[phenixbb] scattering factors

Ralf Grosse-Kunstleve rwgrosse-kunstleve at lbl.gov
Fri Jun 17 11:25:29 PDT 2011


Hi Andy,

> Is it possible yet to incorporate user-defined custom X-ray scattering factors?

No, sorry, we never got to it.
But we added a table of electron scattering factors:

http://cci.lbl.gov/cctbx_sources/cctbx/eltbx/e_scattering.py

Is this the right table for your purposes?

Your question reminded me to add "electron" as a possible choice for the

refinement.main.scattering_table=electron

parameter, which enables use of the table above. This will be in the
next development build (phenix dev-791 or higher).

Ralf


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