From:   GORDON::COCKCROFT    "Jeremy Karl Cockcroft (Tel. 0171-631-6800)" 20-OCT-2000 15:06:20.23
To:     SMTP%"sianc.davies@bbsrc.ac.uk"
CC:     COCKCROFT
Subj:   RE: Project

Hi Sian,
  To answer the 2nd email first re the P21/a refinement. The reason
that it appears to be only fitting the low angle part is that the
isotropic B values are so large that any intensity at higher angles
is being washed out.
  Note also that only one of the monoclinic refinements will be successful.
This said, you should get a moderately reasonable fit even with the wrong
setting of the space group, i.e. with the wrong distortion of the
orthorhombic cell.
  More to follow very shortly,
           Jeremy.

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