RE: Anisotropic peak broadening with TOPAS

2008-10-29 Thread Matthew.Rowles
Sorry, pressed the wrong button... If you just want to try fitting the peaks, you could try something like this: str phase_name "Metal_oxide" local broad 100 'crys size for hk0 and hkl local sharp 2000 'crys size for 00l local csL = IF (And(H == 0,

Fw: Anisotropic peak broadening with TOPAS

2008-10-29 Thread pstephens
In response to the question posted this morning by Frank Girgsdies: Here is a little snatch of topas code for anisotropic broadening in orthorhombic system. (The fitted parameters come from a particular refinement I took this from; the factor of 10^4 is empirically chosen to get parameter valu

RE: Anisotropic peak broadening with TOPAS

2008-10-29 Thread Matthew.Rowles
If you just want to try fitting the peaks, you could try something like this: str phase_name "Metal_oxide" local broad 100 'crys size for hk0 and hkl local sharp 2000 'crys size for 00l local cs = IF (And(H == 0, K == 0, L > 0)) THEN

RIET: availability of Golden Book of Phase Transitions, Wroclaw (2002)

2008-10-29 Thread Lachlan Cranswick
A quick query for people A few of the ICSD crystal structure entries (such as [Metathenardite] Disodium sulfate(VI)) have references to: Golden Book of Phase Transitions, Wroclaw (2002) Does anyone know if this book really exists and where it can be obtained from? Even http://www.abebooks.

Re: Anisotropic peak broadening with TOPAS

2008-10-29 Thread Leonid Solovyov
Dear Frank, I don’t have an exact recipe for Topas, but a general consideration of the problem you face with may be found in J. Appl. Cryst. (2008) 615–627. If you read the paper don’t miss the last sentence of the Conclusions :) Regards, Leonid

Anisotropic peak broadening with TOPAS

2008-10-29 Thread Frank Girgsdies
Dear Topas experts, this is my first email to the list, so if you would like to know something about my background, please refer to the "about me" section at the end of this mail. My question is concerning advanced modeling of anisotropic peak broadening with Alan Coelhos program "Topas". I'm w

RE: Quantitative analysis

2008-10-29 Thread Daniel Chateigner
hi all, not only fibre like, but single component fibre, and with the fibre axis parrallel to the sample normal (i.e. "cyclic fibre". this is very restrictive and generally does not correspond to the real texture. Contrarilly to what has been said here or there, the March-Dollase does not ensure P

Re: Quantitative analysis

2008-10-29 Thread Radovan Cerny
[EMAIL PROTECTED] a écrit : Hi Blaise In Bragg-Brentano mode, sample spinning does nothin for PO. This is because the diffraction vector is normal to the sample surface, and sample spinning rotates along this vector. That's wrong! As I have already written, the empirical PO corrections li