checkCIF procedure
PLAT910
PLAT910 Type_3 Test for number of missing reflections below Theta(Min)
Possible causes: Experimental beamstop Theta(min) limit set too high; A large unit-cell causing reflections effected by the beamstop. A possible technical solution on CCD based equipment involves the collection of additional images with the detector at a larger distance from the crystal with the beamstop setting changed accordingly. Alternatively, a large number of low-order 'outlier' reflections might have been 'Omitted' deliberately from the (final) least-squares refinement. The test is against the actual Theta(Min) of the reflections in the '.fcf' file. See the '.ckf' file for details of the missing reflections. Good quality low order reflections might be relevant for SQUEEZE and similar solvent modelling refinement techniques.