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Suggestion for new CIF data item

Status: Under review

A short term addition to the basic IUCr data name for the recording of constaints applied to a refinement in the format actually used by the program

Simple example:

RIDE C( 119,X'S) H(1191,X'S)
RIDE C( 120,X'S) H(1202,X'S) H(1201,X'S) H(1203,X'S)
RIDE C( 207,X'S) H(2071,X'S) H(2072,X'S)
RIDE C( 209,X'S) H(2091,X'S)
RIDE C( 210,X'S) H(2101,X'S)

Contributed by David Watkin on 13 Apr 2012

 

_iucr_refine_instruction_details_constraints

Definition:

 

Example:

Category:

 

Any other attributes suggested by the submitter are listed here: