Re: [phenixbb] scattering factors

Thanks for replying to me. I believe I have the 5 Gaussian approximation for the values of a1-a4, b1-b4, and c for electron scattering factors. I think this is the same format as in the International Table volume 4.

Yes, that sounds right.

I haven't been able to locate a library file in phenix directory so I presume that the information is incorporated into the codes or in cctbx.

The coefficients are mostly pulled from various compiled-in tables in cctbx/eltbx/xray_scattering, but sometimes from other sources. We need to add new phenix.refine parameters that can be used to override the table lookups. A good Python programmer could probably insert shortcuts. Are you familiar with Python programming? Ralf