[ccp4bb] Bug regarding cell dimensions in autoSHARP / SCALA

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: real space correlation coefficients and coot? or a program from CCP4?
From: Vellieux Frederic Frederic {- dot -} Vellieux {- at -} IBS {- dot -} FR
Date: 2009-11-17

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Subject: Re: Bug regarding cell dimensions in autoSHARP / SCALA
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2009-11-17

Subject: Bug regarding cell dimensions in autoSHARP / SCALA
From: Michele Lunelli efunit {- at -} YAHOO {- dot -} IT
Date: 2009-11-17

I am doing SAD phasing with the latest autoSHARP and CCP4 6.1.1 (SCALA version 3.3.9). The space
group is P21 with unit cell dimension 52.67, 28.61 and 105.16. If I give the data as unmerged SHELX
file, it happens that the third cell dimension become identical to the first when the data are
merged using SCALA. I put the whole log file as attachment. Is this a bug or am I doing something wrong?

Michele

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Next message:
Subject: Re: Bug regarding cell dimensions in autoSHARP / SCALA
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2009-11-17