dials / dials

Diffraction Integration for Advanced Light Sources
https://dials.github.io
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dials.reciprocal_lattice_viewer fails with data from split_experiments #905

Closed graeme-winter closed 8 months ago

graeme-winter commented 5 years ago
cd /dls/mx-scratch/xia2/issue-323/example01/NFF
mkdir work
cd work
mkdir 1 2 
cd 1
dials.import ../../NFF_01_00*cbf
dials.find_spots imported.expt nproc=20
cd ../2
dials.import ../../NFF_02_00*cbf
dials.find_spots imported.expt nproc=20
cd ../
dials.index 1/strong.refl 1/imported.expt 2/strong.refl 2/imported.expt 
dials.split_experiments indexed.*

gives split_(0,1).(expt,refl) -

Grey-Area work :( $ dials.reciprocal_lattice_viewer split_1.*
DIALS (2018) Acta Cryst. D74, 85-97. https://doi.org/10.1107/S2059798317017235
The following parameters have been modified:

input {
  experiments = split_1.expt
  reflections = split_1.refl
}

RuntimeError: min() argument is an empty array
Traceback (most recent call last):
  File "/Users/graeme/svn/cctbx/build/../modules/dials/command_line/reciprocal_lattice_viewer.py", line 79, in <module>
    run(sys.argv[1:])
  File "/Users/graeme/svn/cctbx/build/../modules/dials/command_line/reciprocal_lattice_viewer.py", line 71, in run
    f.load_models(experiments, reflections)
  File "/Users/graeme/svn/cctbx/modules/dials/util/reciprocal_lattice/viewer.py", line 85, in load_models
    Render3d.load_models(self, experiments, reflections)
  File "/Users/graeme/svn/cctbx/modules/dials/util/reciprocal_lattice/__init__.py", line 91, in load_models
    self.set_points()
  File "/Users/graeme/svn/cctbx/modules/dials/util/reciprocal_lattice/viewer.py", line 147, in set_points
    Render3d.set_points(self)
  File "/Users/graeme/svn/cctbx/modules/dials/util/reciprocal_lattice/__init__.py", line 178, in set_points
    self.settings.d_min = flex.min(d_spacings)
RuntimeError: min() argument is an empty array

on master

graeme-winter commented 5 years ago

FWIW the split_1.* file pair refine just fine but reciprocal lattice viewer on the refined.* output also explodes...

graeme-winter commented 5 years ago

Reverted fix in commit above as the treatment of integrated data now excludes unindexed reflections by default, as they do not have a matching image set.

Need to revisit this but I think that falls under the purview of #907

stale[bot] commented 4 years ago

This issue has been automatically marked as stale because it has not had recent activity. The label will be removed automatically if any activity occurs. Thank you for your contributions.

stale[bot] commented 1 year ago

This issue has been automatically marked as stale because it has not had recent activity. The label will be removed automatically if any activity occurs. Thank you for your contributions.

jbeilstenedmands commented 8 months ago

This issue of the crash on split_1.* is no longer present, possibly due to https://github.com/dials/dials/pull/1792 The issue of unindexed reflections not being kept in split experiments is known and being addressed by other issues/work, therefore closing this issue.