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Hi Ian:
It's CNS (sorry, folks). You get this among the MAD
phasing statistics output, so I assume this is a
consequence of using the same program (cns) to do MAD
and conventional MIR.
Anyway, you've confirmed that it is only meaningful
for the acentric reflections.
I think it is worse than 0/0 in practice since the lack of
closure error will include the occasional 180 phase
error, and the more accurate the centric reflections
are measured, the smaller the denominator!
Thanks.
Bill
On Thu, 18 May 2006, Ian Tickle wrote:
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Hi Bill
Which program is reporting anomalous R_Cullis for centrics? If that's
really what it's doing then it's not defining anomalous R_Cullis in the
'conventional' way, i.e.:
Sum |delta_anom_obs - delta_anom_calc|
--------------------------------------
Sum |delta_anom_obs|
For centrics all these terms are, or should be zero, so you would get
0/0 - not a well-defined quantity!
-- Ian
-----Original Message-----
From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On
Behalf Of William Scott
Sent: Wednesday, May 17, 2006 6:41 PM
To: [email protected]
Subject: [ccp4bb]: Anomalous Cullis Rfactor
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Hi everyone:
How is an anomalous Cullis R defined for centric reflections?
(If it
is the F+ - F-, how can that be meaningful?)
Thanks.
Bill Scott
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