[cctbxbb] Fwd: cctbx conventions

James Holton jmholton at lbl.gov
Mon Oct 8 11:49:47 PDT 2018


I'm pretty sure its a simple addition of the complex numbers: f0 + ( fp 
+ i*fpp )

Unless, of course, you are David Langs, who is one of a camp quite 
convinced that Bijvoet got it wrong.

Cheers,

-James


On 10/8/2018 7:32 AM, Graeme.Winter at Diamond.ac.uk wrote:
> HI Folks,
>
> Question from a colleague - any ideas?
>
> Many thanks Graeme
>
> Begin forwarded message:
>
> From: "Bombardi, Alessandro (DLSLtd,RAL,SCI)" <alessandro.bombardi at diamond.ac.uk<mailto:alessandro.bombardi at diamond.ac.uk>>
> Subject: cctbx conventions
> Date: 8 October 2018 at 14:54:10 BST
> To: "Winter, Graeme (DLSLtd,RAL,LSCI)" <Graeme.Winter at Diamond.ac.uk<mailto:Graeme.Winter at Diamond.ac.uk>>
>
> Hi Graeme,
>
> I am trying to understand the convention used by cctbx,
> for the anomalous part of the atomic scattering factor.
> Do you know if it is written as
> f+f'+if'' with f'' >0
>
> or with
>
> f+f'-if'' with f'' >0
>
> can you help me?
>
> All the best,
> Alessandro
>
>



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