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Add reprocessing support for shelxt downstream pipeline Docker Image CI #29: Commit 9bd3fbc pushed by isikhar
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Modify allowed proposals for trigger_xchem Docker Image CI #28: Commit 3fa0f84 pushed by rowanwalker96
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Update all pkg_resources references to use importlib Docker Image CI #27: Commit 4e8ec90 pushed by ndevenish
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Disable redundant logging for queued IRIS jobs Docker Image CI #26: Commit 7cf6277 pushed by isikhar
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Fix env variable substitution in big ep trigger (#342) Docker Image CI #25: Commit 40b66b1 pushed by pblowey
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Add rounding to fix logging threshold condition Docker Image CI #24: Commit cdabe46 pushed by isikhar
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Reduce CloudWatcher service logging rate Docker Image CI #23: Commit 4e2a039 pushed by isikhar
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Generalise multiplex triggering behaviour to enable multiplex cluster… Docker Image CI #22: Commit b0be54c pushed by amyjaynethompson
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Score all ligands and merge best (PanDDA2) Docker Image CI #21: Commit e18819e pushed by rowanwalker96
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OpenBind processing update (#339) Docker Image CI #20: Commit 1f43fe8 pushed by rowanwalker96
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Check that whole metal_id prefix matches (#338) Docker Image CI #19: Commit b61ba59 pushed by pblowey
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Pass upstream mtz file to pipedream Docker Image CI #18: Commit 829bc26 pushed by rowanwalker96
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Pipedream trigger minor fix Docker Image CI #17: Commit 7734694 pushed by rowanwalker96
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Run data reduction for Characterization dcclass as priority Docker Image CI #16: Commit 370d49d pushed by isikhar
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Pipedream for XChem/OpenBind (#333) Docker Image CI #15: Commit a6161f2 pushed by rowanwalker96
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Fix screening tests (#335) Docker Image CI #14: Commit dabc381 pushed by pblowey
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Add symmetry info to xoalign output (#334) Docker Image CI #13: Commit 0f3d595 pushed by pblowey
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Register strategies as autoproc program (#325) Docker Image CI #12: Commit bceacf8 pushed by pblowey
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Remove apo datasets from PanDDA2 analysis Docker Image CI #11: Commit 6b3ed37 pushed by rowanwalker96
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Use Rhofit for PanDDA2 autobuilding Docker Image CI #10: Commit 818a260 pushed by rowanwalker96
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Modify PanDDA2 run command Docker Image CI #9: Commit 2844781 pushed by rowanwalker96
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Move ligand_fit html generation to dlstbx Docker Image CI #8: Commit 762edbe pushed by rowanwalker96
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Fix trigger_xchem logic Docker Image CI #7: Commit 97d7ebd pushed by rowanwalker96
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Handle data collections without labxchem directory in trigger_xchem Docker Image CI #6: Commit c0867bc pushed by rowanwalker96
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Upload ligand_fit files despite fitting quality Docker Image CI #5: Commit 33daa9d pushed by rowanwalker96
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