Ethan Merritt wrote:
Please also have a look at
A Olczak, M Cianci, Q Hao, PJ Rizkallah, J Raferty, & JR Helliwell (2003).
"S-SWAT (softer single-wavelength anomalous technique)"
Acta Cryst. A59, 327-334.
in which the authors show several derivations for the estimated
anomalous signal, based on slightly different assumptions.
And the generalization of their formulae is given in :
Flack, H. D. & Shmueli, U. (2007). Acta Cryst. A63, 257-265.
In a follow-up paper, their derivations were extended to all
spacegroups, also taking account of special reflections.
--
Marc SCHILTZ http://lcr.epfl.ch
