Hi,

I am not sure about the 1.2-1.3 limit, but 0.8 probably comes from sqrt(2/pi), 
which is the ratio of the mean of a half-normal and its sigma when the mean 
parameter is 0.

Best wishes,

Gergely


From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> On Behalf Of David Waterman
Sent: 18 December, 2020 12:53
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Anomalous signal to noise details

Hi folks

The paper "Substructure solution with 
SHELXD<https://journals.iucr.org/d/issues/2002/10/02/gr2280/index.html>" 
(Schneider & Sheldrick, 2002) describes how

data can be truncated at the resolution at which [ΔF to its estimated standard 
deviation as a function of the resolution] drops to below about 1.3

Is this referring to the quantity <|ΔF|>/<σ(ΔF)> calculated in resolution 
shells, or the quantity <|ΔF|/σ(ΔF)> ?

This 
entry<https://strucbio.biologie.uni-konstanz.de/ccp4wiki/index.php?title=SHELX_C/D/E#Resolution_cutoff_.28SHEL.29>
 on the ccp4wiki gives a cutoff

where the mean value of |ΔF|/σ(ΔF) falls below about 1.2 (a value of 0.8 would 
indicate pure noise)

this version sounds to me like <|ΔF|/σ(ΔF)>

which is the "better" metric, and what do people mean when they say 
DANO/SIGDANO? What is the justification for the 1.3 (or 1.2) value?

Thanks!
-- David

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