checkCIF procedure
PLAT027
PLAT027 Type_3 Check _diffrn_reflns_theta_full
Ideally (and a requirement for publication in Acta Crystallographica),
the dataset should be essentially complete, as defined by
'_diffrn_measured_fraction_theta_full' (close to 1.0), up to
sin(theta)/lambda = 0.6 (i.e. 25.24 degrees MoKa).
The three major causes of incomplete data sets are:
1 - A missing cusp of data due to data collection by rotation around
the spindle axis only (standard on some image-plate systems).
Cure: collect an additional data set after remounting the crystal.
2 - The DENZO image processing package has problems with certain strong
reflections. They are often excluded from the data set.
Cure: Add an additional scan at lower power setting in order to include
strong low order reflections.
3 - Incomplete scans.

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