Re: [EXT] [External] Re: Step-like basline

2023-09-04 Thread Reinhard Kleeberg
Dear Luca, I completely agree with your opinion, and want to add that even for "trivial" tasks in XRPD like phase analysis and standard Rietveld refinements the satellites/spectral impurities do cause significant trouble: - The K beta and W L satellites of strong peaks of major phases like

RE: [EXT] [External] Re: Step-like basline

2023-09-04 Thread Cline, James P. Dr. (Fed)
Our favored configuration is a Johansson incident beam monochromator and a naked PSD. James P. Cline Materials Measurement Science Division National Institute of Standards and Technology 100 Bureau Dr. stop 8370 [ B113 / Bldg 217 ] Gaithersburg, MD 20899-8523USA james.cl...@nist.gov

Re: Re[4]: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Alan W Hewat
It's Shay who has the problem, not Habib, and we have heard nothing more from him following his initial enquiry and all this expert advice. Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com +33.476984168 VAT:FR79499450856 http:/

Re: Re[4]: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Roberto de Avillez
Dear Habib, Run the silicon crystal diffraction without the Ni filter, you will confirm Kleeberg's explanation. Best regards, Roberto de Avillez Em seg., 4 de set. de 2023 às 07:20, Habib Boughzala < habib.boughz...@ipein.rnu.tn> escreveu: > Many thanks Reinhard, > > That's exactly what I wante

Re: [EXT] [External] Re: Step-like basline

2023-09-04 Thread Luca Lutterotti
Dear Habib, Reinhard is right, and what he explained is exactly what you observed. Now I would add that I may not define your Bruker clean and optimised, because for this kind of samples, wafers and extremely textured thin films, it would be better to have a monochromator in the incident beam a

Re[4]: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Habib Boughzala
Many thanks Reinhard, That's exactly what I wanted to say by "I can assure that our Bruker D8 is clean and optimized!" Otherwise, in some other cases of well conditioned thin film no similar phenomenon is observed! So, yes, it's obviously possible that your point of view is right. Regards Ha

Re: [EXTERNAL] Re: Step-like basline

2023-09-04 Thread Payzant, Andrew
Habib, Reinhard has nailed it – no need for a larger discussion as these artifacts are well understood. The late William Parrish published a paper describing these sort of artifacts ages ago (maybe 1950’s?). Andrew --- Dr. E. A

Re: Step-like basline

2023-09-04 Thread Reinhard Kleeberg
Habib, obviously your instrument is equipped with a not cooled solid state 1D detector (maybe Bruker Lynxeye?) and a Ni filter what is used for "selective" absorbtion of the Cu K beta radiation. What you see in the pattern is mainly a significant part of the tube emission spectrum, diffracte

Re: Step-like basline

2023-09-04 Thread Habib Boughzala
Dear all, I would like to send you my witness related to this kind of observation. I can assure that our Bruker D8 is clean and optimized! In many cases of well conditioned thin film (spin coating or controlled diffusion) material this kind of phenomenon is visible around the highest reflection

Re: Re[2]: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Reinhard Kleeberg
Dear Habib, the phenomenom "satellites or edges" originates from the diffraction process. The critical parameters are: - spectral pureness of the primary beam (primary beam monochromator, tube spectral contamination like W...) - the use of K beta absorbtion filter (and its thickness) - the en

Re: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Reinhard Kleeberg
Alan, I'm quite sure that Shay's pattern shows the typical profile for a profile standard or any "highly crystalline" material measured with a standard configuration of his instrument. No problem with sample prep, no chance for improvement by modified instrumental setting (thicker filter wo

RE: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread alancoelho
Yes Frank, the macro is working with V5 of TOPAS-Academic; TOPAS should be the same. Cheers Alan -Original Message- From: Frank Girgsdies Sent: Monday, September 4, 2023 7:09 PM To: alancoe...@bigpond.com Cc: rietveld_l@ill.fr Subject: Re: [EXT] Re: [External] Re: Step-like basline

Re: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Frank Girgsdies
Dear Alan, Is this updated macro downward compatible with TOPAS version 5? If yes, I would edit my topas.inc and try it. Thanks and cheers, Frank On 04.09.2023 10:44, alancoe...@bigpond.com wrote: Hi Kurt TOPAS models absorption edges well. Page 158 of the Technical Reference at http://www.

RE: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread alancoelho
Hi Kurt TOPAS models absorption edges well. Page 158 of the Technical Reference at http://www.topas-academic.net/Technical_Reference.pdf shows the result. The macro in question is modifies the emission profile which is how I think it should be modelled: macro Absorption_Edge_Correction

Re: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Alan W Hewat
Reinhard is right that it is best to improve the instrument to produce cleaner data. I'm concerned about the advice to model all kinds of features whose origin is not fully understood, simply to obtain a better fit. Shay has told us nothing about his instrument or his conditions of data collection.

Re: [EXT] Re: [External] Re: Step-like basline

2023-09-04 Thread Frank Girgsdies
Dear Shay, Dear Rietvelders, I agree with all who attributed this step to the metal filter (Ni for Cu radiation) absorption edge jump. In our lab, we got rid of this feature recently, when we migrated from an older Bruker D8 Advance Series II with LynxEye detector (Bragg-Brentano setup with N