RE: Negative Biso / absorption in TOPAS.

2010-02-10 Thread Nicolich, Jeffrey
icol...@grace.com -Original Message- From: Alan Hewat [mailto:he...@ill.fr] Sent: Wednesday, February 10, 2010 5:43 AM To: Jacco van de Streek Cc: rietveld_l@ill.fr; alan.he...@neutronoptics.com Subject: Re: Negative Biso / absorption in TOPAS. > 1. Is absorption indeed the most likely c

Re: Negative Biso / absorption in TOPAS.

2010-02-10 Thread Alan Hewat
> 1. Is absorption indeed the most likely cause of this problem or are > there other possibilities? > > 2. How do we model absorption in TOPAS? Which keyword do we use and what > are reasonable values for the parameters in the expression? 1. You will find discussions of negative B-factors in the R

Re: Negative Biso / absorption in TOPAS.

2010-02-10 Thread Jacco van de Streek
Lubomir Smrcok wrote: > could you kindly tell us the composition of the sample and the technique > used to collect the data ? The technique to collect the data is unfortunately not known to me, I'd have to ask. The composition is not a secret: it is an organic pigment, Pigment Yellow 110, and its

Re: Negative Biso / absorption in TOPAS.

2010-02-10 Thread Lubomir Smrcok
Jacco, could you kindly tell us the composition of the sample and the technique used to collect the data ? Lubo On Wed, 10 Feb 2010, Jacco van de Streek wrote: Dear colleagues, I am helping some people from the University of Frankfurt with their Rietveld refinements, and usually their powde

Negative Biso / absorption in TOPAS.

2010-02-10 Thread Jacco van de Streek
Dear colleagues, I am helping some people from the University of Frankfurt with their Rietveld refinements, and usually their powder patterns are measured on their own instrument and the refinements are excellent. This time, however, they have to work with a powder pattern that was sent to them. I