checkCIF procedure
PLAT021
PLAT021 Type_4 Check expected number of reflections (Max = 1 Centro, 2 - non-centro)
The number of unique relections is the value reported in the CIF with the dataname '_reflns_number_total'. The expected number of reflections corresponds to that in the asymmetric unit of the Laue group. Expected ratio: less-or-equal 1 for centro symmetric structures and less than 2 for non-centrosymmetric structures. Reasons to exceed those numbers can be: 1 - Systematic absencies not omitted from the observed data count. 2 - Refinement with redundant (i.e. not merged/unique) data set. 3 - SHELXL HKLF 5 Refinement

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