[phenixbb] How to define Fobs labels for phenix.refine in command line mode

Karthikeyan Subramanian skarthik14 at gmail.com
Tue Sep 27 08:33:46 PDT 2016


Thank you Phil, it worked....

With regards

Karthik


On 27-09-2016 08:44 PM, Phil Jeffrey wrote:
> Try something in the form of:
>
> refinement.input.xray_data.labels="Fobs,SigFobs"
>
> usually if you make a guess and do:
>
> phenix.refine labels="Fobs"
> it'll return the list of possibilities:
> Best matches:
>   refinement.input.neutron_data.labels
>   refinement.input.xray_data.labels
>   refinement.input.experimental_phases.labels
>
> although looking through the .eff/.def files will often make it clear.
>
> Cheers
> Phil Jeffrey
> Princeton
>
> On 9/27/16 11:00 AM, Karthikeyan Subramanian wrote:
>> Dear All,
>>
>> Is it possible to define the Fobs (or) Iobs labels for phenix.refine in
>> command line mode?
>>
>> Thanks
>>
>> Karthikeyan S.
>>
>> IMTECH, Chandigarh
>>
>> India
>

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