No M/ISYM is different it's the symmetry number plus a full or partial flag.
Ed. You could count them from the unmerged output as you say, or I could make you a special version of SCALA or Aimless maybe next week
Phil
Sent from my iPhone
On 14 Jul 2011, at 23:15, Ethan Merritt <[log in to unmask]> wrote:
> On Thursday, July 14, 2011 02:55:26 pm Ed Pozharski wrote:
>> I am looking for a way to output redundancy per individual reflection,
>> preferably for scala but if that is not possible then maybe for
>> scalepack.
>
> If you read the unmerged file from scalepack into ccp4 using
> combat, it creates a data column with label M/ISYM that I think is
> what you are asking for. You can use the "Import Unmerged Data (Combat)"
> tab in the ccp4i GUI.
>
> Ethan
>
>
>>> From my (admittedly quick) look at the scala manual it seems that I can
>> use something like UNMERGED output option to exclude outliers and then
>> would need to write a bit of code to calculate the redundancies. But I
>> hope that I missed something and there is a secret keyword that would
>> add redundancies to the merged mtz file.
>>
>> Cheers,
>>
>> Ed.
>>
>>
>>
>>
>>
>
> --
> Ethan A Merritt
> Biomolecular Structure Center, K-428 Health Sciences Bldg
> University of Washington, Seattle 98195-7742
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