On Thu, 25 Mar 1999, Brian H. Toby wrote:
> Plotting in Q sounds good to me.
>
Good for comparing instruments for resolution and d-spacing range, no
wonder the suggestion came from ISIS :-) However not so good for examining
fits from long d-spacing TOF diffractometers such as OSIRIS and IRIS
(ISIS/TOF instruments for longer d-spacings). While I agree with Paolo
that a standard unit would be useful, please don't make me plot an OSIRIS
dataset with range 0.8-8 Angstroms in Q! The region of interest is the
longer d-spacings (incommensurate magnetic structures), and it gets
crunched up into some spikes.
Horses for courses... shouldn't a fit show information which all has
approximately equal weighting in the minimisation algorithm? In the same
way that difference/esd is often more illuminating than just a
plain difference curve.
Jon Wright
PhD Student
============================================================================
Dept. of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK
Phone-Office 01223 (3)36396; Lab 01223 (3)36305; Home 01223 740198