To: l.m.d.cranswick@dl.ac.uk
From: "sianc.davies" 
Subject: Powder Diffraction Project
Date: Wed, 11 Oct 2000 17:21:04 +0100

Dear Lachlan

Sorry to bother you, but I'm doing Jeremy Cockcroft's Powder Diffraction
Certificate course and he said you may be able to help me with using Reitica
1.6.7a for Windows NT and 95 P.C.s.  I have refined a structure of PbSO4 using
isotropic thermal parameters.  Now I would like to refine anisotropic
parameters.  I have set individual B's to 0.6 and the isotropic parameter to
0.0, but I keep getting an error message "Refinement unstable - change
values/numbers of parameters" and I don't know what this means or what I'm
doing wrong.

Could you help?

Yours gratefully

Sian Davies



Small Molecule Crystallographer
John Innes Centre
Colney lane
Norwich 
NR4 7UH

Tel : (01603) 450711
Fax : (01603) 450018

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