[phenixbb] neutron scattering table for specific metal isotope

Pavel Afonine pafonine at lbl.gov
Wed Dec 3 18:16:07 PST 2014

Hi Maxime,

> I would like to alter the neutron scattering table for phenix.refine 
> so that it takes into account the correct bcoherent value for the 
> metal isotope present in my structure. the difference is significative 
> between the natural occurence bcoh...
> i have been looking around in chem_data but could not find the neutron 
> scattering tables.
> does anyone have any idea where to look please?


Note, this is c++ file, so once you change it you will have to recompile 
everything for the change to take effect.

Could you please provide more details and explain what the problem is? 
Also, it's best if you send me actual example (off mailing list, to my 
email directly): data and model files. I believe this can be solved on 
our (Phenix developers) side so that you or others never need to alter 
the code again to address this problem.


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