RE: [sdpd] Re: Another 2 pence worth

["Shankland, K (Kenneth) " <k.shankland...@rl.ac.uk>]

>My approach of SG determination is more pragmatic
>than probabilistic : if the space group is ambiguous
>then I test all apparently possible space groups.
>Ambiguity may come naturally (space groups with same
>extinctions) or due to overlapping. 

The paper addresses exactly the overlap problem. 

>I would not give the decision to any probabilistic
>software. I prefer to decide myself.

By what criterion ?  Your eye ?  Or by some figure
of merit from software, which equates to a probability....  

Given that the topic of prior assumptions was raised,
I should also clarify that the prior probabilities do
not include expected frequencies of space groups
derived from existing crystal structures.

Cheers,

Kenneth

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