RE: fundamental parameters approach & X'celerator

2005-05-04 Thread alan coelho
>>Its best to use the terms axial plane and horizontal plane to avoid >>confusion. > >Alan, I'm confused! What do you mean by those terms? >I thought "axial divergence" was "beam hits >different points along the two theta axis" - >is that a misconception? John, if you had a point source, a poi

Re: fundamental parameters approach & X'celerator

2005-05-03 Thread Jon Wright
Its best to use the terms axial plane and horizontal plane to avoid confusion. Alan, I'm confused! What do you mean by those terms? I thought "axial divergence" was "beam hits different points along the two theta axis" - is that a misconception? Last point, what do you mean by vertical diver

RE: fundamental parameters approach & X'celerator

2005-05-03 Thread alan coelho
Jim Cline wrote: >Alan??? Are you listening? Armel wrote: >>Bruker providing help to analyze Panalytical data ?-). You have thrown the bait and I will bite. I am not an employee of a manufacture and as such I am free to implement as I choose into TOPAS-Academic (TA) and I do this without regard

Re: fundamental parameters approach & X'celerator

2005-05-03 Thread A. van der Lee
On 3 May 2005 at 10:51, Jon Wright wrote: > > > Silly question and I think I am missing the point - but how did you fix > the vertical divergence contribution? I thought LaB6 from NIST had a > larger crystallite size than either of your values, suggesting something > has gone wrong in both case

Re: fundamental parameters approach & X'celerator

2005-05-03 Thread Jon Wright
I did some tests on the profile of the first diffraction peak of LaB6, where I added a secondary soller angle, since I used secondary soller slits, and I added also the parameter for the horizontal divergence in the equitorial plane. Finally I added a crystallite-size parameter CS_L. I did the

Re: fundamental parameters approach & X'celerator

2005-05-03 Thread A. van der Lee
Laurel Basciano wrote: > >xdd "test.dat" > > CoKa7_Holzer(0.001) > > Radius(240) > > LP_Factor(17) > > axial_conv > > filament_length 12 > > sample_length 15 > > receiving_slit_length 12 > > primary_soll

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread Jim Cline
Arie, Yes; Bruker has an interest in this matter. Jim At 09:37 AM 5/2/2005, you wrote: Bruker's Vantex detector is rather similar to PanAnalytical's X'celerator detector from a fundamental parameters point of view, not? Maybe I should have formulated my question differently Is there anybody who kno

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread Jim Cline
Laurel, At 09:13 AM 5/2/2005, you wrote: Hi, Alan Coelho helped us get our instrument parameter file set up for Topas Academic. We use an X'celerator detector with cobalt radiation (no monochromator) for most of our work. Here is an example file: xdd "test.dat" CoKa7_Holzer(0.001)

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread A. van der Lee
Bruker's Vantex detector is rather similar to PanAnalytical's X'celerator detector from a fundamental parameters point of view, not? Maybe I should have formulated my question differently Is there anybody who knows how to model peak shapes using the fundamental parameters approach for diffracto

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread Laurel Basciano
Hi, Alan Coelho helped us get our instrument parameter file set up for Topas Academic. We use an X'celerator detector with cobalt radiation (no monochromator) for most of our work. Here is an example file: xdd "test.dat" CoKa7_Holzer(0.001) Radius(240) LP_Factor(17)

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread Jim Cline
Indeed... A situation not without some complications. Jim At 08:00 AM 5/2/2005, you wrote: Alan??? Are you listening? Bruker providing help to analyze Panalytical data ?-). Armel James P. Cline [EMAIL PROTECTED] Ceramics Division Voice (301)

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread Armel Le Bail
Alan??? Are you listening? Bruker providing help to analyze Panalytical data ?-). Armel

Re: fundamental parameters approach & X'celerator

2005-05-02 Thread Jim Cline
Arie, Bob Cheary developed the required description/equations for the use of a psd. But I don't know that they have been implemented in any of the available FPA codes, except perhaps Topas in launch mode. Alan??? Are you listening? Regards, Jim At 06:48 AM 5/2/2005, you wrote: Dear colleagues,

RE: fundamental parameters approach

2004-06-07 Thread Reinhard Kleeberg
Pamela, At 10:24 07.06.2004 -0400, you wrote: >In a perfect world this would be the case, but given that very few people >run systems that conform to the requirements for true fundamental parameters >(Bragg-Brentano with NO monochromator, mirrors, etc), then one is not really >using fundamental par

RE: fundamental parameters approach

2004-06-07 Thread Whitfield, Pamela
Oooo, picking up where Friday left off.. Must go and put the coffee pot on :-) - refining of "fundamental parameters" is nonsense, unless one is not familiar with his diffractometer or want/must "absorb" any unkown effects or weaknesses of his model :-) In a perfect world this would be the c

Re: fundamental parameters approach

2004-06-07 Thread Reinhard Kleeberg
Hi Jon and Pamela, my very personal opinion regarding the "fundamental parameter" stuff: - fundamental is that the observed peak shape is a folding of contributions from (i) wavelength distribution, (ii) instrumental/geometrical aberations and (iii) microstructure of the sample. From this point of

RE: fundamental parameters approach

2004-06-04 Thread Whitfield, Pamela
>In addition, the raytracing fundamental >approach describes at now (planar) transmission geometry and >capillar geometry. Don't know about the planar transmission (never done it), but I can happily fit capillary data off my system. I have no quibbles about the effectiveness of ray-tracing, but w

Re: fundamental parameters approach

2004-06-04 Thread Jörg Bergmann
Dear all, just a remainder for a less popular (and, sorry, less academic published) fundamental parameters aproach: raytracing the geometric part of fundamental parameters as done in BGMN www.bgmn.de (download a free trial version at www.bgmn.de/download.html). At my opinion, folding the geometri

Re: fundamental parameters approach

2004-06-04 Thread Whitfield, Pamela
Our system has double mirrors and I could never get FCJ to give as good a fit, but then that may be a peculiarity of these optics. My memory is a bit hazy so I can't remember what function the simple axial model uses, but I don't think it's a function of diffractometer characteristics. Topas is f

Re: fundamental parameters approach

2004-06-04 Thread Patrick Mercier
Hi all, Here are the references to these papers: Cheary RW, Coelho AA (1998a) Axial divergence in a conventional X-ray powder diffractometer. I. theoretical foundations. J. Appl. Cryst. 31:851-861 Cheary RW, Coelho AA (1998b) Axial divergence in a conventional X-ray powder diffractometer. II. Re

Re: fundamental parameters approach

2004-06-04 Thread Maxim V. Lobanov
In Topas there are two options for treating low-angle asymmetry using diffractometer characteristics (i.e., "fundamental parameters") called "simple axial model" and "full axial model". But (this is my impression only) it seems that FCJ (Finger et al) approach works equally well. Starting from Topa

Re: fundamental parameters approach

2004-06-04 Thread Whitfield, Pamela
Nandini If you're using standard Bragg-Brentano the true fundamental parameters fitting from first principles will happily fit low angle asymmetry, as the mathematical basis for it is well known (look for some papers that Alan Coehlo and Bob Cheary did a while back, in J.Appl.Cryst I think). Axia

Re: fundamental parameters approach

2004-06-04 Thread Nandini Devi Radhamonyamma
Thanks, Pam and Jon for the clarifications. Again, does this approach take care of low angle peak asymmetry better? thanks, nandini --- "Whitfield, Pamela" <[EMAIL PROTECTED]> wrote: > Nandini > > The best people to reply on behalf of fundamental > parameters would be Alan > Coehlo or Arnt Kern

Re: fundamental parameters approach

2004-06-04 Thread Jon Wright
Is the fundamental parameter approach better than mathematical approach used in most of the Rietveld refinement programs? Perhaps someone is about to explain the difference is between "fundamental parameters" and anything else? I used to think it might mean convoluting something which was actu