From:   GORDON::COCKCROFT    "Jeremy Karl Cockcroft (Tel. 0171-631-6800)" 20-OCT-2000 15:17:23.11
To:     SMTP%"sianc.davies@bbsrc.ac.uk"
CC:     COCKCROFT
Subj:   RE: Project

Hi Sian,
  One more point on checking your files. Check that all the starting
coordinates match (approx.) those of the orthorhombic refinement
obtained from data set A. You had swopped x-y correctly for cell and
coordinates for the P21/a refinement, but I thought one of the
coordinates looked wrong - Do check that they you have SO4 tetrahedra
after refinement of scale factor alone, i.e. before refining atom coordinates
and B values.
  Jeremy.

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