PLAT024
PLAT024 Type_4 Check for required Friedel pair averaging Z<=Si (Obsolete 1/1/2011)
Averaging of Friedel pairs is strongly advised when indicated by a
large su on the Flack parameter. Large su values indicate that the
anomalous scattering power is too small in combination with the data
quality at hand to merit refinement with a non-averaged dataset. This
will generally be the case with MoKa datasets for structures containing
atoms not heavier than Si. The value of the Flack parameter will be
largely meaningless anyway for large su values.
Use MERG 3 or MERG 4 in case of refinement with the SHELXL97 program.
Non-compliance with the above for valid scientific reasons should be
discussed in detail in the experimental section of the paper.
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