envoyé : 25 avril 2025 à 03:53de : Matthew Rowles à : RIETVELD_L Distribution List objet : CIF for Visual Studio Code extension> you are also able to specify your own in your settings.json file.First time I opened a json file, the only thing I could say was "seriously ?"Showing you a small one :
>At this point not sure we can say for sure is the last paper. Indeed is one to keep in the library, missing Lachlan….Missing Lachlan too. 15 years already ! What was he doing on this frozen lake ?Imagine, we would have version 20 of Nexus...http://www.cristal.org/DU-SDPD/nexus/iucr/unige/crystal
+) but B3+ is no presentFullprof, You can add your own diffusion factors with f' and f'' for different wavelengh (ex Cobalt radiation)Then I have a "stupid question", can we replace B3+ with He with the same number of electrons ? FrancoisLe 22/03/2025 à 20:24, Le Bail Armel a é
2025 à 20:03de : Masciocchi Norberto à : Le Bail Armel , Matthew Rowles cc : "Rietveld List (rietveld_l@ill.fr)" objet : Re: B3+While the availability of the scattering factor for B3+ is certainly a novelty (at least for me), one should be aware that, even in BF4 (where highly electronegati
Thanks a lot !Armelenvoyé : 22 mars 2025 à 17:26de : Matthew Rowles à : Luca Lutterotti cc : Le Bail Armel , "Rietveld List (rietveld_l@ill.fr)" objet : Re: B3+Try https://onlinelibrary.wiley.com/iucr/doi/10.1107/S2053273323010550Andhttps://journals.iucr.org/paper?ae5125MatthewOn T
Hello,Any parametrized X-ray scattering factor for B3+ somewhere ?A case with [BF4] tetrahedra.Thanks !Armel
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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
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
the origin of this problem and ask the editors to possibly remove the article. Greetings.envoyé : 12 janvier 2024 à 12:57de : Le Bail Armel à : Rietveld_L objet : MisconductHi,A good candidate for the "worst Rietveld refinement of the year" award :https://pubpeer.com/pu
Hi,A good candidate for the "worst Rietveld refinement of the year" award :https://pubpeer.com/publications/12069A6AD9D5D34F26031F34705D06Even the difference pattern is totally fabricated.BestArmel
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eUniversità di Trentovia Sommarive, 9 - 38123 Trento (Italy)tel. +39 0461 2824-14 (Office), -34 (X-Ray lab)Maud: http://maud.radiographema.com >> On 6 Sep 2023, at 17:43, Le Bail Armel wrote:>>>> Dear Frank,>>>> Same as you. I have not a complete solution.>>>&
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
Interesting document about neutrons in French, though the word "Rietveld"appears only once, page 162, the word "poudre" (=powder) is more frequent :https://2fdn.cnrs.fr/wp-content/uploads/2023/09/ICONE-digital.pdf
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Hi,In the same subject.A special "powder pattern" to play with (try to explain all peaks) :http://cristal.org/muscovite.pdfBestArmel
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factors. Then comes the Rietveld refinement anyway.envoyé : 18 août 2023 à 17:00de : Alan W Hewat à : Le Bail Armel cc : "rietveld_l@ill.fr" objet : Re: Rietveld condamnation considered as established by some more peopleI have no problem with Rietveld's prize Armel. Crystallograph
août 2023 à 11:30de : Alan W Hewat à : Le Bail Armel cc : rietveld_l@ill.frobjet : Re: Rietveld condamnation considered as established by some more peopleBonjour Armel.No, it was van Laar who initiated it. He was annoyed that I had praised Rietveld too much in my own accounts. http://hewat.net/science
on formula ?envoyé : 16 août 2023 à 19:08de : Alan W Hewat à : Le Bail Armel cc : "rietveld_l@ill.fr" objet : Re: Rietveld condamnation considered as established by some more peopleBonjour Armel. In answer to your question "Where did they find the text of the judgement ?" please
>And there are other examples. See this brief review of "Whole Pattern Fitting - The Pawley Method" (1980) yet few people now attribute this kind of profile refinement to Pawley. http://pd.chem.ucl.ac.uk/pdnn/solve1/pawley.htmFew people ? At least me :https://onlinelibrary.wiley.com/iucr/itc/Ha/c
In a book :How Science Runs – Impressions from a Scientific Career. By Eric J. MittemeijerReviewed by Mike Glazer"In another section, the author has some criticism about the famous Rietveld method in powder diffraction. He points out that the original idea for this method was put forward by Bert
Journals the most frequently chosen for publishing a SDPD, from the beginning up to 2007 :http://www.cristal.org/iniref/journal.html(yes, convincing the referees that this is possible is still difficult ;-)BestArmel
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https://www.iucr.org/__data/assets/pdf_file/0003/21657/CPD32.pdfenvoyé : 17 avril 2023 à 15:33de : davide.lev...@gmail.comà : rietveld_l@ill.frobjet : searching for an articleHi, I am looking for this article: Coelho, A.A. & Kern, A. (2005): Discussion of the indexing algorithms withinTOPAS. - CP
If it is Na-P1 then :http://www.crystallography.net/cod/result.php?text1=Na-P1BestArmelenvoyé : 18 janvier 2023 à 15:45de : Susana Conconi à : rietveld_l-requ...@ill.frobjet : cif fileDear all I need the cif file ICSD 009550 with Zeolite P1 structure . The corresponding PDF file is 01-071-0962.Ca
Nice job !Happy new year.Armelenvoyé : 6 janvier 2023 à 12:36de : Frank Girgsdies à : KULDEEP SINGH <2019phdph...@curaj.ac.in>, rietveld_l@ill.frobjet : Re: refinementDear Kuldeep,First of all, a refinement (I suppose you mean Rietveld refinement?) requires a crystal structure model, which in tur
Hi,You will find a lot of 0D, 1D, 2D "serious mistakes" there :http://cristal.org/grinsp.htmlSo, think to replace such false descriptions by the correct "0P, 1P and 2P terminology.ThanksArmelenvoyé : 24 décembre 2022 à 09:01de : Matthew Rowles à : RIETVELD_L Distribution List objet : Re: "2d mate
Your pattern match well with Bixbyite (plus some impurity)http://www.crystallography.net/cod/9007522.htmlUsing FPSM http://nanoair.dii.unitn.it:8080/sfpm/BestArmelenvoyé : 15 septembre 2022 à 18:37de : KULDEEP SINGH <2019phdph...@curaj.ac.in>à : rietveld_l@ill.frobjet : refinementAnybody can prov
Hello,Ask to the author :https://www.fkf.mpg.de/person/31429/5302167BestArmelenvoyé : 6 février 2022 à 17:20de : Shrinivas Kulkarni à : "rietveld_l@ill.fr" objet : Datlab - Peak FittingHello,I am looking for a website from where I can get Datlab: K. Syassen, ‘‘Datlab, version 1.38XP,’’ MPI/FKFStu
If more than 2 atoms sharing the same site, then fire the chemist...
Armel
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Hi All
>I though this discussion would divide the community but from
Armel’s pole (good idea) it hasn’t.
Yes Alan (C. not H. ;-), thanks !
Rietveld poll provisory result after 2 weeks :
Yet only 54 Rietveld mailing list subscribers feeling concerned by a
possible change of the name of their
>For Armel, here are a couple of examples of automatic indexing, search-match
>and structure DETERMINATION from neutron powder data.
OK, let us make a 2018 analysis of
Pawley & Hewat (1985) Acta Ctyst. B41, 136-130.
according to 2002 criteria
sample : CF3Cl = strong chemical information
The Hugo Rietveld crucifixion is off limits. If it is not here that we can
discuss of it, then where ?
Contrarily to you I find a good fit with religion. And vL&S did not use blank
shots.
Armel
> Message du 30/08/18 13:48
> De : "Alan Hewat"
> A : "rietveld_l@ill.fr"
> Copie à
>
>
David Elbert
> Hopkins Extreme Materials Institute
Malone Hall
> Johns Hopkins University
> 3400 N. Charles St
> Baltimore, MD 21218
>
> (410) 516-5049
>
> elb...@jhu.edu
>
>
>
>
>
>
>
>
>
On Aug 29, 2018, at 12:09 PM, Larry
our
mind and a lot of chance- congratulations.
You dig.
Armel
> Message du 29/08/18 18:26
> De : "Von Dreele, Robert B."
> A : "Larry Finger" , "Le Bail Armel" , "Toby, Brian H."
> Copie à : "Rietveld_L@ill.fr"
>
those believing that the sense of the
words "structure determination" and
"structure refinement" are the same, and the others. You dig.
Best
Armel
> Message du 29/08/18 18:09
> De : "Larry Finger"
> A : "Le Bail Armel"
>Very few citations though;
The fact is that you don't cite this couple of examples in your own list of
selected publications :
http://hewat.net/science/
If you find them of poor interest, the World follows you.
Armel
PS - A positive search-match (using the COD) signifies that the
Hi,
After the IUCr Monograph on Crystallography 13 (2002)
entitled "Stucture Determination from Powder Diffraction Data"
you may find in the preface :
"Although the Rietveld method of structure refinement from powder
diffraction data is often loosely considered to be synonymous with structu
http://home.wxs.nl/~rietv025/
It has suddenly disappeared a few days ago.
A copy can be found here :
http://www.cristal.org/rietv025/
Armel
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Argh ! Shame on us three !
But be careful to not confuse an example with a counter-example ;-)
In 1986 had already started the times where Rietveld was so famous that giving
his name in the paper was sufficient. You can probably find >20.000 such papers
citing the Rietveld method and not
Another example showing that Loopstra and van Laar (and Breed) recognized
Rietveld as the main author as soon as 1968 in
Physics Letters 26A(11) 1968, 526.
"The final proof that preferred orientation effects could in this way be
removed from the results, was afforded by the excellent agreeme
it - opinion, the first kind
> of knowledge according to the Dutch philosopher, and "the only source of
> falsity" :-) Scientists try to approach the second kind of knowledge
> (reason). The third kind is divine truth, and even Armel cannot ask for that.
>
On Tue, 21 Aug
Dear Rietvelders,
The last sentence of the van Laar & Schenk paper is :
"It seems to us justified to replace the name ‘Rietveld method’
in the future by the working title of the past: ‘profile method,’
or to honour the inventor by using ‘Loopstra method’."
So, shame on Rietveld for having st
>"...the method did not suddenly appear in a flash of inspiration of a single
>person, but was the result of the work of three individuals... Loopstra, van
>Laar and Rietveld.".
And more precisely :
" HS wrote in Dutch:
‘Loopstra had the idea that it should be better to use the whole
raphers for 20 years he himself
doubted the value of profile refinement.
>
And no I don't think the crystallographic establishment should get to name it.
Everyone knows what "profile refinement" means.
>
On Sat, 18 Aug 2018 at 11:29, Le Bail Armel wrote:
>
&g
Hi,
>As I get older, I believe less and less in legends. In the IUCr 1999 issue
>that I cited, I should have also mentioned that there is an interesting
>article on p.4 called "The Powder Diffraction Handicap" by Armel le Bail :-)
Indeed, "never say never" is verified again. The powder di
>Probably, that's how legends begin.
Your presence on so many pictures together with Hugo Rietveld, suggests that
your responsibility in establishing and approving the legend is quite high,
between 30 and 60% maybe, but I recognize that Rwp is poorly satisfying for
this fit.
http://home.
Hi,
Sorry for that blank email...
Since times are to old stories about the Rietveld method, I first
heard about it in 1975-76 during my "3ème cycle" thesis in D. Grandjean
laboratory, Rennes, France, under the direction of D. Louër. The thesis
was about profile-shapes broadening due to powder
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Hi,
>And no, Rietveld didn't invent an intensity extraction algorithm later used by
>LeBail; Pawley's code predated LeBail, and both are more related to classical
>ideas of peak extraction than to Rietveld.
I would personnally agree with Brian and reformulate :
And yes, Rietveld invent
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