Re: Misconduct
Apart from the apparent manipulation of the x-ray refinement, many aspects of the original article should have aroused suspicion. Any long paper with 66 citations should be returned for revision. The paper claims to optimise the heating of magnetic nanoparticles dispersed in a biological medium subjected to a fluctuating magnetic field, by doping magnetite with Tb. Such magnetic colloids are used to apply moderate local heat at cancer sites in a treatment called "magnetic hyperthermia". Heat therapy has a long history going back to the treatment of syphilis, but how effective it is, is not clear. And it seems unlikely that doping a magnetite colloid is going to greatly increase its efficiency to generate heat in a magnetic field, but perhaps it depends on how dispersed the particles are, as the authors claim. They should perhaps have concentrated on demonstrating the claimed improved performance. Jumping to HREM and Rietveld Refinement of the structure of the doped magnetite nanoparticles is bizarre. Just because you have all these techniques available doesn't mean that they can contribute, even if the data is not manipulated. Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com +33.476984168 VAT:FR79499450856 http://NeutronOptics.com/hewat ___ On Wed, 27 Mar 2024, 07:26 Le Bail Armel, wrote: > Retracted : > https://link.springer.com/article/10.1038/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 the first 30 in the list, 3 show image > manipulations (10%). > > Here is the third: > https://pubpeer.com/publications/D73F5F6BA8C67E6F891F25D9A25790#1 > > Best > > ALB > > *envoyé :* 12 janvier 2024 à 12:57 > *de :* Le Bail Armel > *à :* Rietveld_L > *objet :* Misconduct > > 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 > > > > > ++ Please do > NOT attach files to the whole list Send commands to 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/ > ++ lists...@ill.fr> > > > ++ > Please do NOT attach files to the whole list > > Send commands to 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/ > ++ > > ++ Please do NOT attach files to the whole list Send commands to 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/ ++
Legendre polynomial coefficient
Dear Rietveld users I have some data collected on a synchrotron line on reflection mode. The sample is an ancient steel (Fe alpha + Fe3C). The aim is to analyzed Fe/Fe3C in order to get the carbon content. The total scattering volume is obviously not constant with 2 theta. We can observe an increase of the background and the Rietveld refinement is not possible, but the Le Bail fit is good (see on the link). In order to get a good Rietveld refinement, I would like to modified the data (Sorry !! I known is not acceptable ! Joke). The idea is to use the background to modified the intensities, in order to get a flat background. I would like to use the Legendre polynomials coefficients to do this correction. Does someone know how to to that ? Link for the images https://perso.univ-lemans.fr/~fgouten/Legendre Best wishes, francois -- * Pr. Francois GOUTENOIRE e-mail:francois.gouteno...@univ-lemans.fr Tel: 02.43.83.33.54 FAX: 02.43.83.35.06 Institut des Molécules et des Matériaux du Mans IMMM - UMR CNRS 6283 Elaboration et Caracterisation des Composés Cristalisés (E3C) Université du Maine - Avenue Olivier Messiaen F-72085 Le Mans Cedex 9 FRANCE * Formation Rietveld CNRS https://cnrsformation.cnrs.fr/diffraction-des-rayons-x-sur-materiaux-polycristallins?axe=135 Formation EDX CNRS https://cnrsformation.cnrs.fr/fluorescence-x-edx?axe=135 Formation SAXS et Réflectivités pour couches minces et matériaux nanostructurés. https://cnrsformation.cnrs.fr/caracterisation-des-materiaux-nanostructures-par-diffusion-des-rayons-x?axe=135 Bibliographie https://scholar.google.fr/citations?hl=fr&user=qC-lmN4J&view_op=list_works&authuser=1&sortby=title https://orcid.org/-0001-5339-3002 ++ Please do NOT attach files to the whole list Send commands to 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/ ++
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 programs assume constant volume. Have a look at a previous paper of mine https://espace.curtin.edu.au/handle/20.500.11937/50104 and in particular, §2.1 Flat-plate asymmetric reflection. Hope it all makes sense Matthew On Wed, 27 Mar 2024 at 22:24, francois Goutenoire < francois.gouteno...@univ-lemans.fr> wrote: > Dear Rietveld users > > I have some data collected on a synchrotron line on reflection mode. > > The sample is an ancient steel (Fe alpha + Fe3C). The aim is to analyzed > Fe/Fe3C in order to get the carbon content. > > The total scattering volume is obviously not constant with 2 theta. > > We can observe an increase of the background and the Rietveld refinement > is not possible, but the Le Bail fit is good (see on the link). > > In order to get a good Rietveld refinement, I would like to modified the > data (Sorry !! I known is not acceptable ! Joke). > > The idea is to use the background to modified the intensities, in order to > get a flat background. > > I would like to use the Legendre polynomials coefficients to do this > correction. > > Does someone know how to to that ? > > Link for the images https://perso.univ-lemans.fr/~fgouten/Legendre > > Best wishes, francois > > -- > * > Pr. Francois GOUTENOIRE > e-mail: francois.gouteno...@univ-lemans.fr > Tel: 02.43.83.33.54 > FAX: 02.43.83.35.06 > Institut des Molécules et des Matériaux du Mans > IMMM - UMR CNRS 6283 > Elaboration et Caracterisation des Composés Cristalisés (E3C) > Université du Maine - Avenue Olivier Messiaen > F-72085 Le Mans Cedex 9 > FRANCE > * > Formation Rietveld > CNRShttps://cnrsformation.cnrs.fr/diffraction-des-rayons-x-sur-materiaux-polycristallins?axe=135 > Formation EDX CNRShttps://cnrsformation.cnrs.fr/fluorescence-x-edx?axe=135 > Formation SAXS et Réflectivités pour couches minces et matériaux > nanostructurés.https://cnrsformation.cnrs.fr/caracterisation-des-materiaux-nanostructures-par-diffusion-des-rayons-x?axe=135 > Bibliographiehttps://scholar.google.fr/citations?hl=fr&user=qC-lmN4J&view_op=list_works&authuser=1&sortby=titlehttps://orcid.org/-0001-5339-3002 > > ++ > Please do NOT attach files to the whole list > > Send commands to 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/ > ++ > > ++ Please do NOT attach files to the whole list Send commands to 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/ ++
