checkCIF procedure

PLAT769

 The supplied '.cif' file contains explicit scattering factor data as values
 of their corresponding CIF datanames. Those scattering factor data are used by 
 PLATON/checkCIF for its validation calculations as opposed to using the
 neutral scattering factor data that are stored in PLATON (which are identical 
 to those stored internally in SHELXL). Those CIF reported values should be
 identical to those provided in the embedded '.res' file. 
 Current SHELXL versions do not copy scattering factor data that are
 explicitly included in the '.ins' instruction file into corresponding CIF
 data items. A reason for the use of non-default scattering factors can be
 the modelling of charged atoms in the refinement. Also, the PLATON build-in
 Peng (Micron 30(1999) 625-648) electron scattering factors might have been
 substituted by an alternative set.