From: GORDON::COCKCROFT "Jeremy Karl Cockcroft (Tel. 0171-631-6800)" 2-OCT-2000 18:37:32.69
To: SMTP%"sianc.davies@bbsrc.ac.uk"
CC: COCKCROFT
Subj: RE: PROJECT
Hi Sian,
Me again! Have just done a few tests, and it should converge if the
parameters are refined in the correct order. (At least it did with my
refinement, though I used a manual background and not a refinable one.)
The starting model does look bad starting with the crude model I freely
admit: one reason for using lead sulphate for teaching is that the refinement
of the structure is fairly tolerant of the starting model.
Hope this all helps - if not, just bug me again about it.
Cheers, Jeremy.
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