[phenixbb] allowable completeness limit for the highest resolution shell

[Tim Gruene]

Dear TK_Dawod,

there is no reason to discard data only because they are incomplete
within their resolution shell. If the multiplicity is low, the
statistics may not be reliable, but even so they should not be
discarded. Data are often incomplete because they are collected on a
square detector with too short a distance. That's in general not the
best of practice, yet once the data are collected that way, don't blame
the data for being incomplete!

Best,
Tim

On 02/06/2015 08:26 PM, Tarek DawoD wrote:
> Dear ALL
> i would like to ask in general if there is a suggested certain completeness cutoff for the higher resolution shell.
> for example; the following are the values for the 4 higher resolution shells
>       Shell Lower Upper Average      Average     Norm. Linear Square       limit    Angstrom       I    error   stat. Chi**2  R-fac  R-fac  Rmeas   Rpim  CC1/2    CC*  completeness                 1.53   1.50     2.5     1.2    1.2  0.706  0.680  0.596  0.855     0.510  0.547  0.841        73.6
>                 1.50   1.47     2.3     1.1    1.0  0.745  0.742  0.629  0.967     0.613  0.468  0.798        55.3                1.47   1.44     2.0     1.0    1.0  0.725  0.775  0.644  0.000     0.694  0.395  0.752        52.4                1.44   1.41     1.9     0.8     0.8  0.689  0.946  0.681  0.000     0.883  0.371  0.736       33.9          All reflections     44.8     2.5     2.3  0.638  0.044  0.029  0.052     0.028
> 
> my question in other word if all statistics for the highest resolution shell are reasonable, good I/sigma, R-fac, ........, CC1/2, ..etc but the completeness is just say 20 or 30, what is allowable completeness limit for the highest resolution shell, 70, 80 or 90???
> 
> regardsTK_Dawod 
> 
> 
> 
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-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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