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DIALS 3.16.1
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Bugfixes
--------

- ``dials.merge``: Fix potential for crash with ``r_free_flags.extend=True``, if there is no new flags to extend.
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DiamondLightSource-build-server committed Sep 5, 2023
2 parents a309fad + e53d1a1 commit f88b4b9
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9 changes: 9 additions & 0 deletions CHANGELOG.rst
Original file line number Diff line number Diff line change
@@ -1,3 +1,12 @@
DIALS 3.16.1 (2023-09-05)
=========================

Bugfixes
--------

- ``dials.merge``: Fix potential for crash with ``r_free_flags.extend=True``, if there is no new flags to extend. (`#2491 <https://github.com/dials/dials/issues/2491>`_)


DIALS 3.16.0 (2023-08-14)
=========================

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19 changes: 10 additions & 9 deletions src/dials/algorithms/merging/merge.py
Original file line number Diff line number Diff line change
Expand Up @@ -617,15 +617,16 @@ def r_free_flags_from_reference(
flag_format = "ccp4"
else:
flag_format = "cns"
missing_flags = missing_set.generate_r_free_flags(
fraction=params.r_free_flags.fraction,
max_free=2000,
lattice_symmetry_max_delta=5.0,
use_lattice_symmetry=params.r_free_flags.use_lattice_symmetry,
n_shells=params.r_free_flags.n_shells,
format=flag_format,
)
r_free_array = r_free_array.concatenate(other=missing_flags)
if missing_set.size():
missing_flags = missing_set.generate_r_free_flags(
fraction=params.r_free_flags.fraction,
max_free=2000,
lattice_symmetry_max_delta=5.0,
use_lattice_symmetry=params.r_free_flags.use_lattice_symmetry,
n_shells=params.r_free_flags.n_shells,
format=flag_format,
)
r_free_array = r_free_array.concatenate(other=missing_flags)

return r_free_array

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