Hi Ed,
I was recently looking for that value myself, but couldn't find it. I suppose (at some point) it may be useful information to deposit. If something is a mean value, it is nice to know how many individual values were used to construct that mean. Unfortunately, there doesn't seem to be a cif token for that.
Cheers,
Robbie
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> Date: Fri, 15 Jul 2011 09:26:39 +0100
> From: [log in to unmask]
> Subject: Re: [ccp4bb] output individual redundancies
> To: [log in to unmask]
>
> 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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