From:   SMTP%"sprokic@yahoo.com" 17-OCT-2000 16:56:36.65
To:     cockcroft@img.cryst.bbk.ac.uk
CC:
Subj:   Project, step 4


Dear Jeremy,

It is strictly said in the step 4 of our project that we should NOT try
to refine in the group Pbnm the structure obtained from previous three
steps with the whole range of data set. In that case I find I have a
problem to claim that the best possible result obtained through
refinement with one of two lower symmetry groups is better then the one
that could have been obtained from a refinement with Pbnm. For example,
it is obvious that one of the main points of refinements is improvement
of the peak shapes at higher angles, and this applies both to Pbnm-case
and the remaining two groups.

Should we neglect that?


With best regards,
Sinisa


P.s. I did try refinement with Pbnm, and found it can hardly drop below
Rwp=14%, which is much worse then what I achieve with P21/n and P21/b.

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