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Symmetry on limited range #1012

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merged 3 commits into from
Dec 5, 2019
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jbeilstenedmands
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@graeme-winter 's full rotation dataset, with this branch (on ws357)

time dials.symmetry  ''/dls/tmp/gw56/rerun-prot-k/work/DEFAULT/SAD/SWEEP1/integrate/13_integrated.expt'' ''/dls/tmp/gw56/rerun-prot-k/work/DEFAULT/SAD/SWEEP1/integrate/13_integrated.refl'' 'output.experiments='15_symmetrized.expt'' 'output.reflections='15_symmetrized.refl'' 'relative_length_tolerance=0.05' 'absolute_angle_tolerance=2' 'output.json='15_dials_symmetry.json'' exclude_images="0:7200:28800"

...

Recommended space group: P 41 21 2
Space group with equivalent score (enantiomorphic pair): P 43 21 2
Saving reindexed experiments to 15_symmetrized.expt in space group P 41 21 2
Saving 9017966 reindexed reflections to 15_symmetrized.refl

real	3m51.139s
user	1m33.316s
sys	0m40.116s

@graeme-winter
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@jbeilstenedmands looks like a superior solution - no idea why I did not think of taking a copy of the reflection list. Obviously PR still draft but looks like you are headed in a good direction with this.

@jbeilstenedmands jbeilstenedmands marked this pull request as ready for review November 15, 2019 10:05
@graeme-winter graeme-winter mentioned this pull request Dec 3, 2019
@Anthchirp Anthchirp added this to the DIALS 2.1 milestone Dec 4, 2019
@jbeilstenedmands jbeilstenedmands merged commit b979c7a into master Dec 5, 2019
@jbeilstenedmands jbeilstenedmands deleted the symmetry_on_limited_range branch December 5, 2019 09:19
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3 participants