The reason may be in the absorption (as noted by Alan Hewat) for capillary
samples or in the surface roughness effect for flat samples.
***Leonid A. Solovyov
Institute of Chemistry and Chemical Technology
660036, Akademgorodok 50/24, Krasnoyar
If your refinement looks good it doesn't necessarily mean your model is
true, just that you have a lot of parameters :-)
Negative temperature factors mean that your refinement is trying to add
intensity at high angles, the opposite of the temperature effect. This may
mean that you haven't correcte
