Hi,
On Wed, Apr 04, 2012 at 02:07:58PM -0700, Deepthi wrote:
> Hello everyone
> I have a problem scaling the MAD data which was collected a week ago.The
> data was collected at 1.5A resolution using three wavelengths for Zn-MAD
> experiments. Scaling the data for MAD experiments, the number of rejections
> and chi2 values were very high even after adjusting the error-scale factor
> and error model. The space group i used was p312 which i obtained by
> running a self-rotation function in MOLREP. When i scale my data using p312
> spacegroup the chi2 and rejections were huge. But he data was scaling well
> in p321 spacegroup. can anyone explain whats going on?
When you say 'Scaling the data for MAD experiments': do you mean
scaling the various scans for your 3-wvl MAD data in a single scaling
job? Unless you already took care of this during data integration,
remember that your separate scans could have been indexed differently
and therefore don't match up. See eg.
http://www.ccp4.ac.uk/html/reindexing.html
for some lookup-tables in P312 and P321. You can use the CCP4 program
'reindex' on MTZ files if needed.
But I guess most modern data-processing and scaling programs will take
care of that automatically anyway?
Cheers
Clemens
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