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This is a first step in cleaning up the semantic errors in checking. Restraints and constraints are specified by the refinement program/user, and thus not taken directly from the experimental data. They have therefore been changed to _type.purpose Number as they do not have an associated standard uncertainty; and _type.source has been set to 'Assigned' instead of 'Derived'.

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Looks good, thanks!

@vaitkus vaitkus merged commit 9a4f589 into COMCIFS:main Jan 23, 2026
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2 participants