checkCIF procedure

PLAT929


PLAT929 Type_5 Test for interpretable weight parameters for R1, wR2 & S comparison
 SHELXL weight parameters are expected to be given in the format below: 
 _refine_ls_weighting_details   
 'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
 JANA style weighting is expected to be given in the format:   
 _refine_ls_weighting_details 'w=1/(\s^2^(I)+0.0016I^2^)'   
  Do not edit this string or make it into a text block between ';'. 
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