partial occupancy

2004-11-06 Thread Von Dreele, Robert B.
Dear Donita, I'm sure you know that the vanadyl (V=0) bond length is short - you could put in a restraint on its length as one possible control on your refinement. If their sites are partially occupied then make sure you have a constraint to make FRAC(V)=FRAC(O). I don't particularly understand

RE: unusual background

2004-11-06 Thread jens . wenzel . andreasen
> > performing a scan of a Co compound, in capillary setup, with > > CuKa1 primary monochromated radiation, PSD detector, I get a > > bkgd decreasing as usual from 10 to 50°, but then constantly > > increasing from 50° up to my upper scan limit (100°). I have > > no ready aexplanation for this,

RE: unusual background

2004-11-06 Thread jens . wenzel . andreasen
> performing a scan of a Co compound, in capillary setup, with > CuKa1 primary monochromated radiation, PSD detector, I get a > bkgd decreasing as usual from 10 to 50°, but then constantly > increasing from 50° up to my upper scan limit (100°). I have > no ready aexplanation for this, and your

unusual background

2004-11-06 Thread Natale Perchiazzi
Dear All, performing a scan of a Co compound, in capillary setup, with CuKa1 primary monochromated radiation, PSD detector, I get a bkgd decreasing as usual from 10 to 50°, but then constantly increasing from 50° up to my upper scan limit (100°). I have no ready aexplanation for this, and your sugg