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Analysis code for: Convergent-Beam Serial Crystallography at SPB using the Jungfrau detector

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Ananysis code for p004456

Experiment directory:

/gpfs/exfel/exp/SPB/202302/p004456

Put personal analysis code in usr/Shared, e.g. for user "amorgan"

/gpfs/exfel/exp/SPB/202302/p004456/usr/Shared/amorgan

Put any analysis files (bigger than a few megabytes) in /scratch:

/gpfs/exfel/exp/SPB/202302/p004456/scratch

analysis goals:

  • VDS: virtual h5 files that put all processed module data into a single cxi file.
    • e.g. sbatch --array=5 offline/slurm/vds_array.sh to generate a vds file for run 5 from processed data.
  • Generate powder pattern
    • e.g. sbatch --array=40 offline/slurm/powder_sum_array.sh to sum all frames in run 40 using vds file.
  • Get initial geometry (and test with extra-geom)
    • There is a usr/geometry/geom_v5.geom crystFEL geom file (probably from Oleksandr).
    • To have a look python tests/test_geom.py (output below)
  • Jungfrau mask maker
    • Example python offline/tools/maskmaker.py /gpfs/exfel/exp/SPB/202302/p004456/scratch/powder/powder_r0040.h5/data
  • Calculate number, location and intensity of streaks
    • Example sbatch --array=40 offline/slurm/streak_finder.sh. This outputs an "events" file here:
      h5ls -r /p004456/scratch/events/events_r0040.h5
      /                        Group
      /litpixels               Dataset {6066}
      /streak_list             Dataset {80173/Inf}
      /streaks                 Dataset {6066}
      /total_intens            Dataset {6066}
      
  • Generate streakogram, and virtual powder from above
    • Example python offline/streaks_powder_plotter.py -e "/gpfs/exfel/u/scratch/SPB/202302/p004456/events/events_r0040.h5" -g "/gpfs/exfel/exp/XMPL/201750/p700000/proc/r0040/j4m-p2805_v03.geom" will create events_r0040.streaks_powder_plot.png and events_r0040.streakogram_plot.png in folder /gpfs/exfel/u/scratch/SPB/202302/p004456/events/
  • Save hits to cxi file
  • Write cxi file from scan runs, for the purpose of speckle-tracking
    • It seems Margarita already has a means of streaming scan data, with a modified scan log, to the ST software. It would be nice to include this code here.

powder run 40 (test data)

powder_r0040.h5

mask maker 40 (test data)

mask_maker

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Analysis code for: Convergent-Beam Serial Crystallography at SPB using the Jungfrau detector

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