To be more clear, they did not ask for anything except that such a paper should never be published!
Luca <http://www.unitn.it/> Luca Lutterotti Dipartimento di Ingegneria Industriale Università di Trento via Sommarive, 9 - 38123 Trento (Italy) tel. +39 0461 2824-14 (Office), -34 (X-Ray lab)  Maud: http://maud.radiographema.com <http://maud.radiographema/> > On 7 Sep 2023, at 10:13, Jonathan WRIGHT <wri...@esrf.fr> wrote: > > Hi Luca, > > Thanks for sharing the links to your method - I hope we can try it the next > time we get stuck on identification. > > It is a shame to hear you were delayed for so long by J.Appl.Cryst. Did they > ask you to cite some work from the Glasgow group as the commercial > competitor? I have in mind that they were looking at measured profiles too > (https://doi.org/10.1107/S002188980400038X, > https://doi.org/10.1107/S0021889804011847). > > Indeed I had overlooked your paper, so perhaps this list is still one of the > better ways to reach some parts of the powder diffraction community! > > With best regards, > > Jon > > > > On 06/09/2023 18:52, Luca Lutterotti wrote: >> I am glad you find FPSM an inspiring idea, me and my co-workers will be >> quite happy if this will results in some citations. The FPSM publication >> back in 2019 was a troubled submission. It took us more than 3 years as >> initially was just rejected (for economical reasons, as it would be unfair >> against the traditional search-match software developed by companies; you >> read it right, that was the reason for rejection by the reviewer and the >> editor accepted it even if the other reviewer was for accepting it as it >> is). We had some discussion, but no way. Then we tried to change journal >> (www were hesitant as it would have had much less visibility on the powder >> diffraction community) but finally Daniel discussed with another editor of >> the same journal and we re-submitted and got some fair reviewers. But it was >> long and the first rejection a bit shocking. I thought before you have to >> reject for scientific reasons……. >> Now I am learning that not only at the academic level, but also some >> companies selling search-match software are including what they call WPF >> search-match, but no one cite the origin of the idea. I hope I don’t get a >> second Loopstra-Rietveld case….. ;-) Well in my case I wrote the software >> before publishing the idea. >> That software was re-written from scratch to optimise for the speed and the >> method. That’s why we can work with several thousand structures at the same >> speed the other softwares work on less than hundreds. I did not use Maud for >> that in fact. >> But I want you to know that the last version I developed on a recent EU >> project (not the one online), works also with turbostratic and modulated >> clay structures using your model (the Ufer et al.) to simulate them in the >> Rietveld. It is a fantastic trick that I use for texture analysis but also >> quantification and now in FPSM. Having a quick Rietveld help to search-match >> samples containing clays using data even at high angles (more than 60 degs). >> I indeed don’t pre-calculate and store structures because when you work with >> many of them it takes more time to load all the precalculations from a >> database (even the speedy ones) than to re-calculate everything. >> So I am glad we both made use of each other models/ideas! >> Best regards, >> Luca >> <http://www.unitn.it/> >> logo_unitrento_firma.png >> * >> Luca Lutterotti* >> Dipartimento di Ingegneria Industriale >> Università di Trento >> via Sommarive, 9 - 38123 Trento (Italy) >> tel. +39 0461 2824-14 (Office), -34 (X-Ray lab) >> ico_fb_32x32.pngico_twitter_32x32.pngico_insta_32x32.pngico_linkedin_32x32.pngico_youtube_32x32.png >> Maud: http://maud.radiographema.com <http://maud.radiographema> >>> On 5 Sep 2023, at 13:49, Reinhard Kleeberg >>> <kleeb...@mineral.tu-freiberg.de> wrote: >>> >>> Dear Luca, >>> I completely agree and will be very happy to have a 1D detector with >>> sufficient energy resolution to resolve a "pure" Cu Kalpha1/2 doublet from >>> W Lalpha1. This would make routine work much easier. IMHO, the biggest >>> improvements in XRPD instrumentation within the last decades came solely >>> from the detector side, should be continued. >>> >>> Regarding search-match by Rietveld: Your FSPM method is a very inspiring >>> idea. Nicola Doebelin has incorporated a simplified approach in PROFEX, too: >>> https://www.youtube.com/watch?v=Oqj71TiifeI >>> <https://www.youtube.com/watch?v=Oqj71TiifeI> >>> >>> I'm routinely applying a run of ~500 structures/minerals what we are >>> commonly using (+- the former QPA database of Seifert AUTOQUAN or from the >>> BGMN webpage) for a phase screening of unknown samples, needs ~ 5 min >>> without interaction. Than running QPA refinement with the best matching >>> structures, clicking on remaining peaks in the difference plot for getting >>> a proposal of best matching main line positions in the database, and adding >>> these structure(s) to the refinement, running again... This is a typical >>> workflow in our lab, no need for peak search, background treatment, >>> thinking about artifact peaks... >>> >>> Best regards >>> >>> Reinhard >>> >>> Zitat von Luca Lutterotti <luca.luttero...@unitn.it >>> <mailto:luca.luttero...@unitn.it>>: >>> >>>> Dear Reinhard and Rietvelders, >>>> >>>> It is always a compromise. Ideally we would like the fastest instrument >>>> with a lot of intensity (so, 1D or 2D detectors) but no lines outside the >>>> Kalpha or even just the Kapha1 like the one of James Cline. But this means >>>> a monochromator on the incident beam and you get fluorescence background. >>>> Now I like your solution of the Si Drift detector, so you just cut the >>>> fluorescence and you don’t need the monochromator in the first place. >>>> So we are working and we are testing some lab prototypes of a 1D Si Drift >>>> like detector to get the best of both world. It is only a lot of >>>> electronic, but one day we will have wonderful instrument with only the >>>> lines we need and no fluorescence for the background. Actually we use >>>> fluorescence for the chemical analysis (quantitative). >>>> >>>> About the search-match problem. Have a look on our FPSM method ( >>>> http://fpsm.radiographema.com/ <http://fpsm.radiographema.com/>) where we >>>> don’t care about extra lines as it is a Rietveld search-match. We don’t >>>> need to identify or search peaks. We don’t use peak positions, we just fit >>>> with the Rietveld. It is slower indeed, but every day is becoming faster >>>> and in a few years it will run quickly on our cellphones (I have a >>>> prototype running there). >>>> >>>> Best regards, >>>> >>>> Luca >>>> >>>> <http://www.unitn.it/ <http://www.unitn.it/>> >>>> >>>> Luca Lutterotti >>>> Dipartimento di Ingegneria Industriale >>>> Università di Trento >>>> via Sommarive, 9 - 38123 Trento (Italy) >>>> tel. +39 0461 2824-14 (Office), -34 (X-Ray lab) >>>> >>>> >>>>  >>>> >>>> Maud:http://maud.radiographema.com >>>> <http://maud.radiographema.com/><http://maud.radiographema/ >>>> <http://maud.radiographema/>> >>>> >>>> >>>>> Begin forwarded message: >>>>> >>>>> From: Reinhard Kleeberg <kleeb...@mineral.tu-freiberg.de> >>>>> Subject: Re: [EXT] [External] Re: Step-like basline >>>>> Date: 5 September 2023 at 08:56:15 CEST >>>>> To: rietveld_l@ill.fr >>>>> Reply-To: Reinhard Kleeberg <kleeb...@mineral.tu-freiberg.de> >>>>> >>>>> 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 >>>>> quartz, carbonates or cubic structures in geomaterials are typically not >>>>> automatically recognized in the standard peak search procedures and >>>>> therefore misinterpreted to be K alpha peaks and added to the peak list. >>>>> I can't tell you how often I was asked from colleagues for explanation of >>>>> such "unidentified peaks", and how much time people have spent for >>>>> searching for explanation of such artefact lines. >>>>> - In Rietveld analysis our software must generate the peaks at least for >>>>> the measured angular range. Depending on the method how the software is >>>>> doing this, we run into problems with the satellites. If the software >>>>> generates the reflections from the positions of K alpha peaks from the >>>>> start lattice parameters and the (extended) upper measured angle, K beta >>>>> satellites of K alpha peaks outside this angular range will maybe not >>>>> generated and remain unfitted in the pattern. If the software generates >>>>> the peaks depending on the shortest wavelength in the wavelength profile >>>>> (more intelligent approach), the software must generate much more >>>>> reflections (with maxima outside the measured angular range) and all >>>>> these peaks must be calculated over an extremely broad angular range. In >>>>> the case of low symmetry structures with big cells or disordered >>>>> structures described by partial structure factors and the resulting >>>>> extreme high numbers of peaks, the "extension effect" will cause >>>>> significantly prolonged time for calculations, without any positive >>>>> effect. >>>>> >>>>> That's why I prefer to use instrumentation with better monochromatic >>>>> radiation (monochromators, high energy resolution detectors) even in the >>>>> daily business of phase analysis. We do use our 1D detector Mythen2 with >>>>> Fe filter (Co radiation) only for "quick and dirty" measurements. >>>>> >>>>> Best regards >>>>> >>>>> Reinhard >>>>> >>>>> >>>>> Zitat von Luca Lutterotti <luca.luttero...@unitn.it>: >>>>> >>>>>> 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 >>>>>> and not a Ni filtered (I would more say it is a requirement). It was >>>>>> already showed many times in the past as a monochromator in the incident >>>>>> beam is a necessity for this materials to avoid all the "physical >>>>>> artifacts" created by the strong intensity and not clean Kalpha >>>>>> radiation. >>>>>> >>>>>> Best regards, >>>>>> >>>>>> Luca >>>>>> >>>>>> <http://www.unitn.it/> >>>>>> >>>>>> Luca Lutterotti >>>>>> Dipartimento di Ingegneria Industriale >>>>>> Università di Trento >>>>>> via Sommarive, 9 - 38123 Trento (Italy) >>>>>> tel. +39 0461 2824-14 (Office), -34 (X-Ray lab) >>>>>> >>>>>> >>>>>>  >>>>>> >>>>>> Maud: http://maud.radiographema.com <http://maud.radiographema/> >>>>>> >>>>>> >>>>>>> On 4 Sep 2023, at 12:20, Habib Boughzala <habib.boughz...@ipein.rnu.tn> >>>>>>> wrote: >>>>>>> >>>>>>> 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 >>>>>>> Habib >>>>>>> >>>>>>> >>>>>>> ------ Message d'origine ------ >>>>>>> De "Reinhard Kleeberg" <kleeb...@mineral.tu-freiberg.de >>>>>>> <mailto:kleeb...@mineral.tu-freiberg.de>> >>>>>>> À "Habib Boughzala" <boughz...@yahoo.com <mailto:boughz...@yahoo.com>> >>>>>>> Cc rietveld_l@ill.fr <mailto:rietveld_l@ill.fr> >>>>>>> Date 04/09/2023 11:07:50 >>>>>>> Objet Re: Re[2]: [EXT] Re: [External] Re: Step-like basline >>>>>>> >>>>>>>> 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 energy resolution ("window") of the detector system. >>>>>>>> Even a D8 system may be equipped with different types of detectors, >>>>>>>> slits and energy limits can be set differently for an identical >>>>>>>> configuration, and quite often satellite peaks may appear later in the >>>>>>>> time of use (aging of the tube produces more W L, Fe filters may >>>>>>>> corrode and get perforated...). So it is strictly recommended to check >>>>>>>> the instrument peridically, by measuring a full pattern of a profile >>>>>>>> standard (LaB6 or Si or similar). >>>>>>>> Greetings >>>>>>>> Reinhard >>>>>>>> >>>>>>>> Zitat von Habib Boughzala <boughz...@yahoo.com >>>>>>>> <mailto:boughz...@yahoo.com>>: >>>>>>>> >>>>>>>>> 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, especially when the preferred >>>>>>>>> orientation is drastically present. >>>>>>>>> >>>>>>>>> So, in my opinion, Reinhard and Alan are right, and what is observed >>>>>>>>> is just like reflections broadening, asymmetry, shifting ...etc ... >>>>>>>>> and can be related to the material behavior. >>>>>>>>> Now, what is the physical (crystallographic!) property responsible of >>>>>>>>> this phenomenon? let's open the floor for a large discussion. >>>>>>>>> >>>>>>>>> >>>>>>>>> Habib >>>>>>>>> >>>>>>>>> >>>>>>>>> ------ Message d'origine ------ >>>>>>>>> De "Alan W Hewat" <alan.he...@neutronoptics.com >>>>>>>>> <mailto:alan.he...@neutronoptics.com>> >>>>>>>>> À "Reinhard Kleeberg" <kleeb...@mineral.tu-freiberg.de >>>>>>>>> <mailto:kleeb...@mineral.tu-freiberg.de>> >>>>>>>>> Cc rietveld_l@ill.fr <mailto:rietveld_l@ill.fr> >>>>>>>>> Date 04/09/2023 09:29:08 >>>>>>>>> Objet Re: [EXT] Re: [External] Re: Step-like basline >>>>>>>>> >>>>>>>>>> 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. He asks "Is it a sample >>>>>>>>>> preparation problem", to which the obvious reply is "Do you see this >>>>>>>>>> with other samples or different materials" ? Only he can answer >>>>>>>>>> that. If the answer is yes, he might try modifying his instrument >>>>>>>>>> (remove filters etc) to see what effect that has on the pattern from >>>>>>>>>> a simple well characterised material. Again only he can do that. >>>>>>>>>> Data collection is an experimental science, and data refinement >>>>>>>>>> should not be reduced to a "black box" computer program where extra >>>>>>>>>> parameters can be added to reduce the R-factor. >>>>>>>>>> Alan. >>>>>>>>>> >>>>>>>>>> On Mon, 4 Sept 2023 at 08:18, Reinhard Kleeberg >>>>>>>>>> <kleeb...@mineral.tu-freiberg.de >>>>>>>>>> <mailto:kleeb...@mineral.tu-freiberg.de>> wrote: >>>>>>>>>>> Can be modeled in the BGMN peak profile model as well, by modifying >>>>>>>>>>> the *.lam file by a series of additional Lorentzians on the 1/lambda >>>>>>>>>>> scale, see figure. >>>>>>>>>>> The same can be done for other spectral impurities, e.g. W L >>>>>>>>>>> satellites. Also "electronic effects" on the wavelength distribution >>>>>>>>>>> profile like the "edges" from the ROI settings of Si drift detectors >>>>>>>>>>> can be modelled in such a convolution based approach. >>>>>>>>>>> However, better to have a pure/simple wavelength distribution (clear >>>>>>>>>>> alpha1/2 doublet) by a monochromator or high energy resolution >>>>>>>>>>> detector, as any satellites make trouble in trace phase analysis and >>>>>>>>>>> do cause prolonged calculation time in complicated Rietveld >>>>>>>>>>> refinements. >>>>>>>>>>> >>>>>>>>>>> Reinhard >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> Zitat von Matthew Rowles <rowle...@gmail.com >>>>>>>>>>> <mailto:rowle...@gmail.com>>: >>>>>>>>>>> >>>>>>>>>>>> Topas can model them quite well. The functionality was introduced >>>>>>>>>>>> in >>>>>>>>>>>> version 5. >>>>>>>>>>>> >>>>>>>>>>>> On Mon, 4 Sep 2023, 00:54 Kurt Leinenweber, <ku...@asu.edu >>>>>>>>>>>> <mailto:ku...@asu.edu>> wrote: >>>>>>>>>>>> >>>>>>>>>>>>> Hi, Are these things modeled in Rietveld programs, by chance? It >>>>>>>>>>>>> seems >>>>>>>>>>>>> like a lot of baggage to put in a refinement but if it makes the >>>>>>>>>>>>> results >>>>>>>>>>>>> better… >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> - Kurt >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> *From:* rietveld_l-requ...@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l-requ...@ill.fr> <rietveld_l-requ...@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l-requ...@ill.fr>> *On Behalf >>>>>>>>>>>>> Of *Thomas Gegan >>>>>>>>>>>>> *Sent:* Sunday, September 3, 2023 9:16 AM >>>>>>>>>>>>> *To:* Bish, David L <b...@indiana.edu <mailto:b...@indiana.edu>>; >>>>>>>>>>>>> Shay Tirosh <stiro...@gmail.com <mailto:stiro...@gmail.com>>; >>>>>>>>>>>>> Fernando Igoa <fer.igoa.1...@gmail.com >>>>>>>>>>>>> <mailto:fer.igoa.1...@gmail.com>> >>>>>>>>>>>>> *Cc:* Rietveld List (rietveld_l@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l@ill.fr>) <rietveld_l@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l@ill.fr>> >>>>>>>>>>>>> *Subject:* RE: [EXT] Re: [External] Re: Step-like basline >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> I agree with a Ni absorption edge, possibly with a Kβ peak around >>>>>>>>>>>>> 38° 2θ. >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> *Tom Gegan* >>>>>>>>>>>>> Chemist III >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Phone: +1 732 205-5111, Email: tom.ge...@basf.com >>>>>>>>>>>>> <mailto:tom.ge...@basf.com> >>>>>>>>>>>>> Postal Address: BASF Corporation, , 25 Middlesex Essex Turnpike, >>>>>>>>>>>>> 08830 >>>>>>>>>>>>> Iselin, United States >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> *From:* rietveld_l-requ...@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l-requ...@ill.fr> <rietveld_l-requ...@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l-requ...@ill.fr>> *On Behalf >>>>>>>>>>>>> Of *Bish, David L >>>>>>>>>>>>> *Sent:* Sunday, September 3, 2023 7:08 AM >>>>>>>>>>>>> *To:* Shay Tirosh <stiro...@gmail.com >>>>>>>>>>>>> <mailto:stiro...@gmail.com>>; Fernando Igoa < >>>>>>>>>>>>> fer.igoa.1...@gmail.com <mailto:fer.igoa.1...@gmail.com>> >>>>>>>>>>>>> *Cc:* Rietveld List (rietveld_l@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l@ill.fr>) <rietveld_l@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l@ill.fr>> >>>>>>>>>>>>> *Subject:* [EXT] Re: [External] Re: Step-like basline >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Some people who received this message don't often get email from >>>>>>>>>>>>> b...@indiana.edu <mailto:b...@indiana.edu>. Learn why this is >>>>>>>>>>>>> important >>>>>>>>>>>>> <https://urldefense.com/v3/__https:/aka.ms/LearnAboutSenderIdentification__;!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71nxuOL3GcxiyD83i2mnNN0Z48HPkn4zjKqH-aqqA$> >>>>>>>>>>>>> >>>>>>>>>>>>> Hello Shay, >>>>>>>>>>>>> >>>>>>>>>>>>> I think it is probably related to "tube tails". You can read >>>>>>>>>>>>> about this in >>>>>>>>>>>>> the literature (e.g., on the BGMN web site) and you can model it >>>>>>>>>>>>> in some >>>>>>>>>>>>> Rietveld software such as Topas. You don't normally notice this >>>>>>>>>>>>> but it >>>>>>>>>>>>> becomes apparent with higher-intensity peaks. >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Regards, >>>>>>>>>>>>> >>>>>>>>>>>>> Dave >>>>>>>>>>>>> ------------------------------ >>>>>>>>>>>>> >>>>>>>>>>>>> *From:* rietveld_l-requ...@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l-requ...@ill.fr> <rietveld_l-requ...@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l-requ...@ill.fr>> on behalf >>>>>>>>>>>>> of Fernando Igoa <fer.igoa.1...@gmail.com >>>>>>>>>>>>> <mailto:fer.igoa.1...@gmail.com>> >>>>>>>>>>>>> *Sent:* Sunday, September 3, 2023 3:06 AM >>>>>>>>>>>>> *To:* Shay Tirosh <stiro...@gmail.com <mailto:stiro...@gmail.com>> >>>>>>>>>>>>> *Cc:* Rietveld List (rietveld_l@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l@ill.fr>) <rietveld_l@ill.fr >>>>>>>>>>>>> <mailto:rietveld_l@ill.fr>> >>>>>>>>>>>>> *Subject:* [External] Re: Step-like basline >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> This message was sent from a non-IU address. Please exercise >>>>>>>>>>>>> caution when >>>>>>>>>>>>> clicking links or opening attachments from external sources. >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Hey Shay, >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Are you using a motorized slit during the measurement? These may >>>>>>>>>>>>> open up >>>>>>>>>>>>> abruptly to compensate for the angular dependence of the >>>>>>>>>>>>> footprint and thus >>>>>>>>>>>>> generate an abrupt increase in the intensity. >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> Hope it helps :) >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> On Sun, Sep 3, 2023, 8:50 AM Shay Tirosh <stiro...@gmail.com >>>>>>>>>>>>> <mailto:stiro...@gmail.com>> wrote: >>>>>>>>>>>>> >>>>>>>>>>>>> Dear Rietvelders >>>>>>>>>>>>> >>>>>>>>>>>>> I am attaching a zoom-in on a diffraction profile. >>>>>>>>>>>>> >>>>>>>>>>>>> My question is what is the origin of the step-like profile next >>>>>>>>>>>>> to a very >>>>>>>>>>>>> large reflection peak? >>>>>>>>>>>>> >>>>>>>>>>>>> Is it a sample preparation problem? >>>>>>>>>>>>> >>>>>>>>>>>>> Is it part of the baseline? >>>>>>>>>>>>> >>>>>>>>>>>>> Thanks >>>>>>>>>>>>> >>>>>>>>>>>>> Shay >>>>>>>>>>>>> >>>>>>>>>>>>> -- >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>>>>>>>>>>> Please do NOT attach files to the whole list >>>>>>>>>>>>> <alan.he...@neutronoptics.com >>>>>>>>>>>>> <mailto:alan.he...@neutronoptics.com> >>>>>>>>>>>>> > >>>>>>>>>>>>> Send commands to <lists...@ill.fr <mailto:lists...@ill.fr>> eg: >>>>>>>>>>>>> HELP as the subject with no body >>>>>>>>>>>>> text >>>>>>>>>>>>> The Rietveld_L list archive is on >>>>>>>>>>>>> http://www.mail-archive.com/rietveld_l@ill.fr/ >>>>>>>>>>>>> <https://urldefense.com/v3/__http:/www.mail-archive.com/rietveld_l@ill.fr/__;!!IKRxdwAv5BmarQ!fFhSHn4S5iEzkW-O9lvWG-OzoqK_2SKhRniGa71nxuOL3GcxiyD83i2mnNN0Z48HPkn4zjJTf8rNHg$> >>>>>>>>>>>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>>>>>>>>>>> >>>>>>>>>>>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>>>>>>>>>>> Please do NOT attach files to the whole list >>>>>>>>>>>>> <alan.he...@neutronoptics.com >>>>>>>>>>>>> <mailto:alan.he...@neutronoptics.com> >>>>>>>>>>>>> > >>>>>>>>>>>>> Send commands to <lists...@ill.fr <mailto:lists...@ill.fr>> eg: >>>>>>>>>>>>> HELP as the subject with no body >>>>>>>>>>>>> text >>>>>>>>>>>>> The Rietveld_L list archive is on >>>>>>>>>>>>> http://www.mail-archive.com/rietveld_l@ill.fr/ >>>>>>>>>>>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>>>>>>>>>>> >>>>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> >>>>>>>>>>> -- >>>>>>>>>>> TU Bergakademie Freiberg >>>>>>>>>>> Dr. R. Kleeberg >>>>>>>>>>> Mineralogisches Labor >>>>>>>>>>> Brennhausgasse 14 >>>>>>>>>>> D-09596 Freiberg >>>>>>>>>>> >>>>>>>>>>> Tel. ++49 (0) 3731-39-3244 >>>>>>>>>>> Fax. ++49 (0) 3731-39-3129 >>>>>>>>>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>>>>>>>>> Please do NOT attach files to the whole list >>>>>>>>>>> <alan.he...@neutronoptics.com <mailto:alan.he...@neutronoptics.com>> >>>>>>>>>>> Send commands to <lists...@ill.fr <mailto:lists...@ill.fr>> eg: >>>>>>>>>>> HELP as the subject with no body text >>>>>>>>>>> The Rietveld_L list archive is on >>>>>>>>>>> http://www.mail-archive.com/rietveld_l@ill.fr/ >>>>>>>>>>> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ >>>>>>>>>>> >>>>>>>>>> >>>>>>>>>> >>>>>>>>>> -- >>>>>>>>>> ______________________________________________ >>>>>>>>>> Dr Alan Hewat, NeutronOptics, Grenoble, FRANCE >>>>>>>>>> <alan.he...@neutronoptics.com <mailto:alan.he...@neutronoptics.com>> >>>>>>>>>> +33.476.98.41.68 >>>>>>>>>> http://www.NeutronOptics.com/hewat >>>>>>>>>> <http://www.neutronoptics.com/hewat> >>>>>>>>>> <http://www.neutronoptics.com/hewat> >>>>>>>>>> ______________________________________________ >>>>>>>> >>>>>>>> >>>>>>>> -- TU Bergakademie Freiberg >>>>>>>> Dr. R. 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