Re: crystal structure of pyrasulfotole?

Well, in 2015 there were 60 million unique chemical structures in PUBCHEMand not yet one million of crystal structures in CCSD. Most of these 60 millionscould be crystallized.Crystallographers have some late job !BestArmelenvoyé : 23 août 2024 à 08:31de : Matthew Rowles à : RIETVELD_L Distributio

Re: OMIT-map

The OMIT map is calculated like a normal map, but with a certain region of the structure being omitted when calculating Fcalc. A usual electron density map in macromolecular crystallography is calculated from both experimental (Fobs) and calculated (Fcalc) structure factors. Fcalc (structure facto

Re: OMIT-map

It should be slightly different (https://doi.org/10.1107/S0021889887012755), see slide 9 here: https://brockhouse.lightsource.ca/media/uploads/xrd-school-2024/introduction_to_gsas-ii.pdf The calculation appears to be here: https://github.com/AdvancedPhotonSource/GSAS-II/blob/0b735da79488087ee5bc

RE: OMIT-map

This seems to be another name for a difference Fourier map, calculated from F_obs - F_calc; the term omit map being used in the macromolecular community. It shows scattering density missing in the model, i.e. from omitted atoms. *Von:* davide.lev...@gmail.com *Gesendet:* Sonntag, 18. August

RE: Alternative suppplier for QPA standards

Dear All, Thank you very much for your answers. It helped me a lot! Best Regards, Jan From: rietveld_l-requ...@ill.fr On Behalf Of Matthew Rowles Sent: Friday, August 16, 2024 4:28 AM To: Jan Rohlíček Cc: rietveld_l@ill.fr Subject: Re: Alternative suppplier for QPA standards Hi Jan

Re: Alternative suppplier for QPA standards

Hi Jan Independent Minerals Standards have a corundum certified at 99.04% crystalline. It was done* via external standard calibration by reference to NIST 676a. https://imstandards.com.au/independent-mineral-standards-releases-ims135/ *I was involved in the XRD measurements that were used in th

Re: Legendre polynomial coefficient

Dear Rietveld Users, The correction of the data with the Legendre polynomials coefficients was too difficult. I have used HighScore to extract the background and to correct the data with the relation : I corrected = I obs / I background done with Excel The final result is not too bad !! A

Re: Pharma samples: prep and data collection

Matthew I should principally not speak on behalf of a private company but there is a workshop on this topic June 10-11 https://sps-xrpd.excelsusss.com/ Today I received a notification there is the possibility of remote attending Francois On 16/05/2024 07:55, Matthew Rowles wrote: Hi all A

Re: Rietveld ESD calc fortran code typo?

Thanks a lot for that Jonathon. The code is helping me understand the algorithm, in particular the implementation of the double sum. Currently in the process of reproducing it in python to get around my essentially complete lack of knowledge in fortran so I can properly understand it. On Thu, 16

Re: Rietveld ESD calc fortran code typo?

Dear Matthew That fortran snippet was corrected in Appendix 1 of Andreev's paper here: https://doi.org/10.1107/S002188989300891X It is a shame that implicit none was not part of fortran 77. The google search resul leading me to that was: https://www.researchgate.net/publication/359342753_Pro

Re: Removing X-ray emissions during X-ray diffraction scanning.

The best solution is to change wavelength. Somebody also used thin metal foils before the detector, but this compromises intensity. Best Miguel El lun, 1 abr. 2024 8:51, Shay Tirosh escribió: > Dear Rietvelders > > Is there an option to remove or at list to reduce x-ray emission during > x-ra

Re: Legendre polynomial coefficient

Hi Francois Reflection mode at a synchrotron? Does that mean you have the beam coming in at a fixed angle with respect to the specimen, and then collecting all the angles? Because of the change in specimen volume with angle, you need to modify the calculated intensities, as most (all?) Rietveld p

Re: Misconduct

38/s41598-024-57685-9 > > > *envoyé :* 15 janvier 2024 à 20:05 > *de :* Le Bail Armel > *à :* Le Bail Armel > *objet :* Re: Misconduct > > Frightening. > > Searching for “Rietveld refinement” in Google Scholar for 2024 gives > already >1300 entries. Among t

Re: Misconduct

Retracted :https://link.springer.com/article/10.1038/s41598-024-57685-9envoyé : 15 janvier 2024 à 20:05de : Le Bail Armel à : Le Bail Armel objet : Re: MisconductFrightening.Searching for “Rietveld refinement” in Google Scholar for 2024 gives already >1300 entries. Among the first 30 in the l

Re: NIST-676a

from more one machine. > >>> > >>> Jim > >>> > >>> > >>> James P. Cline > >>> Materials Measurement Science Division > >>> National Institute of Standards and Technology > >>> 100 Bureau Dr. stop 8370 [ B113

Re: Misconduct

Dear Jon, thanks a lot for the AI autonomous labs links, very interesting (but not much surprising?). Definitely, a lot of (educational) work must be done on methods, even for well introduced and widely used ones. For QPA full profile fitting by any Rietveld software, there are many outcom

Re: Misconduct

Dear Alan, exactly, knowledge gaps and laziness do often cause blind trust in any black box or statistical methods. And, as AI is trained by open internet resources, the older bad science rubbish will be probably perpetuated by AI. Bad perspectives for science. Terminology: We all know that

Re: Misconduct

On 17/01/2024 09:40, Reinhard Kleeberg wrote: > "Automated mineralogy" Dear Colleagues, It sounds like there crisis for this community? I didn't see anyone mention the AI story that was also in the news: https://www.chemistryworld.com/news/new-analysis-raises-doubts-over-autonomous-labs-mater

Re: Misconduct

Dear Rienhard Yes everything is AI now, and people often prefer that to thinking for themselves. I have nothing against automation as a human aid, but there is a temptation with "black box" software to just click the "Refine Everything" button and copy-paste the results. There is a problem when AI

Re: Misconduct

Dear Alan, I agree completely, especially with the evaluation of the "quality" of the paper triggering the discussion. Regarding misleading and capturing terminology in analytical methods, I have an IMHO more serious, horrible example: "Automated mineralogy" https://en.wikipedia.org/wiki/Au

Re: [EXTERNAL] Re: Misconduct/terminology

s with temperature. > > And no, we don’t just try to get lower R-values by randomly adding > parameters! 😉 > > Cora > > > > *From:* Alan W Hewat > *Sent:* Tuesday, January 16, 2024 11:54 AM > *To:* Lind-Kovacs, Cora > *Cc:* rietveld_l@ill.fr > *Subject:* Re: [EXT

RE: [EXTERNAL] Re: Misconduct/terminology

Subject: Re: [EXTERNAL] Re: Misconduct "In many cases, we will indeed refine those structural parameters to get the best possible match". The best possible match is not the objective of QPA, but rather the best possible estimation of the phase fractions. You can refine parameters

Re: [EXTERNAL] Re: Misconduct

odies, do I still qualify for a Rietveld refinement? > > Just some fun thoughts here! 😉 > > > > Cora > > > > *From:* rietveld_l-requ...@ill.fr *On Behalf > Of *Stefan Seidlmayer > *Sent:* Tuesday, January 16, 2024 9:51 AM > *To:* rietveld_l@ill.fr > *Subjec

Re: Misconduct/terminology

Dear Alan, No problems with “Rietveld refinement” at all, despite the fact that I met Hugo Rietveld when I was a young postdoc at 1999 IUCr and he seemed rather refined to me, too. And it’s not my students I’m concerned about - they take me surprisingly seriously, on issues of refinement and (c

Re: Misconduct

😂 That’s the best message of the year! I should remember it. Luca > On 16 Jan 2024, at 15:22, Alan W Hewat wrote: > > Ha ! When Terry Sabine proposed to call it Rietveld Refinement, I told him > that Rietveld was already "refined". > > > Dr Alan Hewat, Neu

RE: [EXTERNAL] Re: Misconduct

fun thoughts here! 😉 Cora From: rietveld_l-requ...@ill.fr On Behalf Of Stefan Seidlmayer Sent: Tuesday, January 16, 2024 9:51 AM To: rietveld_l@ill.fr Subject: [EXTERNAL] Re: Misconduct Dear all, I was following the discussion also with great interest, as terminology is important to

Re: Misconduct/terminology

Dear Smudut. Potatoes in gives Potatoes out from black box software with buttons. Dear Ivana. Do you also have a problem with the shorthand expression "Rietveld Refinement"? If so, you might try my joke that Rietveld is already refined :-) I think you can use such apparent mis-statements to teach

RE: Misconduct/terminology

5 5793 From: rietveld_l-requ...@ill.fr On Behalf Of Norberto Masciocchi Sent: Tuesday, January 16, 2024 11:15 AM To: rietveld_l@ill.fr Subject: Re: Misconduct/terminology Il 16/01/2024 17:06, EVANS, IVANA R. ha scritto: Dear All, Data shold be NEVER refined, no matter whether "data£ is

Re: Misconduct/terminology

Il 16/01/2024 17:06, EVANS, IVANA R. ha scritto: Dear All, Data shold be NEVER refined, no matter whether "data£ is considered singular or plural. It's the model which is refined. Beyound this, "data" is plural, as it is the plural of "datum". https://dictionary.cambridge.org/dictionary/english

Re: Misconduct/terminology

Potato-potato...Software that I am using for QPA has one button named "Rietveld refinemet" so for me it is Rietveld refinement 😀👍Poslano iz Outlook za Android ++ Please do NOT attach files to the whole list Send commands to eg: HELP as t

Re: Misconduct/terminology

Dear Alan/All, I have a problem with that shorthand expression, particularly in teaching and training contexts, because students quickly equate this to “refining the data”. Countless research papers, even coming from reputable groups and published in reputable journals, contain statements that

Re: Misconduct

"QPA Profile Refinement" is shorthand for "QPA (using the) Profile (method of) Refinement :-) Yes, it is the phase composition that is refined, by fitting the profile, but I see no problem with the shorthand expression. Dr Alan Hewat, NeutronOptics Grenoble, FRANC

Re: Misconduct

Il 2024-01-16 16:21 Alan W Hewat ha scritto: And for those who worry about pedantry, "Rietveld Refinement" is just shorthand for the "Rietveld (method of) Refinement. It involves the refinement of the crystal structure, not Rietveld :-) Indeed! :-) Nonetheless, whatever the analysis, the profi

Re: Misconduct

Yes Stefan, it is a question of what you are refining and constraining. Before Rietveld it was of course known that the positions of the peaks were determined by the unit cell. There were techniques like Search-Match that attempted to identify materials by the positions of the peaks. The history of

Re: Misconduct

Dear all, I was following the discussion also with great interest, as terminology is important to distinguish properly between different items. To my understanding the Rietveld approach was new because it constrained the fitting of a peak list generated "from a structure" with the refinement of t

Re: Misconduct

Ha ! When Terry Sabine proposed to call it Rietveld Refinement, I told him that Rietveld was already "refined". Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com +33.476984168 VAT:FR79499450856 http://NeutronOptics.com/hewat __

[SUSPECTED SPAM] Re: Misconduct

Dear all, I'm following this interesting discussion. It seems to me that sometimes there is an improper use of terminology, in particular when we talk about "profile refinement"; in reality, we all know that it is about "profile fitting". Or did I miss something? sorry for the pedantry. Albe

Re: Misconduct

hods, but it is necessary for convincing ourselves and others that the identification of the compound is reasonable. Is that Rietveld refinement? I don’t know so I call upon the list to say. Kurt Get Outlook for iOS <https://aka.ms/o0ukef> ------ *From:* rietveld_l

Re: Misconduct

; crystallographic methods, but it is necessary for convincing ourselves > and > >> others that the identification of the compound is reasonable. Is that > >> Rietveld refinement? I don’t know so I call upon the list to say. > >> > >> Kurt > >> > &g

Re: Misconduct

’t know so I call upon the list to say. Kurt Get Outlook for iOS <https://aka.ms/o0ukef> -- *From:* rietveld_l-requ...@ill.fr on behalf of Matthew Rowles *Sent:* Sunday, January 14, 2024 11:04:25 PM *To:* Alan W Hewat *Cc:* Le Bail Armel ; Rietveld_L < Rietveld_L@ill.f

Re: Misconduct

t:* Sunday, January 14, 2024 11:04:25 PM > *To:* Alan W Hewat > *Cc:* Le Bail Armel ; Rietveld_L < > Rietveld_L@ill.fr> > *Subject:* Re: Misconduct > > I see the core contribution of the Rietveld method as the point-wise > calculation of a powder pattern. This then enabl

Re: Misconduct

veld_L Subject: Re: Misconduct I see the core contribution of the Rietveld method as the point-wise calculation of a powder pattern. This then enables the refinement of the parameters. Yes, attributing QPA to Rietveld is incorrect; that is mainly due to Hill/Howard and Bish/Howard - I try to mak

Re: Misconduct

I see the core contribution of the Rietveld method as the point-wise calculation of a powder pattern. This then enables the refinement of the parameters. Yes, attributing QPA to Rietveld is incorrect; that is mainly due to Hill/Howard and Bish/Howard - I try to make it a point to differentiate thi

Re: Misconduct

Good new from PubPeer:Virgil OptasanuHi. I am one of the co-authors. Thanks for these warnings. It does indeed appear that there are problems with this image with an intention to manipulate data. Whatever the reason for this manipulation, it is completely unacceptable. I will investigate to find

Re: Misconduct

I sympathise with Luca. There is no generally accepted name for this kind of profile refinement, as there is for Pawley or Le Bail refinement, terms that are well understood. I would simply call it *Profile Refinement*, as Rietveld did, specifying *Quantitative Phase Analysis* where that is appropr

Re: Misconduct

You are both true in a certain sense. It is true that this is not the core of the Rietveld refinement per se, but we don’t have an “official” term to call a refinement of a powder pattern using crystallographic parameters. Hence I tried to call it Rietveld-like or extended Rietveld. The alternat

Re: Misconduct

The core of Rietveld refinement is REFINING the crystallographic parameters to fit the pattern. That was the great innovation. Is that done here ? To calculate various patterns to refine phase composition you necessarily need models of the crystal structures. But all refinements of powder patterns

Re: Misconduct

Hard disagree here. You're using crystallographic parameters to calculate the (intensities and positions of the) pattern. To me, that's the core of Rietveld refinement. You need to apply a peak shape model. Why not apply a model from which you can extract crystallite parameters? QPA can then be

Re: Misconduct

Apart from the record number of atoms, phases, parameters, citations etc used to describe just 3 broad peaks, I object to this kind of refinement being called "Rietveld refinement". Luca called it "Rietveld-like" in MAUD, which was used here, but even that is wrong. The term "Rietveld refinement" s

Re: Misconduct

Co + Fe on Cu = nice 😬 Best Petr Dne 12.01.2024 v 12:57 Le Bail Armel napsal(a): Hi, A good candidate for the "worst Rietveld refinement of the year" award : https://pubpeer.com/publications/12069A6AD9D5D34F26031F34705D06 Even the difference pattern is totally fabricated. Best Armel ++

RE: Misconduct

That is impressive, but I'm sorry to say that I have seen worse. EM images though, not diffraction patterns. From: rietveld_l-requ...@ill.fr On Behalf Of Le Bail Armel Sent: fredag 12. januar 2024 12:57 To: Rietveld_L Subject: Misconduct Hi, A good candidate for the "worst Rietveld refinem

Re: NIST-676a

riginal Message- From: rietveld_l-requ...@ill.fr On Behalf Of Reinhard Kleeberg Sent: Monday, November 13, 2023 1:51 AM To: rietveld_l@ill.fr Subject: Re: NIST-676a We are using Baikowski CR1 https://www.baikowski.com/en/serie/cr/ Not certified but maybe identical with SRM676a. Scale factors and

Re: NIST-676a

lf Of Reinhard Kleeberg Sent: Monday, November 13, 2023 1:51 AM To: rietveld_l@ill.fr Subject: Re: NIST-676a We are using Baikowski CR1 https://www.baikowski.com/en/serie/cr/ Not certified but maybe identical with SRM676a. Scale factors and cell parameters found to be within the errors. Prof

Re: NIST-676a

To: rietveld_l@ill.fr Subject: Re: NIST-676a We are using Baikowski CR1 https://www.baikowski.com/en/serie/cr/ Not certified but maybe identical with SRM676a. Scale factors and cell parameters found to be within the errors. Profile shape shows similar features (also not an ideal material)

Re: Excluding phases from weight percent calculation

Hi Claire It sounds like you're using the Hill/Howard algorithm for quantification. You just need to not put the details of the SiO2 phase you're using into the summation. This is equivalent to removing the ~90% attributed to the capillary, and renormalising to 100% Matthew On Tue, 14 Nov 20

RE: NIST-676a

From: rietveld_l-requ...@ill.fr On Behalf Of Reinhard Kleeberg Sent: Monday, November 13, 2023 1:51 AM To: rietveld_l@ill.fr Subject: Re: NIST-676a We are using Baikowski CR1 https://www.baikowski.com/en/serie/cr/ Not certified but maybe identical with SRM676a. Scale factors and cell parameters found

Re: Excluding phases from weight percent calculation

Il 13/11/2023 18:35, Claire Emily Boronski ha scritto: Dear Claire, Make the sum of the remaining crystalline weight percentages to be 100%. This is a rough, but simple, calculation. Alternatively, measure an empty capillary and correct the raw data of your mixture for such scattering (taking

Re: NIST-676a

I would use any good single-crystal structure to model the pattern. Refine cell params as necessary. I would use the NIST certificate as a starting point, but not an end point. On Mon, 13 Nov 2023 at 13:07, SMUDUT wrote: > Thank you Matthew, > Really appreciate! > What about cell parameters and

Re: NIST-676a

We are using Baikowski CR1 https://www.baikowski.com/en/serie/cr/ Not certified but maybe identical with SRM676a. Scale factors and cell parameters found to be within the errors. Profile shape shows similar features (also not an ideal material). Best regards Reinhard Zitat von Matthew Rowle

Re: NIST-676a

Thank you Matthew, Really appreciate!What about cell parameters and peaks positions? Should I use it from the Nist-676a certificate?MatejPoslano iz Outlook za Android ++ Please do NOT attach files to the whole list Send commands to eg: H

Re: NIST-676a

Hi Matej You can try IMS135 - high purity alumina. https://imstandards.com.au/products/ It was certified against some SRM676a we already had in the lab. Matthew On Sun, 12 Nov 2023 at 22:42, Matej Dolenec wrote: > Dear all, > > I am trying to buy NIST-676a but unfortunately unsuccessful

Re: Fitting an unknown amorphous phase

Hi Claire If you just model the phase with generic peaks, and no scale factor, it will be excluded from the Hill & Howard quantification algorithm. You're now in relative weight fraction world, and everything is scaled to 100%. You could also try DDM (Toraya 2016 and others) if you're keen, but de

RE: Checkcif, CCDC

, 2023 10:54 AM To: Peter Stephens Cc: rietveld_l@ill.fr Subject: Re: Checkcif, CCDC What is required is an agreed list of tests to change/ignore. The full list of CheckCIF tests is at: https://journals.iucr.org/services/cif/datavalidation.html (note also prefilter). I'd suggest that any volu

Re: Checkcif, CCDC

What is required is an agreed list of tests to change/ignore. The full list of CheckCIF tests is at: https://journals.iucr.org/services/cif/datavalidation.html (note also prefilter). I'd suggest that any volunteers from here simply make a list the tests that don't apply for powder diffraction. A st

Re: Checkcif, CCDC

I join! Miguel Gregorkiewitz PS so far, i had no problems to have accepted my validations, but checkcif is a questionable hurdle in powder diffraction! El sáb, 7 oct. 2023 2:04, Peter Stephens escribió: > I feel that checkCIF (and by extension, CCDC) is growing increasingly > hostile to us cry

RE: database for lab measurements

Dear Carlotta, I know https://dkratzert.de/structurefinder.html, it searches cif and res files in a file system. Not sure about the measured data... Jan From: rietveld_l-requ...@ill.fr On Behalf Of Carlotta Giacobbe Sent: Wednesday, October 4, 2023 9:41 AM To: rietveld_l@ill.fr Subject: da

Re: Request for CIF file

Hi Mahboubeh . If you do not have access to the "Inorganic Crystal Structure Database " ICSD you might try simply *googling "K2Nb6O16"* and you will immediately find that the structure is in the Open Quantum Materials Database

Re: FPSM : (was Re: [EXT] [External] Re: Step-like basline)

t; 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

Re: FPSM : (was Re: [EXT] [External] Re: Step-like basline)

No they did not, I think the reviewer was American, in fact he was also wining about unfair competition by the EU that provides funds to develop technologies directly competing against US companies….. The FPSM was originally developed in 2013-2014 inside one EU project. I would have not develope

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

/ ) Unrestricted Document -Original Message- From: rietveld_l-requ...@ill.fr On Behalf Of Reinhard Kleeberg Sent: Monday, September 4, 2023 2:19 AM To: rietveld_l@ill.fr Subject: Re: [EXT] Re: [External] Re: Step-like basline CAUTION: This email originated from outside of the organization. Do

Re: FPSM : (was Re: [EXT] [External] Re: Step-like basline)

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 revie

Re: Step-like basline

d Philips 1710 diffractometer, > > > > vertical sample holder, scintillation counter, not much used because we > > > > had better instruments, hence this stupid test ;-) > > > > Armel > > > >> envoyé : 7 septembre 2023 à 10:57 > >> de : Reinh

Re: Step-like basline

@ill.fr objet : Re: Step-like basline Dear Luca, sorry, I don't understand the "mosaic crystal" eplanation, especially not the "non-centre position" issue. IMHO, when the pattern was measured at a "powder" Bragg-Brentano configuration, in reflection mode, axial an

Re: Step-like basline

The muscovite data is dated 1996 from an old Philips 1710 diffractometer,vertical sample holder, scintillation counter, not much used because wehad better instruments, hence this stupid test ;-)Armelenvoyé : 7 septembre 2023 à 10:57de : Reinhard Kleeberg à : rietveld_l@ill.frobjet : Re: Step

Re: Step-like basline

aud: http://maud.radiographema.com <http://maud.radiographema/> On 6 Sep 2023, at 17:43, Le Bail Armel wrote: Dear Frank, Same as you. I have not a complete solution. Best Armel envoyé : 6 septembre 2023 à 16:57 de : Frank Girgsdies <mailto:girgs...@fhi-berlin.mpg.de>> à : Le Bai

FPSM : (was Re: [EXT] [External] Re: Step-like basline)

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

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

gt;> > Radovan Cerny >> > >> > Envoyé à partir de Outlook pour Android<https://aka.ms/AAb9ysg> >> > >> > From: rietveld_l-requ...@ill.fr on >> > behalf of Reinhard Kleeberg >> > Sent: Tuesday, Septemb

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

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

Re: Step-like basline

gt; à : Le Bail Armel mailto:le-bail.ar...@orange.fr>> >> Cc: Rietveld_L mailto:Rietveld_L@ill.fr>> >> objet : Re: Step-like basline >> >> >> Dear Armel, >> >> Thanks for this nice quiz! >> >> However, after identifying the follow

Re: Step-like basline

Dear Frank,Same as you. I have not a complete solution.BestArmelenvoyé : 6 septembre 2023 à 16:57de : Frank Girgsdies à : Le Bail Armel Cc: Rietveld_L objet : Re: Step-like baslineDear Armel,Thanks for this nice quiz!However, after identifying the following spectral impurities: Cu K_beta, W

Re: Step-like basline

Dear Armel, Thanks for this nice quiz! However, after identifying the following spectral impurities: Cu K_beta, W L_alpha1,2 W L_beta1,2,3,4 and W L_gamma1, I am stuck now, leaving bout 1/2 to 1/3 of the tiny extra peaks unexplained. Some of them look suspiciously like Cu K_alpha1+2 doubl

Re: HiCANS (Hight Current Accelerator-driven Neutron Source)

Hi Alan, Accelerator-driven neutron sources are a lot cheaper than spallation sources. Moreover, Figure 54 in the ICONE document shows that the scientific productivity of neutron sources does not depend on the flux of the source. And the biggest point might be the return to building new neutr

Re: HiCANS (Hight Current Accelerator-driven Neutron Source)

Glad you are following neutron developments Armel. This document points out how French science has suffered due to the shutdown of the only national neutron sources, in Grenoble and Paris. It argues that ESS when it is finally operational, cannot possibly satisfy the national requirement if ILL is

Re: [EXTERNAL] Re: Step-like basline

--- > *De :* rietveld_l-requ...@ill.fr de la part > de Alan W Hewat > *Envoyé :* mercredi 6 septembre 2023 11:17 > *À :* Le Bail Armel > *Cc :* Rietveld_L > *Objet :* [EXTERNAL] Re: Step-like basline > > "*The biggest improvement was synchrotron radiation*

RE: [EXTERNAL] Re: Step-like basline

ny.htm De : rietveld_l-requ...@ill.fr de la part de Alan W Hewat Envoyé : mercredi 6 septembre 2023 11:17 À : Le Bail Armel Cc : Rietveld_L Objet : [EXTERNAL] Re: Step-like basline "The biggest improvement was synchrotron radiation". No. The biggest imp

Re: Step-like basline

Nice example for real world, Armel! These huge flakes are by no means single crystals, so I tend to interpret the small peaks in the feet of the maxima as stemming from slightly misaligned regions, sort of graininess. Did you try under the polarizing microscope? Best Miguel El mié, 6 sep. 202

Re: Step-like basline

"*The biggest improvement was synchrotron radiation*". No. The biggest improvement for the profile refinement of atomic and magnetic structures (Rietveld refinement in the strict sense) was high resolution neutron powder diffractometers with large area detectors :-) Even SR gives undue weight to he

Re: Step-like basline

Hi,In the same subject.A special "powder pattern" to play with (try to explain all peaks) :http://cristal.org/muscovite.pdfBestArmel ++ Please do NOT attach files to the whole list Send commands to eg: HELP as the subject with no body

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

> > Radovan Cerny > > > > Envoyé à partir de Outlook pour Android<https://aka.ms/AAb9ysg> > > > > From: rietveld_l-requ...@ill.fr on > > behalf of Reinhard Kleeberg > > Sent: Tuesday, September 5, 2023 1:49:57 PM &g

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

of Reinhard Kleeberg Sent: Tuesday, September 5, 2023 1:49:57 PM To: rietveld_l@ill.fr Subject: [EXTERNAL] Re: [EXT] [External] Re: Step-like basline Dear Luca, I completely agree and will be very happy to have a 1D detector with sufficient energy resolution to resolve a "pure" Cu K

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

From: rietveld_l-requ...@ill.fr on behalf of Reinhard Kleeberg Sent: Tuesday, September 5, 2023 1:49:57 PM To: rietveld_l@ill.fr Subject: [EXTERNAL] Re: [EXT] [External] Re: Step-like basline Dear Luca, I completely agree and will be very happy to have a 1D detector with sufficient energy re

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

4-14 (Office), -34 (X-Ray lab)  Maud: http://maud.radiographema.com <http://maud.radiographema/> Begin forwarded message: From: Reinhard Kleeberg Subject: Re: [EXT] [External] Re: Step-like basline Date: 5 September 2023 at 08:56:15 CEST To: rietveld_l@ill.fr Reply-To: Reinh

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

ma.com <http://maud.radiographema/> > Begin forwarded message: > > From: Reinhard Kleeberg > 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 > > Dear Luca, > I co

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

iew is right. Regards Habib -- Message d'origine -- De "Reinhard Kleeberg" <mailto:kleeb...@mineral.tu-freiberg.de>> À "Habib Boughzala" mailto:boughz...@yahoo.com>> Cc rietveld_l@ill.fr <mailto:rietveld_l@ill.fr> Date 04/09/2023 11:07:50 Objet Re:

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

f view is right. Regards Habib -- Message d'origine -- De "Reinhard Kleeberg" <mailto:kleeb...@mineral.tu-freiberg.de>> À "Habib Boughzala" mailto:boughz...@yahoo.com>> Cc rietveld_l@ill.fr <mailto:rietveld_l@ill.fr> Date 04/09/2023 11:07:50 Objet Re

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

gt;> À "Habib Boughzala" 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

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

<mailto:james.cl...@nist.gov> https://www.nist.gov/people/james-p-cline (301) 975 5793 From: rietveld_l-requ...@ill.fr On Behalf Of Luca Lutterotti Sent: Monday, September 4, 2023 1:08 PM To: rietveld_l@ill.fr Cc: Habib Boughzala Subject: Re: [EXT] [External] Re: Step-like basline Dear Habib, Re

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

>> 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 --

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

. > > Regards > Habib > > > -- Message d'origine -- > De "Reinhard Kleeberg" > À "Habib Boughzala" > Cc rietveld_l@ill.fr > Date 04/09/2023 11:07:50 > Objet Re: Re[2]: [EXT] Re: [External] Re: Step-like basline > > Dear

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

enomenon is observed! > So, yes, it's obviously possible that your point of view is right. > > Regards > Habib > > > -- Message d'origine -- > De "Reinhard Kleeberg" <mailto:kleeb...@mineral.tu-freiberg.de>> > À "Habib Boughzala

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