added some instructions

This commit is contained in:
Beale John Henry
2024-02-01 09:08:04 +01:00
parent 4724939a6c
commit 88ce19d2d0

View File

@@ -1,7 +1,13 @@
#!/bin/bash
module purge
module load crystfel/0.10.2
module use MX unstable
module load crystfel/0.10.2-rhel8
# add path to images
# add output stream name
# add path to cell
# change threshold to 3000 if at Alvra
indexamajig -i <path-to-images> \
-o <output.steam> \
@@ -9,14 +15,14 @@ indexamajig -i <path-to-images> \
--pdb=<path-to-cell> \
--indexing=xgandalf-latt-cell \
--peaks=peakfinder8 \
--integration=rings-nograd \
--integration=rings-nograd-nocen \
--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 \
--multi \
--retry \
--check-peaks \
--max-res=3000 \
--min-pix-count=2 \