ASYM-EXPECT

PLATON HOMEPAGE

ASYM EXPECTED REFLECTION COUNT

This function calculates the exact number of reflections in the asymmetric unit for a given (e.g. in the CIF) theta-max.

In non-centrosymmetric structures both the total number of reflections in the asymmetric unit (including Friedel/Bijvoet related reflections) and the number of 'Friedel-averaged' reflections are given.

Systematic absences are not included in these counts.

An approximate count as a function of theta is generated with the EXPECT-HKL function.

ASYM-EXPECT is run automatically as part of the PLATON/CALC instruction and as part of the VALIDATION check.

19-apr-1999 A.L.Spek