Re: [sdpd] error measurements

[cockcroft...@gordon.cryst.bbk.ac.uk]

To add to my recent comments, I disagree with quoting Rp (as used 
in the original JAC paper) - weights should be used - especially when
X-ray data is collected repeatedly at higher two-theta angles so
as to improve statistics. So I disagree with you, Peter Zavalij, re the
use of Rp. I would also add that R-factors based on both total peak
intensities and structure factors-squared are also useful, but they
should be treated with some caution if the data has been collected for
different time periods for different two-theta ranges (since they are
difficult to weight properly).
  Jeremy Karl Cockcroft
  School of Crystallography, Birkbeck College, UK.