diff --git a/reduction_tools/crystfel_run.sh b/reduction_tools/crystfel_run.sh index c6aacca..32417b4 100644 --- a/reduction_tools/crystfel_run.sh +++ b/reduction_tools/crystfel_run.sh @@ -1,25 +1,25 @@ -/#!/bin/bash +#!/bin/bash module purge module load crystfel/0.10.2 -indexamajig -i \ - -o \ - --geometry= \ - --pdb= \ +indexamajig -i \ # change this + -o \ # change this + --geometry= \ # change this + --pdb= \ # change this --indexing=xgandalf-latt-cell \ --peaks=peakfinder8 \ --integration=rings-grad \ --tolerance=10.0,10.0,10.0,2,3,2 \ --threshold=10 \ --min-snr=5 \ - --int-radius=3,5,1 \ - -j 36 \ + --int-radius=3,5,9 \ + -j 32 \ --no-multi \ --no-retry \ --check-peaks \ --max-res=3000 \ - --min-pix-count=1 \ + --min-pix-count=2 \ --local-bg-radius=4 \ --min-res=85