflections.pickle
dials.integrate
Aggregate processing at XFELS
Need to submit a single job for each *.h5 file (manually, or write a script) Instead of running the individual steps: dials.stills_process *.h5 process.phil
Phil file must have good parameters for data processing. Take one from previous users.