[phenixbb] Anomalous or not?

[Tim Gruene]

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Dear Charles Chen,

I am not familiar with autoxds, only xds itself. The reported quality
of the anomalous signal is quite reliably and consistent with that of
other programs, although the resolution shells listed in CORRECT.LP
are a little broad, why I prefer to run xscale and take a look at
XSCALE.LP (which would also combine your data by the way).

I would recomment NOT to set FRIEDEL'S_LAW=FALSE in XDS, especially if
you only have weak anomalous signal. The small differences in the
Bijvoet pairs does not really affect the scaling, but the doubled
number of reflections gives you much more reliable scaling so that you
end up with a stronger anomalous signal with FRIEDEL'S_LAW=TRUE.

Regards,
Tim

On 07/10/2014 03:03 PM, CPMAS Chen wrote:
> Hi, Phenix Users,
> 
> I recently collected data at SSRL. I used autoxds and multiscale to
> merge couple of datasets and hoped to see some anomalous signals.
> Now comes the questions.
> 
> 1. if I use the default sigma(=2), then autoxds will report weak
> anomalous signals and leave the friedel flag off. If I lower sigma
> to 1.5, it will report strong anomalous signals. 2. when I used
> Xtriage under Phenix to check the data quality, it reported weak
> anomalous signal or at above 10A. 3. I used aimless (in CCP4) to
> merge data, it also reported weak anomalous signal.
> 
> Which result should I trust? By the way, how can I view/display
> the ***.anamplot file, which is apparently xmgr format file, but I
> can not display in CCP4i.
> 
> Thanks!
> 
> 
> 
> 
> 
> _______________________________________________ phenixbb mailing
> list phenixbb at phenix-online.org 
> http://phenix-online.org/mailman/listinfo/phenixbb
> 

- -- 
- --
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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