[phenixbb] FW: question regarding Table1

[Nathaniel Echols]

Please send me the inputs off-list and I will take a look.  I suspect the
problem is that the "original MTZ" isn't really the appropriate file -
there is a weird corner case where the output of Aimless (I think) is
recognized as "unmerged" even though nearly all reflections are unique.
This could explain the weird statistics, in which case my recommendation
would be to re-run the scaling exactly as before but also directing Aimless
to output the unmerged reflections as a Scalepack file.  (Or, in the
future, if you process your data with xia2 it will do this automatically,
but I don't think you need to re-process these data to get what you need.)

(Actually, I don't even need to see the file itself - you could just run
phenix.merging_statstics on the MTZ file and send me the result.)

On Sat, Jan 17, 2015 at 8:40 PM, SD Y <ccp4_sc at hotmail.com> wrote:

>
>
> ------------------------------
> From: ccp4_sc at hotmail.com
> To: phenixbb-request at phenix-online.org
> Subject: question regarding Table1
> Date: Fri, 16 Jan 2015 20:30:47 -0600
>
> Hi Everyone,
>
> I used phenix refined pdb, mtz and original mtz in the latest version of
> phenix  to generate Table 1 and I felt the following was not right. I am
> not sure of  the reason.
>
>  *R-merge*
>
> 1.193e-17 (1.036e-17)
>
> *R-meas*
>
> 1.688e-17
>
> *CC1/2*
>
> 1 (1)
>
> *CC**
>
> 1 (1)
>
> Let me know . I appreciate your comments.
>
> Regards,
> SDY
>
>
>
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://phenix-online.org/pipermail/phenixbb/attachments/20150117/20af1fb7/attachment-0001.htm>