CrystFEL .cell for hewl crystals
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clen_tools/crystfel_run.sh
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clen_tools/crystfel_run.sh
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/#!/bin/bash
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module purge
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module load crystfel/0.10.2
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indexamajig -i <path-to-images> \
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-o <output.steam> \
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--geometry=<path-to-geom> \
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--pdb=<path-to-cell> \
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--indexing=xgandalf-latt-cell \
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--peaks=peakfinder8 \
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--integration=rings-grad \
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--tolerance=10.0,10.0,10.0,2,3,2 \
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--threshold=10 \
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--min-snr=5 \
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--int-radius=3,5,1 \
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-j 36 \
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--no-multi \
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--no-retry \
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--check-peaks \
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--max-res=3000 \
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--min-pix-count=1 \
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--local-bg-radius=4 \
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--min-res=85
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clen_tools/hewl.cell
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clen_tools/hewl.cell
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CrystFEL unit cell file version 1.0
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lattice_type = tetragonal
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unique_axis = c
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centering = P
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a = 79.20 A
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b = 79.20 A
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c = 38.20 A
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al = 90.00 deg
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be = 90.00 deg
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ga = 90.00 deg
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