[sharp-discuss] Simple Q: FP,SIGFP in solvent flattened .mtz

[Francis E Reyes]

And an additional question:

When you say 'taking into account HA substitution', are the contributions to the heavy atoms removed so I should not see heavy atoms in my maps when I refine against FPsha/SIGFPsha,HL's (solvent flattened)?


On Aug 16, 2011, at 11:03 AM, Francis E Reyes wrote:

> Clemens,
> 
> Thanks for the reply.
> 
> 
> When using FPsha/SIGFPsha, I imagine those are recalculated with every SHARP run? i.e. If I refine a model against a set of experimental phases, rerun sharp (calculating the phases from the updated model and combining them with the new sharp phases), FPsha/SIGFPsha will be different from experimental phases used to refine the model ?
> 
> 
> 
> Thanks!
> F
> 
> On Aug 15, 2011, at 1:41 AM, Clemens Vonrhein wrote:
>> * only FP/SIGFP (or FPsha/SIGFPsha) are in sync with the HLA-HLD:
>> important for phase-combination during density modification or when
>> refining including those phase probabilities.
> 
>> * if you did refine against these FPsha/SIGFPsha: tricky to put values
>> into table 1 or REMARK 200. You might want to switch at the end to a
>> 'real' dataset to refine against (for which you then also have
>> statistics to put into REMARK 200).
> 
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