[phenixbb] geometry weight optimization with mlhl target

Mooers, Blaine H.M. (HSC) Blaine-Mooers at ouhsc.edu
Fri May 4 09:07:20 PDT 2012

Hi Pavel,

I re-examined by command file and found a typo. 
I am now optimizing the geometry with the mlhl target. 

Best regards,


On May 4, 2012, at 3:44 AM, Pavel Afonine wrote:

> Hi Blaine,
> I'm not sure I understand what's happening. The target weights 
> optimization is totally disconnected from target type, that is it should 
> work with any target: LS, ML, MLHL, etc.
> Could you please send me all necessary inputs and explain how you run 
> refinement so I can reproduce this myself?
> Thanks,
> Pavel
> On 5/3/12 2:27 AM, Mooers, Blaine H.M. (HSC) wrote:
>> Dear Phenixbb,
>> How does one optimize geometry when using the mlhl target in
>> refinement with Henderson-Lattman coefficients in the input reflection 
>> file?
>> The wxc_scale keyword is not recognized when I used the mlhl target, 
>> but it is recognized when
>> I use the ml target by setting main.use_experimental_phases=false.
>> Blaine
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