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RE: [ccp4bb]: Q: Sign of anomalous difference out of Scalepack



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This is exactly what happened to me a few years back with data from a
synchrotron beamline.  The clincher was the fact that the electron density
maps revealed perfect left-handed helices. 

Reversing the sign of DANO and the changing to the other possibility of
space group [P4(3,1)2(1)2] did the trick.  For data collected on
commercially available detectors, though, one should not have to worry about
it.  

Best regards,

Felix Vajdos
Research Scientist
Pfizer Inc
Eastern Point Road
Groton, CT  06340

860-715-6504


-----Original Message-----
From: Jim Pflugrath [mailto:jwp@RigakuMSC.com]
Sent: Friday, August 16, 2002 12:35 PM
To: E.Dodson@ysbl.york.ac.uk
Cc: Phil Jeffrey; ccp4 bulletin board
Subject: Re: [ccp4bb]: Q: Sign of anomalous difference out of Scalepack


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***          CCP4 home page http://www.ccp4.ac.uk         ***

> Phil Jeffrey wrote:

> > Is it ever necessary to invert the sign of the anomalous difference
> > between I+ and I- out of Scalepack during phasing calculations ?  I seem

>  Data collection machinary now always indexes on a right handed system,
> so you should never swap I+ with I-.
>
>  If a program wants to reindexs in some way it will also sort out any
> required swapping..
>
>  Eleanor

Weren't there some cases where the images read in by the software
were interpreted as left-to-right, when they were actually
right-to-left which then inverted the hand (even though everything
otherwise was internally right-handed)?


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