Re: [sdpd] Re: EXPO

["L. Cranswick" <l.m.d.cranswick...@dl.ac.uk>]

> > While using EXPO, the chemical formula (or Z), seems to affect the 
> > final peak list drastically and the correct Z doesnt seem to work. 
> > Has anyone come up with some kind of standardisation to deal with 
> > this? As of now, I try to give the light atom contents less than 
> > expected. Is this right?
> 
> I don't know really about EXPO (no EXPO co-author subscriber to the
> SDPD mailing list here ?).
> 
> But here is a comment from G. Sheldrick about the Direct Methods
> in SHELXS : "in general the program is rather insensitive to the 
> given unit-cell content."

George Sheldrick tends to follow the philosophy that the 
chemist could be wrong - whereas other direct methods 
programs tend to take the inputted chemistry more seriously -
and can get into a bind if the inputted chemistry is 
siginificantly wrong.

With respect to the original query - what happens if you use
zero Fourier recycling?  What does the peak list look like
then?

Lachlan.

-- 
-----------------------
Lachlan M. D. Cranswick
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        P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0

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