Re: Modelling of peak shape for fixed wavelength

1999-02-03 Thread Patrick Weisbecker
Hello, About influence of misalignement on peak assymetry; A good mean to improve symetry of peaks at low angles is to use soller slits, indeed other parameters than alignement can be responsible for asymetry. As for modeling peak shape, I use Fullprof and i also have difficulties to find a good

Re: Modelling of peak shape for fixed wavelength data using GSAS

1999-02-02 Thread L. Cranswick
For the original query - what about doing a Le Bail fit to get the best profile fit without being biased by the structure. Then lock the profile and refine on the structural parameters? This might be a little tricky with GSAS as I don't believe it recycles the HKL file like Fullprof does. But w

Re: Modelling of peak shape for fixed wavelength data using GSAS

1999-02-02 Thread Rick_Jacubinas
Dear Colin, I am following with interest the discussion you started on the modeling of low angle XRD peaks. I, too, have had difficulty modeling data with our inhouse Philips diffractometer (even with function #3 as suggested to me by Bob von Dreele) and have begun to question Philips directly ab

Re: Modelling of peak shape for fixed wavelength data using GSAS

1999-02-02 Thread Brian H. Toby
Colin, While I do not have very much experience using the Finger-Cox-Jephcoat model on lab diffractometer data, I can say that it works at least pretty well on every problem I have tried and usually does OK when the S/L and H/L values are set at the values matching the instrument design and are

Re: Modelling of peak shape for fixed wavelength data using GSAS

1999-02-02 Thread Colin Lobban
> >I presume that you want to use Pearson VII to fit low angle profiles >as those peaks are assymetric. It sounds like you have significant axial >divergence. Have you tried Jephcoat,Finger, Cox modification to >Pseudo-voight (profile function 3 in GSAS)? It usually dose a very good job

Re: Modelling of peak shape for fixed wavelength data using GSAS

1999-02-01 Thread Apurva
At 07:05 PM 2/1/99 +0100, you wrote: > > >Dear All, > >I have a diffraction profile which spans 5-160 degrees. My problem is >getting an adequate fit for four or five peaks which lie in the range 7-20 >degrees. I have split my data into two histograms (5-20 and 20-160 deg) to >try and alleviate

Modelling of peak shape for fixed wavelength data using GSAS

1999-02-01 Thread Colin Lobban
Dear All, I have a diffraction profile which spans 5-160 degrees. My problem is getting an adequate fit for four or five peaks which lie in the range 7-20 degrees. I have split my data into two histograms (5-20 and 20-160 deg) to try and alleviate the problem, and although the fit is better i