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 ---------------------------------------- > Date: Fri, 15 Jul 2011 09:26:39 +0100 > From: [email protected] > Subject: Re: [ccp4bb] output individual redundancies > To: [email protected] > > 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 <[email protected]> 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 > >
