ILL Annual FullProf School: Material Science - 31 March/04 April 2025 - Grenoble

2025-01-28 Thread FPSchool
Dear Colleagues, We are pleased to announce the 2025 School on Neutron Diffraction Data Treatment using the FullProf Suite. The first session will focus on the analysis of diffraction data from energy materials and will be held at the Institut Laue-Langevin in Grenoble from March 31 to April

Reminder! ILL Annual FullProf School - 30 January / 03 February 2023 - Grenoble

2022-12-13 Thread FPSchool
/2022 à 16:13, fpschool a écrit : Dear Colleagues, We are pleased to announce the 2023 ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite, which will take place at the Institute Laue-Langevin, in Grenoble, from 30 January to 03 February 2023. We invite you to visit

2023 ILL Annual FullProf School - 30 January / 03 February 2023 - Grenoble

2022-11-18 Thread fpschool
Dear Colleagues, We are pleased to announce the 2023 ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite, which will take place at the Institute Laue-Langevin, in Grenoble, from 30 January to 03 February 2023. We invite you to visit our website https

Re: R 3 m:R in fullprof

2022-08-10 Thread 에너지환경연구팀
Dear Zajdel, I am literally touched, thanks for your kind reply! I sent my question to the fullprof support team as you told me. I will share the reason and solution as soon as I receive. Thanks for your expertise again. Best regards, Do-Yeon, Kim

Re: R 3 m:R in fullprof

2022-08-10 Thread 에너지환경연구팀
refine regardless of rhombohderal phase. Is it possible to earn different results depending on the choice of axe, even though it is same structure..?! Anyways, I am going to send our discussion to the fullprof support team on the fullprof homepage. Also, if you feel free and have spare time

Re: R 3 m:R in fullprof

2022-08-09 Thread Fernando Igoa
Dear Kim, Are you sure you are deleting/adding the atoms generated by the change of system? Otherwise did you check if the occupations remain the same for the atoms after refining in each system? Like the true chemical occupations, not the occupation number refined in fullprof. Because in

R 3 m:R in fullprof

2022-08-09 Thread 에너지환경연구팀
Hello, all experts I figured out the excited update in fullprof, which was we can do refine the primitive cell of rhombohedral group immediately. (https://www.ill.eu/sites/fullprof/php/FullProf_News_2022.htm#2007) Fullprof News - 2022<https://www.ill.eu/sites/fullprof/php/FullProf_News_2

Re: Introduction of non-structural peaks in Fullprof

2022-04-25 Thread Andreas Leineweber
:*rietveld_l-requ...@ill.fr *On Behalf Of *Alan W Hewat *Sent:* 25 April 2022 15:50 *To:* rietveld_l@ill.fr *Subject:* Re: Introduction of non-structural peaks in Fullprof Dear Thierry and Magnus. Introducing an extra pseudo-phase, and then editing out all the peaks you don't want, is inge

Re: Introduction of non-structural peaks in Fullprof

2022-04-25 Thread Alan W Hewat
OK Magnus, I see your point. But making a background file is not very work intensive, even for lots of samples. It's just clicking on points on a computer plot, and if its diffuse/disorder scattering the background will only vary slowly. If you only have a couple of extra peaks, you can also exclud

RE: Introduction of non-structural peaks in Fullprof

2022-04-25 Thread Magnus Sørby
regards, Magnus From: rietveld_l-requ...@ill.fr On Behalf Of Alan W Hewat Sent: 25 April 2022 15:50 To: rietveld_l@ill.fr Subject: Re: Introduction of non-structural peaks in Fullprof Dear Thierry and Magnus. Introducing an extra pseudo-phase, and then editing out all the peaks you don't

Re: Introduction of non-structural peaks in Fullprof

2022-04-25 Thread Thierry Roisnel
    Dear Magnus,     Here is a way to fit independent peaks in FullProf : 1. edit .pcr file and add for every independent peak an artificial phase to treat in Profile Matching refinement mode (Jbt=2 and Irf=0). You can use P m m m space group for example and adjust the a parameter to fit

Re: Introduction of non-structural peaks in Fullprof

2022-04-25 Thread Alan W Hewat
machines. Alan Dr Alan Hewat, NeutronOptics Grenoble, FRANCE (from phone) alan.he...@neutronoptics.com +33.476984168 VAT:FR79499450856 http://NeutronOptics.com/hewat ___ On Mon, 25 Apr 2022, 11:20 Magnus Sørby, wrote: > Hi, > > > > I’m playi

Introduction of non-structural peaks in Fullprof

2022-04-25 Thread Magnus Sørby
Hi, I'm playing with Fullprof again for the first time in many years since I've changed employer and lost my access to Topas. Is it possible to introduce independent peaks (i.e. peaks whose positions are not determined by a unit cell) with refinable positions, intensities and

RE: Need FullProf Manual V2

2021-03-14 Thread Marine Reynaud
Another source of information for the FullProf Suite can be found in the documentation and exercises of the annual FullProf School. The documents of the last edition are available here: https://workshops.ill.fr/event/162/ Best regards, Marine From: rietveld_l-requ...@ill.fr On Behalf Of

RE: Need FullProf Manual V2

2021-03-14 Thread Marine Reynaud
Dear Jim, All updates of the FullProf Suite are commented in the "news" that you can find at https://www.ill.eu/sites/fullprof/php/FullProf_News.htm or in the fp2k.inf file that is saved in the folder C:\FullProf_Suite\Docs when you install the program on your computer (you can als

Need FullProf Manual V2

2021-03-13 Thread Cline, James P. Dr. (Fed)
Ok, several people have been kind enough to sent me a copy of the manual that says it's "Version July2001"; Is this the current version? Best, Jim Hi, I'm looking for a copy of the technical manual for FullProf. The link on their website doesn't work. Can someo

RE: Need FullProf Manual

2021-03-13 Thread Cline, James P. Dr. (Fed)
Radovan, Yes, This link: https://www.ill.eu/sites/fullprof/downloads/FullProf_Manual.zip is the one that doesn't work Best regards, Jim James P. Cline Materials Measurement Science Division National Institute of Standards and Technology 100 Bureau Dr. stop 8370 [ B113 / Bld

Need FullProf Manual

2021-03-13 Thread Cline, James P. Dr. (Fed)
Hi, I'm looking for a copy of the technical manual for FullProf. The link on their website doesn't work. Can someone send me a copy for the current version (or fix the link)? Thanks!!! Jim James P. Cline Materials Measurement Science Division National Institute of Standards and

RE: Need FullProf Manual

2021-03-13 Thread Radovan Cerny
Hi Jim, I think you find everything on https://www.ill.eu/sites/fullprof/ Best wishes Radovan Radovan Cerny Laboratoire de Cristallographie Université de Genève 24, quai Ernest-Ansermet CH-1211 Geneva 4, Switzerland Phone : [+[41] 22] 37 964 50, FAX : [+[41] 22] 37 961 08 mailto

Question regarding FullProf limits for unit cell parameters

2020-10-30 Thread Holger Putz (Crystal Impact)
: ! Limits for selected parameters : 1 4.7 4.8 0. 0 Cell_A_ph1_pat1 After running FullProf, I found the following section in the .out-file: => The following parameter limits have been read: -> Parameter no.:1 Limits: 4.70004.8000 Step

Re: fullprof program window refresh

2020-04-16 Thread Többens , Daniel
...@spin.cnr.it: Dear all, I'm using Fullprof. After starting the refinement, the "fullprof program" window opens showing the progress of the calculation. Unfortunately, if I change the window during the calculation (for example for checking e-mail) and then come back to fullprof, the &q

fullprof program window refresh

2020-04-16 Thread alberto . martinelli
Dear all, I'm using Fullprof. After starting the refinement, the "fullprof program" window opens showing the progress of the calculation. Unfortunately, if I change the window during the calculation (for example for checking e-mail) and then come back to fullprof, the &q

2019 ILL Annual FullProf School - 21/26 October 2019 - Grenoble

2019-05-14 Thread fpschool
Dear Colleagues, We are pleased to announce the 2019 ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite, to be held at the Institute Laue-Langevin, in Grenoble, from 21 to 26 October 2019. We invite you to visit our website https://workshops.ill.fr/e

Fullprof multi pattern (TOF + RX)

2019-02-22 Thread François Goutenoire
Dear Rietveld users, One more question ! Does any one has performed a mixed (TOF+RX) refinement with Fullprof ? I would like to have an *.pcr file for model. Best Whishes, Francois -- * Pr. Francois

10th ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite, 16-20 October 2017, Grenoble

2017-08-31 Thread fpschool
Dear Colleagues, We would like to remind you that the deadline to apply for the School is 8 September. The *10**^th **ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite* will be held in Grenoble at the Institute Laue-Langevin from October 16^th to October 20

10th ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite, 16-20 October 2017, Grenoble

2017-06-28 Thread fpschool
Dear Colleagues, We are pleased to announce the *10**^th **ILL Annual School on Neutron Diffraction Data Treatment using the FullProf Suite*, to be held in Grenoble at the Institute Laue-Langevin from October 16^th to October 20^th 2017. We invite you to visit our website https

Re: Making an unit cell with all sites occupied by multiple atoms in FullProf

2016-10-04 Thread Kotaro SAITO
== Site occupation in cif files seems to reflect “The normalized site occupation numbers in %”. So my understanding of this situation is following. - FullProf uses occupancy values in pcr files to calculate intensities, and the assumption written in .out

Re: Making an unit cell with all sites occupied by multiple atoms in FullProf

2016-10-03 Thread Leopoldo Suescun
have a correct cif output. Unless you keep that in mind and correct your output by hand when you finish your refinement. Best luck, Leo 2016-10-03 5:41 GMT-03:00 Kotaro SAITO : > Dear FullProf users, > > I would like to make a pcr file for a Heusler alloy with so-called A2 > structu

Making an unit cell with all sites occupied by multiple atoms in FullProf

2016-10-03 Thread Kotaro SAITO
Dear FullProf users, I would like to make a pcr file for a Heusler alloy with so-called A2 structure, in which three atoms are completely disordered. (See Fig.1 in http://dx.doi.org/10.1088/0022-3727/48/16/164011 or this direct link http://cdn.iopscience.com/images/0022-3727/48/16/164011/Full

Absorption Correction in Fullprof

2016-09-28 Thread 大山研司
Dear all, I am trying magnetic structure refinement by Fullprof using ToF neutron data. Does anyone know the definition of absorption parameters, ABS: ABSCOR1 ABSCOR2 in PCR files of Fullprof? I cannot find the physical meaning of the parameters, ABSCOR1 ABSCOR2, on the manual, relative

Fwd: Fullprof and OSX El Capitan

2016-01-03 Thread Joost van Duijn
Dear all, After various requests I am forwarding the following email I received from Ivelisse Cabrera regarding the question I posted about Fullprof an OSX el Captain. I apologise for not doing so sooner, I thought it had been posted to the list. Cheers, Joost > Begin forwarded mess

Fullprof and OSX El Capitan

2015-11-06 Thread Joost van Duijn
Hi all, I recently updated my Mac to the latest version of OSX (El Capitan) and now Fullprof has stopped working. It says it can't find OpenMotif. It was installed under my previous version of OSX. I tried to reinstall it and now can't make the symbolic link using: sudo ln -s /Ap

RE: Selective peak broadening - interpretation and handling in FullProf

2015-09-30 Thread Radovan Cerny
-- De : Kotaro SAITO [mailto:kotaro.sa...@kek.jp] Envoyé : mercredi 30 septembre 2015 10:15 À : Radovan Cerny Cc : Alan Hewat; loba...@inorg348-1.chem.msu.ru; Rietveld_l@ill.fr; l_solov...@yahoo.com Objet : Re: Selective peak broadening - interpretation and handling in FullProf Dear Radovan and Rietve

Re: Selective peak broadening - interpretation and handling in FullProf

2015-09-30 Thread Kotaro SAITO
> de Kotaro SAITO > Envoyé : vendredi 7 août 2015 09:49 > À : Alan Hewat; loba...@inorg348-1.chem.msu.ru; Rietveld_l@ill.fr; > l_solov...@yahoo.com > Objet : Re: Selective peak broadening - interpretation and handling in > FullProf > > > Alan and Maxim, > > Tha

Fullprof ATZ

2015-09-07 Thread Karel Knizek
Dear Fullprof users, My question regards calculation of molar/weight ratio of phases: I want to calculate molar ratio, so I want to set parameter ATZ simply ATZ = Z (number of formula units), but Fullprof (Version 5.60 - Jan2015) automatically calculate ATZ = Z·Mw (molecular weight), so that

RE: Selective peak broadening - interpretation and handling in FullProf

2015-08-10 Thread Radovan Cerny
-1.chem.msu.ru; Rietveld_l@ill.fr; l_solov...@yahoo.com Objet : Re: Selective peak broadening - interpretation and handling in FullProf > Alan and Maxim, Thanks for the comment and the article. I relieved that I know the point. > Leonid, Yes, the instrumental resolution itself increases

Re: Selective peak broadening - interpretation and handling in FullProf

2015-08-07 Thread Kotaro SAITO
> Alan and Maxim, Thanks for the comment and the article. I relieved that I know the point. > Leonid, Yes, the instrumental resolution itself increases with d (or TOF). But it is still strange for me that only all-odd peaks show different d-dependence from CeO2 and other all-even peaks in terms

Re: Selective peak broadening - interpretation and handling in FullProf

2015-08-04 Thread Leonid Solovyov
Message - From: Kotaro SAITO To: Radovan Cerny ; l_solov...@yahoo.com Cc: "Rietveld_l@ill.fr" Sent: Tuesday, August 4, 2015 4:54 PM Subject: Re: Selective peak broadening - interpretation and handling in FullProf Dear Radovan and Leonid, Thanks for your comments. Both papers are very i

Re: Selective peak broadening - interpretation and handling in FullProf

2015-08-04 Thread Alan Hewat
On 4 August 2015 at 11:54, Kotaro SAITO wrote: > Or do I miss some basic points about diffraction? I won't try to address your specific material... and I'm being called to lunch :-) But for beginners who may be lost in these technical papers, I will attempt the following trivial explanation If

Re: Selective peak broadening - interpretation and handling in FullProf

2015-08-04 Thread Kotaro SAITO
unsolvated magnesium borohydride Mg(BH4)2 > > J.-H. Her, P. W. Stephens, Y. Gao, G. L. Soloveichik, J. Rijssenbeek, M. > Andrus and J.-C. Zhao > > > > In Fullprof there are few models of line broadening, but I do not know > whether any of them can be used for your case.

Re: Selective peak broadening - interpretation and handling in FullProf

2015-07-31 Thread Leonid Solovyov
eonid *** - Original Message - From: Kotaro SAITO To: Rietveld_l@ill.fr Cc: Sent: Friday, July 31, 2015 2:14 PM Subject: Selective peak broadening - interpretation and handling in FullProf Dear Rietvelders, There is two things I would like t

RE: Selective peak broadening - interpretation and handling in FullProf

2015-07-31 Thread Radovan Cerny
J.-C. Zhao<http://scripts.iucr.org/cgi-bin/citedin?search_on=name&author_name=Zhao,%20J.-C.> In Fullprof there are few models of line broadening, but I do not know whether any of them can be used for your case. In Topas you may create any model of line broadening using the macro langu

Selective peak broadening - interpretation and handling in FullProf

2015-07-31 Thread Kotaro SAITO
nyone know good literatures to get some hints for this? I have checked “Defect and Microstructure Analysis by Diffraction” by Snyder, Fiala, and Bunge, but I couldn’t find descriptions about selective peak broadening. 2. Handling selective peak broadening in FullProf The manual says “there is a numb

Problem with plotting distance using sequential mode in Fullprof

2015-03-26 Thread Xueying Hai
Hello everyone, My name is Xueying Hai and I'm currently doing my PhD at Institut Néel in Grenoble. I recently used the sequential mode in Fullprof to help refining neutron diffraction data. Overall it works very well, however, I have had huge problems when I ask Fullprof to read the

Re: Quantitative phase analysis on FullProf

2015-02-26 Thread Kotaro SAITO
Thank you all for kind replies. Following the advices, I ran FullProf putting ATZ=0 for both phases and I got the consistent weight fractions with my calculation using Wp=S_p(ZMV)_p/ΣS_i(ZMV)_i. Actually I found a description about ATZ=0 in fp2k.inf after getting replies. I am sorry for

Re: Quantitative phase analysis on FullProf

2015-02-24 Thread Aga Shahee
Dear Dr. Sato, Please try an old version of Fullprof. The latest version of Fullprof is give a wrong ATZ value. I suffered with same problem in the FullProf_Suite_OCT-2014 version and then I used FullProf_Suite_September2012 version. The FullProf_Suite_September2012 version is give an accurate

Re: Quantitative phase analysis on FullProf

2015-02-24 Thread Patrick Weisbecker
phase analysis on FullProf Dear Rietvelders, Does anyone know how FullProf calculates weight fractions “Fract(%)” in a .sum file? or Is there any known bugs for calculating ATZ? According to the manual, it seems that ATZ is used for calculating the values... but no further information is written

Re: Quantitative phase analysis on FullProf

2015-02-24 Thread Carlos Andre de Castro Perez
Dear Dr. Sato, You can try to run Fullprof putting ATZ = 0.00 for the fases in control file (*.pcr ). Then the program will automatically calculate the Atz values. Atz is the mass of the unit cell in atomic units. Ex: !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZNvk Npr More 2

RE: Quantitative phase analysis on FullProf

2015-02-24 Thread Arto Ojuva
Hi Kotaro ATZ is the Z*Mw*f that you were calculating. You can find it described in the FullProf manual .pdf file around page 91 (or search for “ATZ”), and it is given for each phase in the line : !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth ATZNvk Npr More You can calculate it

Quantitative phase analysis on FullProf

2015-02-24 Thread Kotaro SAITO
Dear Rietvelders, Does anyone know how FullProf calculates weight fractions “Fract(%)” in a .sum file? or Is there any known bugs for calculating ATZ? According to the manual, it seems that ATZ is used for calculating the values... but no further information is written in the manual. I am also

Fwd: RE: FullProf

2015-01-29 Thread Maxim V. Lobanov (MSU)
quality and simultaneously can clearly recognize two types of shift, refine sequentially and (you can do this in Fullprof) set as low shift (via parameter code) as possible - this would make the refinement a bit more stable. Sincerely, Maxim. _ Maxim V. Lobanov Department of

RE: FullProf

2015-01-14 Thread Yokochi, Alexandre
If I recall it correctly (haven't had the opportunity to play with Fullprof for a few years) Sycos is an instrument misalignment/sample transparency correction parameter. Perhaps you are using an impossible initial value for it - should be very close to zero. As I share with my studen

Re: FullProf

2015-01-14 Thread Lubomir Smrcok
well, do you know why are you refining just that parameter ? lubo On Wed, 14 Jan 2015, Josh Kim wrote: Dear Rietvelds, I am new to FullProf, and am familiar with the difficulty in preparing a decent .pcr file, but have run into a problem to which I cannot pinpoint the error: During the

FullProf

2015-01-14 Thread Josh Kim
Dear Rietvelds, I am new to FullProf, and am familiar with the difficulty in preparing a decent .pcr file, but have run into a problem to which I cannot pinpoint the error: During the first iteration of refinement I get the following message: "Singular Matrix!! Problem with SyCos_pat1 n

Re: strange behavior in simulation of FullProf?

2014-12-16 Thread Kotaro SAITO
Dear Pawel, Rietvelders Thank you for your response. I have got no reply from FullProf developers yet. I found this phenomenon on the latest version of FullProf Suite for Mac called September-2014 on the website and also called Version 5.30 - Mar2012 in the FullProf Program window. I have also

strange behavior in simulation of FullProf?

2014-12-02 Thread Kotaro SAITO
Dear all, I found something strange when I was checking simulated magnetic intensities of a tetragonal ferromagnetic compound using FullProf with Jbt=-3, Isy=-2 or -1. Without any change in a pcr file, calculated magnetic intensities in the .out file vary every time I run FullProf. In addition

Re: Fullprof manual?

2014-07-18 Thread Eduard E. Levin
Dear all, thanks a lot for the manual copies! I have now a large collection of them :) I believe Emma Suard has already contacted the responsible person about the issue with download link. Sincerely, Eduard. On Fri, 18 Jul 2014 10:21:45 +0200, Alan Hewat wrote > Did you try clicking "Support"

Re: Fullprof manual?

2014-07-18 Thread Alan Hewat
n 18 July 2014 09:18, Eduard E. Levin wrote: > Dear Rietvelders, > > recently I had an urge in reading Fullprof manual, but found that it is not > available via the link: > http://www.ill.eu/sites/fullprof/downloads/FullProf_Manual.zip > > All I can see is the error messa

Fullprof manual?

2014-07-18 Thread Eduard E. Levin
Dear Rietvelders, recently I had an urge in reading Fullprof manual, but found that it is not available via the link: http://www.ill.eu/sites/fullprof/downloads/FullProf_Manual.zip All I can see is the error message: The requested URL /sites/fullprof/downloads/FullProf_Manual.zip was not found

Different Refined Magnetic Moment Using GSAS and FullProf for Ru(V)

2014-05-28 Thread Hiley, Craig
Hi, I have collected some neutron diffraction data (using GEM, ISIS) of an antiferromagnetically ordered ruthenium (V) oxide (oxidation state is confirmed using various other methods). Refinement of the magnetic moment of the Ru(V) yields very different answers in FullProf and GSAS. The

Roughness correction using Fullprof

2014-02-18 Thread mariomacias
Hi All, Somebody know how to make surface roughness correction using Fullprof in Bragg-Brentano geometry? Thanks in advance for your help. Mario A. Macías Universidad Industrial de Santander Colombia. ++ Please do NOT attach files to

Non FATAL END in Fullprof

2013-12-18 Thread Artem Babaryk
Dear Rietvelders, I've faced with problem editing pcr-file that lead to error message "Non FATAL End of file !, logical unit: 1". After the check of a syntax of working pcr-templates, a problem remains still. What could be an issue? Best Regards, Artem

Re: Microstructural analysis by fullprof

2010-02-20 Thread Leonid Solovyov
, Krasnoyarsk, Russia www.icct.ru/eng/content/persons/Sol_LA sites.google.com/site/solovyovleonid *** --- On Fri, 2/19/10, Alice Courleux wrote: > From: Alice Courleux > Subject: Microstructural analysis by fullprof > To: rietveld_l@ill.

Microstructural analysis by fullprof

2010-02-19 Thread Alice Courleux
Dear Rietvelders, I am using Fullprof to microstructural analysis of particles. I have one type of particle but different sample with different sizes (particles increase after heat treatment). Their crystallites size fluctuates between 10nm and 1µm. I know that 1µm is big for a refinement

FPSchool-2010: Annual School on Advanced Neutron Diffraction Data Treatment using the FULLPROF suite

2010-01-25 Thread FPSchool - 2010
Dear Colleague, We draw your attention to the 3rd Annual School on Advanced Neutron Diffraction Data Treatment using the FULLPROF suite to be held in Grenoble at the ILL from 2 to 7 May 2010. We invite you to visit our website http://www.ill.fr/dif/FPSchool/ for more details and application

FPSchool-2010: Annual School on Advanced Neutron Diffraction Data Treatment using the FULLPROF suite

2010-01-25 Thread FPSchool - 2010
Dear Colleague, We draw your attention to the 3rd Annual School on Advanced Neutron Diffraction Data Treatment using the FULLPROF suite to be held in Grenoble at the ILL from 2 to 7 May 2010. We invite you to visit our website http://www.ill.fr/dif/FPSchool/ for more details and application

Re: Too many reflections in Fullprof

2010-01-22 Thread Carlos Andre de Castro Perez
Markus If you don´t want to loose your data points, you can edit the "fullprof.dim" file to define the dimension of the arrays in fullprof. The first value MAXPOINT value defines the maximum number of data points in your experimental data. A copy of this file should be in the same di

Re: Too many reflections in Fullprof

2010-01-22 Thread amartin
r "Ste" might help. From FullProf > manual: > -- > ISTEP=1,2,3,.. If ISTEP>1 the number of data points is reduced by > (Ste) a factor of ISTEP. Only those points corresponding to the > new step size ISTEP*STEP (see Line #3 below) are taken > into

Re: Too many reflections in Fullprof

2010-01-22 Thread Markus Valkeapää
Hi! Just a thought but increasing parameter "Ste" might help. From FullProf manual: -- ISTEP=1,2,3,.. If ISTEP>1 the number of data points is reduced by (Ste) a factor of ISTEP. Only those points corresponding to the new step size ISTEP*STEP (see Line #3 below) are taken

Too many reflections in Fullprof

2010-01-22 Thread amartin
Hello, I'm trying to run some old PCR files that I obtained 5 years ago by refining synchrotron data, but I have a problem. Now I'm working with the February 2008 Fullprof version and when I'm trying to run this old PCR files a "Stop/Warning Box" opens with the warning

Re: How to calculate "Occupation number" in FullProf

2009-12-03 Thread N.Perchiazzi
Occupation number" in FullProf Dear Huy, In order to minimise the information needed to describe a crystal structure, we use space groups that define the symmetry of the unit cell. Each space group has a different set of symmetry opperators that can generate multiple atoms in the unit cell whe

Re: How to calculate "Occupation number" in FullProf

2009-12-03 Thread Ross H Colman
have gnereated more atoms than there actually are. Some refinement programs deal with overgeneration internally, such as GSAS, but fullprof requires you to correct for overgeneration. The way you do this is to look up the multiplicity of the specific atomic site for that atom in the Inte

How to calculate "Occupation number" in FullProf

2009-12-03 Thread Huy LE-QUOC
Dear all, As a newbie in FullProf (and also in crystallography) I'm being confused with the parameter "Occupation number" (Occ). In fact, as indicated in the FullProf Manual: /"Occupation number i.e. chemical occupancy × site multiplicity (can be normalised to the

Re: FullProf

2009-11-17 Thread Michael Thomas Wharmby
Hi, Have you got openmotif installed - it's needed for running the graphical programs in Fullprof? Check by searching for openmotif in the Synaptic package manager. If it's not installed, install it and any dependencies it wants to install and then try tfp again. Regards, Michael

FullProf

2009-11-16 Thread Holger Kohlmann
Hi, installing FullProf_Suite_Oct09 under Linux (Ubuntu 9.10 Karmic Koala) along the lines given on the FullProf Homepage seemed to work fine, "echo $FULLPROF" gives the right directory. Starting FullProf, however, with "tfp" as a command in the shell results in &quo

Twinning in FullProf

2009-09-28 Thread Sikolenko Vadim
Dear Rietvelders, Does anybody know, how to input twinnig matrix in pcr file for FullProf? Is this option already realized? Vadim Sikolenko Dr.Vadim Sikolenko Laboratory for Neutron Scattering ETH Zürich and Paul Scherrer Institute tel

plotting sequential fullprof refinement

2009-08-26 Thread Joost van Duijn
Hi, I am fitting some variable temperature data using the sequential refinement option in Fullprof on a Mac and was wondering if anybody has tried this and if so how they mannaged to plot the data from the corresponding *.seq file. The seq button in winplotr-2006 to do this does not appear to

strain broadening using Fullprof

2009-07-31 Thread Joost van Duijn
Hi all, I am in the process of doing strain analysing on some HRPD data I collected using Fullprof. I have been reading the Fullprof manual as well as the additional Microstructural_effects.pdf file and was wondering if anybody knows to which reference "reference 17" (dealin

Tube-Tails in Fullprof

2009-07-23 Thread Gustavo A. Cifredo
Hi everybody: Is it possible to correct the tube tails in Fullprof? Thank you very much in advance. Gustavo A. Cifredo CASEM, Universidad de Cadiz Puerto Real (Cadiz), Spain 956-016155

RE: Question about Fullprof

2009-07-22 Thread Yokochi, Alexandre
xandre [mailto:alexandre.yoko...@oregonstate.edu] > Sent: Wednesday, July 22, 2009 3:10 PM > To: rietveld_l@ill.fr > Subject: Question about Fullprof > > Hi everyone, > > Does anyone remember offhand how to turn on the output that includes > calculated "particle size" when refining

Question about Fullprof

2009-07-22 Thread Yokochi, Alexandre
Hi everyone, Does anyone remember offhand how to turn on the output that includes calculated "particle size" when refining with a symmetry specific size model in Fullprof? I haven't looked at the program in a few years and am afraid I can't quite

Single crystal data format in FullProf

2009-04-29 Thread 정재호
Dear FullProf experts,   I am trying to use single crystal data for FullProf particularly for magnetic structures. I couldn't find desriptions for file format in the manual. Does anyone have a good description? Specifically, 1) What are the two integers following the wavelength in the

RE: changing scattering length of element in Fullprof [SEC=UNCLASSIFIED]

2009-04-22 Thread AVDEEV, Maxim
[mailto:allo...@lanl.gov] Sent: Thursday, 23 April 2009 7:27 AM To: rietveld_l@ill.fr; Hess, Nancy J Subject: changing scattering length of element in Fullprof Can anyone remind me how does one change the scattering length of an element when using fullprof? Thanks Anna Llobet -- Dr. Anna Llobet

Re: changing scattering length of element in Fullprof

2009-04-22 Thread Andrew Wills
On 22 Apr 2009, at 22:27, Anna Llobet wrote: Can anyone remind me how does one change the scattering length of an element when using fullprof? Thanks Anna Llobet -- Dr. Anna Llobet Lujan Neutron Scattering Center Los Alamos National Laboratory MSH805 Los Alamos, NM 87545, USA Phon

changing scattering length of element in Fullprof

2009-04-22 Thread Anna Llobet
Can anyone remind me how does one change the scattering length of an element when using fullprof? Thanks Anna Llobet -- Dr. Anna Llobet Lujan Neutron Scattering Center Los Alamos National Laboratory MSH805 Los Alamos, NM 87545, USA Phone: +1 505 665-1367 Fax: +1 505 665-2676

Re: U-V-W-X-Y in GSAS and FULLPROF

2009-03-16 Thread Magnus H. Sørby
Dear Arie, Going from GSAS to Fullprof, you have to multiply U, V and W with 2.35^2/1. I don't know about X and Y, because I never used the TCH-pV function in Fullprof. Best regards, Magnus > -Opprinnelig melding- > Fra: Van der Lee [mailto:avder...@univ-montp2.fr] > S

U-V-W-X-Y in GSAS and FULLPROF

2009-03-11 Thread Van der Lee
Dear all, Is there anyone who knows how to convert the U-V-W-X-Y profile parameters from GSAS to FULLPROF and vice versa. I have found bits and pieces here and there (centidegrees/degrees - (8ln2)^1/2), but have no clear overview how to do this exactly. thanks in advance, Arie

Using Fullprof with GEM data on MAC

2008-11-25 Thread Joost van Duijn
Hi, I am trying to refine some GEM data using Fullprof and while under Windows I have no problem doing this (ins=14) using the same pcr and data file on my macbook I get the following error: =>** PROGRAM FullProf.2k (Version 4.40 - Aug2008-ILL

2nd FullProf School at ILL (26-30 January 2009)

2008-11-17 Thread Gabriel Cuello
Dear all, The ILL is organising the 2nd Annual School on Advanced Neutron Diffraction Data Treatment using the FullProf Suite. The registration is already open and we would like to invite you to submit candidatures and to give the maximum diffusion in your institutes. Those interested can find

RE: question on size-strain analysis - question for Fullprof users

2008-11-13 Thread Leonid Solovyov
ject: RE: question on size-strain analysis - question for Fullprof users > To: rietveld_l@ill.fr > Date: Thursday, November 13, 2008, 1:00 PM > Dear Leonid, > thank you very much. Indeed it is not "really > simple": averaging procedure is not straightforward... > >

RE: question on size-strain analysis - question for Fullprof users

2008-11-13 Thread Maxim V. Lobanov
Dear Leonid, thank you very much. Indeed it is not "really simple": averaging procedure is not straightforward... Now a question to Fullprof users: it seems that Fullprof is using non-standard designation for TCH PV parameters. I mean by standard the one which is adopted e.g. in D.Ba

Fullprof School 2009

2008-10-04 Thread Gabriel Cuello
Dear all, The ILL is organising the 2nd Annual School on Advanced Neutron Diffraction Data Treatment using the FullProf Suite. The registration will be open the next October 10th and we would like to invite you to submit candidatures and to give the maximum diffusion in your institutes. Those

Re: Fullprof on mac OSX

2008-08-01 Thread Andrew Payzant
n our two cases, non-existent) folder /usr/OpenMotif-2.1.32-22i/ > > I figure I need to either install OpenMotif in /usr, or set a symlink there > pointing to the Fink installation. Or maybe we have to request that the > FullProf site maintainers redo the compilation. Anyone have any ideas

Re: Fullprof on mac OSX

2008-08-01 Thread Andrew Payzant
figure I need to either install OpenMotif in /usr, or set a symlink there pointing to the Fink installation. Or maybe we have to request that the FullProf site maintainers redo the compilation. Anyone have any ideas? Andrew On 7/30/08 4:48 AM, "Joost van Duijn" <[EMAIL PROTECTED]>

Fullprof on mac OSX

2008-07-30 Thread Joost van Duijn
Hi all, I have installed the latest version mac version of fullprof on my macbook (running the latest OSX version,10.5.4) and while fp2k etc work all the GUI programs (like winlotr-2006) do not, giving the following error: bash-3.2$ winplotr-2006 dyld: Library not loaded: /usr/OpenMotif

Issues with CODFILn.hkl in Fullprof

2008-06-25 Thread Pawel Zajdel
Dear All, I wonder if anyone is using Fullprof option to create file CODFILn.hkl where n is a phase number. If you do (as I did for magnetic phase), there seems to be a problem with some values written to this file and I couldn't find any previous information that it may happen. 1

Re: fullprof on suse 10.2? [SEC=UNCLASSIFIED]

2008-06-20 Thread Favre-Nicolin Vincent
Hi, > who has experience getting fullprof running on openSUSE linux 10.2? > > I get the following error: > > p0126n: /install/fullprof> uname -a > Linux p0126n 2.6.18.2-34-default #1 SMP Mon Nov 27 11:46:27 UTC 2006 i686 > i686 i386 GNU/Linux p0126n: /insta

fullprof on suse 10.2? [SEC=UNCLASSIFIED]

2008-06-19 Thread Klaus-Dieter Liss
Hello all, who has experience getting fullprof running on openSUSE linux 10.2? I get the following error: p0126n: /install/fullprof> uname -a Linux p0126n 2.6.18.2-34-default #1 SMP Mon Nov 27 11:46:27 UTC 2006 i686 i686 i386 GNU/Linux p0126n: /install/fullprof> ./fp_studio ./fp_studio:

RE: Sequence for varying parameters in FullProf

2008-05-27 Thread Alan Hewat
> You might want to have a read of this paper... Or else you could read the Fullprof manual :-) on http://www.ill.eu/sites/fullprof/php/tutorials.html in particular the chapter on "The Rietveld Method in Practice" which is good advice whatever Rietveld program you use. To quote: &qu

Re: Sequence for varying parameters in FullProf

2008-05-27 Thread Markus Valkeapaa
Also FullProf manual (comes with the program) gives suggestions about the sequence. -Markus -- Markus Valkeapaa Department of Chemistry Helsinki University of Technology P.O. Box 6100, FI-02150 TKK Office B206 tel. +358 9 451 2596, +358 44 290 2515 fax. +358 9 462 373 email [EMAIL

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