checkCIF procedure
PLAT090
PLAT090 Type_3 Test for reasonable data / parameter ratio (non-centro) (Zmax > 18)
The data/parameter ratio of a quality structure determination in a non-centrosymmetric space-group containing atoms with Z greater than 18 is expected to be higher than 8. This ratio can be improved by refining Hydrogen atoms bonded to Carbon riding on their carrier atom. The number of reflections used in this ratio is that of the Laue averaged set. The validation test criteria used are expected to be met with a dataset complete with a resolution sin(theta)/lambda >= 0.6 Ang-1. Hydrogen atom parameters are often meaningfully refined with OLEX2/NoSphereA2 non-spherical scattering factors. In that case a G-Alert is issued with data resolution >= 0.6 Ang-1 and data/parameter ratio > 5 and <= 8.

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