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crystfel_tools/reduction_tools/crystfel_run.sh
2023-11-03 08:46:42 +01:00

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#!/bin/bash
module purge
module load crystfel/0.10.2
indexamajig -i <path-to-images> \
-o <output.steam> \
--geometry=<path-to-geom> \
--pdb=<path-to-cell> \
--indexing=xgandalf-latt-cell \
--peaks=peakfinder8 \
--integration=rings-nograd \
--tolerance=10.0,10.0,10.0,2,3,2 \
--threshold=10 \
--min-snr=5 \
--int-radius=5,5,9 \
-j 32 \
--no-multi \
--no-retry \
--check-peaks \
--max-res=3000 \
--min-pix-count=2 \
--local-bg-radius=4 \
--min-res=85