Changed spotfinding gain to previous tested value for default DHFR da…

…taset
rs-station · Oct 4, 2023 · 1f8f46e · 1f8f46e
1 parent 54cfb33
commit 1f8f46e
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Showing 2 changed files with 4 additions and 3 deletions.
diff --git a/examples/pipeline.sh b/examples/pipeline.sh
@@ -22,7 +22,7 @@ dials.import geometry.scan.oscillation=0,1 \
     input.template=$FILE_INPUT_TEMPLATE
 
 # Get a monochromatic geometry model
-laue.initial_solution imported.expt spotfinder.spotfinder.threshold.dispersion.gain=0.3 \
+laue.initial_solution imported.expt spotfinder.spotfinder.threshold.dispersion.gain=0.45 \
     indexer.indexing.known_symmetry.space_group=19 \
     indexer.indexing.refinement_protocol.mode=refine_shells \
     indexer.refinement.parameterisation.auto_reduction.action=fix \
@@ -34,13 +34,14 @@ laue.sequence_to_stills monochromatic.*
 
 # Polychromatic pipeline
 N=12 # Max multiprocessing
-
 laue.optimize_indexing stills.* output.experiments="optimized.expt" output.reflections="optimized.refl" output.log="laue.optimize_indexing.log" wavelengths.lam_min=0.95 wavelengths.lam_max=1.15 n_proc=$N
 
+N=8 # Max multiprocessing
 laue.refine optimized.* output.experiments="poly_refined.expt" output.reflections="poly_refined.refl" output.log="laue.poly_refined.log" n_proc=$N
 
 laue.predict poly_refined.* output.reflections="predicted.refl" output.log="laue.predict.log" wavelengths.lam_min=0.95 wavelengths.lam_max=1.15 n_proc=$N
 
+N=4 # Max multiprocessing
 laue.integrate poly_refined.expt predicted.refl output.filename="integrated.mtz" output.log="laue.integrate.log" n_proc=$N
 
 # This is where laue_dials ends. The output file integrated.mtz can be merged in careless and refined in phenix to get a model
diff --git a/examples/tutorial.ipynb b/examples/tutorial.ipynb
@@ -98,7 +98,7 @@
     "%%time\n",
     "%%bash\n",
     "\n",
-    "laue.initial_solution imported.expt spotfinder.spotfinder.threshold.dispersion.gain=0.3 \\\n",
+    "laue.initial_solution imported.expt spotfinder.spotfinder.threshold.dispersion.gain=0.45 \\\n",
     "                                    indexer.indexing.known_symmetry.space_group=19 \\\n",
     "                                    indexer.indexing.refinement_protocol.mode=refine_shells \\\n",
     "                                    indexer.refinement.parameterisation.auto_reduction.action=fix \\\n",