[phenixbb] symmetry file for Phenix merging statistics

Pavel Afonine pafonine at lbl.gov
Mon Aug 3 07:46:48 PDT 2015


Hi Xiao,

now I would try with providing the crystal symmetry information, space 
group and unit cell.

Pavel

On 8/3/15 07:42, Xiao Lei wrote:
> Hi Pavel,
>
> Thanks for your information. I tried it without giving the symmetry 
> file and I failed with an error message immediately after I click 
> "run".  It says "Phenix error: missing unit cell information".
>
> Xiao
>
> On Sat, Aug 1, 2015 at 5:27 PM, Pavel Afonine <pafonine at lbl.gov 
> <mailto:pafonine at lbl.gov>> wrote:
>
>     Hi Xiao,
>
>     if you run phenix.merging_statistics without giving it arguments
>     it will print out available parameters that you can change. Among
>     them are unit_cell and space_group.
>
>     I'm guessing you can define them just like this
>
>     unit_cell="10,20,30,90,90,90"
>     space_group="P212121"
>
>     Pavel
>
>
>     On 7/30/15 16:56, Xiao Lei wrote:
>
>         Hi Phenixbb members,
>
>         I am trying to use "phenix merging statistics" tool, and I
>         have an unmerged sca file from HKL2000,  because the unmerged
>         HKL2000 output does not have unit cell information, so I also
>         need to input a symmetry file, how can I find the symmetry
>         file? Is there a way to generate a symmetry file?
>
>         Thanks ahead.
>
>         Xiao
>
>
>

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