Hi Atul,
On Sat, May 4, 2013 at 5:10 PM, wrote:
> Hi Matt,
> Thanks for your reply !
>
>
> Sorry, and I don't mean to pick on you in particular, but just to
> emphasize Bruce's response. Did you really think your question could
> be answered with the data files?
>
> Well, I suppose the data fil
Hi Atul,
On Sat, May 4, 2013 at 10:21 AM, wrote:
> Hi Bruce,
> Thanks for the reply.
> Well I wasn’t aware of that actually !
Sorry, and I don't mean to pick on you in particular, but just to
emphasize Bruce's response. Did you really think your question could
be answered with the data files?
On Thu, May 2, 2013 at 2:00 AM, Alexander Riskin
wrote:
> Dear Amativa,
>
> Bruce is right, Ccleaner messed up your system and, unfortunately, beyond
> repair. Ccleaner promises indeed to remove unused DLL's from your system but
> is very bad at guessing which DLL's are really obsolete and has a t
> * *
>
> *Amitava Roy*
>
> *J. Bennett Johnston, Sr., Center for Advanced Microstructures and
> Devices (CAMD)*
>
> *Louisiana State University, Baton Rouge, LA 70806*
>
> ** **
>
> ___
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> If
Hi Kai,
On Tue, Apr 23, 2013 at 6:41 PM, Sanwald, Kai wrote:
> Hi,
>
> I would like to fit the NiFe2O4 spinel structure to EXAFS data of mixed
> Ni/Fe-(hydro)xide films.
> However, ATOMS cannot deal with structures exhibiting crystal sites with
> partial occupancies.
> I know that this problem ha
Hi Zhipeng Regen Lan,
On Thu, Apr 18, 2013 at 7:53 AM, Reagen Lan wrote:
> Dear all,
>
> For removing the background from a spec with sharp white-line, I understand
> it is often to put larger value for kmin of Spline range in Athena.
> However, in my current case, there is a intensive XANES peak
Hi Kicaj,
Just, to follow up on Bruce's comment: A single cluster with 1 Al
absorber and no Al scatterers does not really describe "1%" or even
"0.5%" doping. It is "0%" doping.
By "1% Al doping", you (probably) really mean that each Zn site has a
1% chance of being occupied by Al. I think tha
Hi Sandra,
On Sat, Apr 6, 2013 at 12:37 PM, Sandra Luber wrote:
> Dear Matt Newville,
>
> I do some fitting with ifeffit using EXAFS data generated by feff.
> I wonder how the R-factor is calculated. Unfortunately,
> I have not found any definition yet. Would it be possible
>
Hi Frank,
On Thu, Apr 4, 2013 at 3:11 PM, Frank Schima wrote:
> Hello list,
>
>
> I have created a port of ifeffit [1] on Macports [2] so that you can easily
> install ifeffit on Mac OS X. I have only run this myself on Mountain Lion
> (10.8), but I believe it built successfully on the Lion and S
Hi Matthew,
On Thu, Mar 28, 2013 at 11:04 AM, Matthew Marcus wrote:
> Many years back, when FEFF stopped being free, I was told that the decision
> was not Rehr's but forced by the university. Blame them.
> It's always easier and more pleasant for us to blame faceless university
> beauraucrats t
Hi Matthew, Bruce,
On Wed, Mar 27, 2013 at 10:33 AM, Matthew Marcus wrote:
> Some users do have FEFFx (x>6l) on their own, so it would be useful to
> prepare Artemis/Demeter/Larch... for them and provide
> methods for using higher versions if an executable is present.
I completely agree that th
Hi Matthew,
On Tue, 26 Mar 2013, Matthew Marcus wrote:
Just to put my bit in, I believe that the most significant advantage of
higher FEFF versions for EXAFS analysis is that it results in
more reasonable values for E0 for high-Z elements. I forget whether the
issue is high-Z scatterer or abs
Hi,
Sorry for coming in late in this conversation.
I won't disagree that Origin or Igor Pro can be used to make lovely
publication-quality graphics -- those are fine choices.
The poor quality of the graphics in the older versions of Ifeffit /
Horae was always been a disappointment to me. It's
Hi Jeff,
On Thu, Mar 21, 2013 at 9:32 PM, IIT wrote:
> Hi Matt,
>
> No problem. I have succeeded in building and running ifeffit and pgplot on
> Mac OS X Mountain Lion 10.8.2. I thought this was the first step in building
> Demeter?
>
> Should I be using Larch instead for this?
>
I'd say Yes.
Hi Jeff,
Hope it's OK, but I'm CCing this to the ifeffit mailing list. I've
officially abandoned support for the Fortran version of Ifeffit, but I
know many people are still using it, so I'll try to give some
pointers. I haven't tried building on 10.8 (but Larch works fine for
me on it).
On
Hi Lisa,
On Fri, Feb 22, 2013 at 4:04 PM, Gudrun Lisa Bovenkamp
wrote:
> Hey Bruce,
>
> I was wondering how the width in the peak fitting tool of Athena is
> connected to the real data. What I mean is:
> A gaussian peak with a width of 1 (eV ?) seems to have a FWHM of 2 eV.
>
> Is it possible tha
On Wed, Feb 20, 2013 at 10:31 PM, Jeremy Thorbahn wrote:
>
> I can't help but wonder how much of this message chain is set forth by a
> missed Star Wars reference.
Oh, I think if the reference had been missed, neither Bruce nor I
would have responded.The implication was that John, perhaps in
> On Wednesday, February 20, 2013 11:56:25 AM John Hayes wrote:
>> Thank you for your reply. I find your lack of faith...disturbing,
I'd like to take this opportunity to emphasize two points I've made
several times before. John, I apologize if it sounds like I'm
picking on you. I don't mean to
On Feb 15, 2013 5:36 PM, wrote:
>
> Hi Bruce,
> how to transform a mol2 format file into a cif fomat file to obtain the
crystal structure. please see the attachment.
>
> Shaofeng
>
http://lmgtfy.com/?q=mol2+to+cif
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Hi Jason, Chris,
On Fri, Jan 25, 2013 at 10:01 AM, Jason Gaudet wrote:
> Hi Chris,
>
> Might be helpful also to link to the archived thread you're talking about.
>
> http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2006-June/007048.html
>
> Bruce might have to correct me on this, but if I remem
Hi Soma,
On Tue, Jan 22, 2013 at 11:11 AM, Soma Chattopadhyay
wrote:
>
> Hello:
>
> 1) Is there any reference which states what the error bars for Eo, Delr , SS
> and CN should be so that the fit with its parameters is regarded to be of
> publishable quality?
I don't think one can set a general
Todd, Bruce,
On Wed, Jan 9, 2013 at 2:05 PM, Bruce Ravel wrote:
> On Wednesday, January 09, 2013 07:43:34 PM Monson, Todd wrote:
>> When making my own feff input file, how should the data be delimited. When
>> looking at existing feff input files I see a mixture of different spaces
>> and tabs a
Hi Bruce,
Again, sorry (ever so slightly -- the skiing was great!!) for the
delay. I think (not 100% sure) I understand have solved the trouble
with wxmplot on ubuntu.
On an ubuntu 12.04 system (that had been upgraded a few times, and is
begging to be updated to 12.10), I saw that importing wxm
/xafs.org/BruceRavel
> Software:https://github.com/bruceravel
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>
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Hi Zhaomo,
On Wed, Dec 26, 2012 at 5:23 AM, Zhaomo Tian wrote:
>
> Dear all,
>
> I am confused about the degeneracy and the coordination number used in the
> Artemis program.
> I want to get the coordination number of 1st shell of my copper sample, so I
> set a guess number N1=12(initial guess)
Hi Zhaomo,
On Thu, Dec 20, 2012 at 7:13 PM, Zhaomo Tian wrote:
>
> Dear XAFS community,
>
> I think I need explain my 1st question in a more specific way for your better
> understanding.
>
> If in one fitting round, we get the value of N*S02, E0, R, and sigma2 which
> is generated automaticall
Hi Zhaomo,
On Thu, Dec 20, 2012 at 1:15 AM, Zhaomo Tian wrote:
>
> Dear XAFS community,
>
> I start my first EXAFS data analysis practice with Cu first shell fitting.
> I have 3 questions:
>
> 1.Usually what are the stratages I can use to refine the fitting?The
> floated parameters for each path
but
there will be no more releases or bug fixes for the Ifeffit 1.2
series. The code is available if someone else wants to maintain it.
Thanks,
--Matt Newville
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ht be
the best chance for measuring Be in a protein.I'm not sure I know
any beamlines that do X-ray Raman on proteins, but I'd suggest APS
beamline 20-ID or ESRF beamline as places to start. The next
questions would be "how many Be atoms are in your protein?", and
Hi Matthew,
On Fri, 14 Dec 2012, Matthew Marcus wrote:
On 12/14/2012 4:10 PM, Matt Newville wrote:
Hi Matthew,
On Thu, Dec 13, 2012 at 11:28 PM, Matthew Marcus wrote:
Oh, I meant that for each energy point measured you could use the
different fluorescence channels to compute a mean value
Hi Matthew,
On Thu, Dec 13, 2012 at 11:28 PM, Matthew Marcus wrote:
>
>> You might argue (I would agree) that with multiple measures of
>> fluorescence you can determine outliers more rigorously. But I would
>> also say that then the best thing to do then is to not simply remove
>> outliers but
Hi Matthew,
On Wed, 12 Dec 2012, Matthew Marcus wrote:
>
> On 12/12/2012 8:03 PM, Matt Newville wrote:
>> Hi Matthew, Bruce, All,
>>
>> Sorry for not being able to join this discussion earlier. I agree
>> that having glitch-free data is preferred. But I also thi
Hi Matthew, Bruce, All,
Sorry for not being able to join this discussion earlier. I agree
that having glitch-free data is preferred. But I also think it's OK to
simply remove diffraction peaks from XAFS data -- you're just
asserting that you know those values are not good measurements of
mu(E).
Hi Mike,
On Sun, Dec 2, 2012 at 11:54 AM, Michael Morrill
wrote:
> Hello everyone,
>
> I am currently performing a simple curve fit on bulk MoS2 using an atoms file
> for crystalline MoS2. I've found that increasing k_min on my fit (e.g. from 2
> to 4) improves the quality of the fit (R-factor
in C:\strawberry\bin (etc) the Demeter
applications should make sure these are the ones it will find.
--Matt
--
--Matt Newville 630-252-0431
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Hi Dooshaye,
On Mon, Nov 26, 2012 at 5:46 PM, Dooshaye Moonshiram wrote:
> Regarding my first query, basically if you upload an experimental file on
> Artemis and run a Feff calculation page from the exact same XRD coordinates,
> a different fit is sometimes obtained from trial to trial when summ
Hi Jatin, Jason, All,
On Fri, Nov 16, 2012 at 12:49 PM, Jason Gaudet wrote:
> Since R_eff is constant, surely all you need to do is multiply R_eff by the
> uncertainty in alpha? That will be the uncertainty in delta_R and R_fit.
>
> The program is only giving you statistically-derived uncertaint
Hi Yohei, All,
Thanks for the tip! Is anyone able to work on support for Mac
support for Ifeffit + Horae + Demeter codes? I have very little time
to work on this these days. .I've tried to a couple times to get
wxPerl installed on a Mac well enough to run Demeter, but haven't been
able to get
Hi Enyuan,
On Thu, Nov 1, 2012 at 10:29 PM, Enyuan Hu wrote:
> Dear all,
>
> I'm trying to join the mailing list for FEFF users. A search in Google led
> me to the the address listp...@u.washington.edu. But my attempt to join
> always failed as my mail keeps being rejected. I noticed the most rec
John,
On Mon, Oct 1, 2012 at 12:13 AM, John Farell wrote:
>
> Dear friends,
>
> We are doing an experiment of temperature based phase transition. I need to
> get the values of all four GDS
> parameters with errors. I know the theoretical model (i. e., atoms page). But
> to get all the four para
Dear Ku-Ding,
On Sat, Sep 22, 2012 at 8:13 AM, Tsuei, Ku-Ding wrote:
> Hi Bruce,
>
> Thanks a lot for your reply and comments particularly on how to change
> k-weight in (D)Artemis-Atoms. Sorry for not being able to provide clear
> results stating exactly where my confusion came from. I was not s
Weird but good.
On Mon, Sep 17, 2012 at 11:31 AM, Jason Gaudet wrote:
> Thanks Matt, this was helpful in directing my troubleshooting.
>
> Somehow, the problem seemed to resolve itself today without my intervention.
> So I'm again stumped, but I'm stumped with a perfectly functional version of
>
Hi Dan,
On Fri, Sep 7, 2012 at 7:53 AM, Daniel Whittaker
wrote:
> Hi all,
>
> I think that the issue that Bruce is referring to is due to a difference of
> operating system and programs. The data i receive, as Kathy points out, is
> absolutely fine and i have had no issue whatsoever with the beam
Hi Jatin, Scott, Chris,
Just to add to Chris's and Scott's response: analyzing the peak
height of the magnitude of the Fourier transform of an EXAFS spectra
would be collapsing an entire spectra to a single value. We know that
EXAFS is a complicated function of k and R, and such a simplistic
ana
Hi Jason,
On Fri, Aug 31, 2012 at 7:47 AM, Jason Gaudet wrote:
> Hi all,
>
> I came across another Demeter startup issue that seems different from the
> mingw and perl conflicts previously discussed, and I'm pretty stumped.
>
> System: Demeter 0.9.10 on Windows 7 32bit
>
> Issue: All Demeter apps
Hi Bruce,
On Wed, Aug 22, 2012 at 9:45 AM, Bruce Ravel wrote:
>
> Hi Alfred,
>
> I am thrilled that you discovered the problem, because I was stumped!
>
> Actually, you have uncovered a problem I have been worrying about for
> some time. I have been procrastinating on addressing the problem
> be
Hi Matthew,
On Aug 13, 2012 10:53 AM, "Matthew Marcus" wrote:
>
> I'm trying to simulate EXAFS on a nanoparticle of hydrogen-terminated
TiO2, whose atomic coordinates were given to me by a theorist. For that, I
need to average over all Ti atoms, which seems to me is what the CFAVERAGE
card is for
Hi Bradley,
On Aug 13, 2012 8:24 AM, "BradleyW Miller"
wrote:
>
> Hi,
>
> I've looked through the FAQ and help pages but don't see any comments
about my issue. When importing new data into Athena it crashes on my Window
XP computer. The column selection window opens and it freezes. I've
attached
Hi Falk,
On Tue, Aug 7, 2012 at 8:42 AM, Meutzner, Falk wrote:
> Dear IFEFFIT Community,
>
> is there a way to calculate the spectrum for chemically disordered systems?
> We have a simple binary bcc structure. It crystallises either in
> superstructure (CsCl) or chemically disordered (W type) wit
On Sat, Jul 14, 2012 at 4:19 PM, johnny huertas wrote:
> Hi Matt:
>
> Thanks for your response. First of all I am beginner in this issue. Because
> of my little experience I don't know exactly how to specify my problem but I
> think you write an interesting phrase in your response: "are you asking
Hi,
On Fri, Jul 13, 2012 at 5:21 PM, johnny huertas wrote:
> Members of list:
> I have some problems to resolve a question. I have been working a lot in fit
> the AgBr(1-x)Clx example of FEFFIT site. My fits were good in my opinion,
> but I don't know how to identify the Br and Cl atomic distrib
On Fri, Jul 13, 2012 at 7:54 AM, Bruce Ravel wrote:
> On Thursday, July 12, 2012 05:00:00 PM Matt Newville wrote:
>> > I would challenge a reviewer to come up with a reliable study
>> > demonstrating that Feff8 or Feff9 provides a statistically significant
>> >
Hi Ebrahim,
On Thu, 12 Jul 2012, Ebrahim Rezaei wrote:
Hi everyone,
I am working with bulk and
nano-particles manganese oxides. Basically I have collected EXAFS of Mn K-edge
for my reference material (Mn2O3, bixibyite) and also the
catalyst (Mn supported on alumina). The catalyst shows formatio
Hi Bruce,
On Thu, Jul 12, 2012 at 4:04 PM, Bruce Ravel wrote:
>
> On Thursday, July 12, 2012 05:31:19 PM you wrote:
>>
>> I wonder why the new Artemis (from Demeter) is limited to feff6 or feff7 as
>> the old ifeffit can deals with feff8 and feff9.
>>
>> Is it a wish? When you published data usin
Hi Adriana,
On Tue, Jul 3, 2012 at 3:26 AM, Adriana Matamoros Veloza
wrote:
> Hi Bruce,
>
> In both projects the data corresponds to Se edge (no sulphur). Selenium data
> was collected on natural pyrite grains. When Se associates to pyrite, it is
> normally inferred that Se substituted sulphu
Hi Scott,
On Thu, Jun 28, 2012 at 12:45 AM, Scott Calvin
wrote:
> This is great to hear, Matt! While I'm going to be too busy to give it a real
> look in the next few months,
> after that I'll be very interested. Writing it in Python will make it
> possible for me to compile the code
> myself,
Hi Folks,
I wanted to give an update on progress of my Ifeffit 2 project, which
I've been developing under the code name Larch, a name which I think
might stick. This has been a long, slow (and sometimes nearly
stopped) process over several years, but a few events have conspired
so that I've focu
Hi Prof. Guo, Bruce,
On Wed, Jun 27, 2012 at 9:59 AM, Bruce Ravel wrote:
> On Wednesday, June 27, 2012 10:04:22 PM Huaming Guo wrote:
>> > Hello Bravel,
>> >
>> > Attached please find the log reports. These may be the issues leading to
>> > the unsuccessful launching of (D)Athena, (D)Artmis and (
Hi Sunny,
On Tue, May 8, 2012 at 4:19 AM, 최선희(Sun Hee Choi) wrote:
> Dear XAFS colleagues,
>
>
>
> I use Ifeffit 1.2.11 on Windows 7 machine with no difficulty, but that
> version bothers me when applied to Windows XP.
>
> One of useful tips is to select a value from the plot, that is the use of
On May 6, 2012 11:01 PM, "JeongEunSuk" wrote:
>
> Hello
> I measured temperature-dependent EXAFS at Pt L3 edge with Pt
nanoparticles in room and high temperature(400 C). I have some questions
about thermal vibration in EXAFS fit. I read that third and fourth
culmulants related with phase and ampli
Hi Dean,
On Thu, Apr 26, 2012 at 12:39 PM, Dean Hesterberg wrote:
> Hi Matt,
>
> Regarding ifeffit2, another application that would benefit from
> linear combination fitting on thousands or tens of thousands of
> spectra is in micro/nano-XANES (micro/nano-EXAFS) spatial
> imaging. In the case of
Hi Folks,
Several people have asked, so I'd like to announce here that there
will be an XAFS Summer School in Chicago this summer, July 9 - 13, on
the IIT Campus and at APS.
Grant Bunker is organizing, and more details are at
http://xafs.org/Workshops/IIT2012
Cheers,
--Matt
_
Hi,
On Sat, Apr 21, 2012 at 3:47 AM, Stefano Luciano Ciurli
wrote:
> thanks Bruce! I hope to be able to use the OS X version soon! Congratulations!
> Stefano
Yes -- Thanks Bruce! It looks great.
For OS X : I'm not sure if anyone else has tried to get Demeter
working on OS X. It's been a fe
Hi Edmund, Jan, Matthew,
On Thu, Apr 12, 2012 at 8:51 AM, Jan Stötzel
wrote:
> Hi Edmund,
>
> in my opinion evaluating 3000 spectra is neither a heroic attempt nor brute
> force. The LCF of 3000 spectra yields one beautiful plot with 3000 *
> components points, where the information of an enormou
Hi Jatin,
On Thu, Apr 5, 2012 at 5:44 AM, Rana, Jatinkumar Kantilal
wrote:
> Dear Dr. Ravel,
>
> Thank you very much for your prompt reply. I followed the instruction on
> (http://leonardo.phys.washington.edu/feff/wiki/index.php?title=EXAFS_calculation)
> and activated S02 card by making S02 0.
Santago, Carmelo,
2012/4/1 Santiago José Alejandro Figueroa :
> Hi
>
> I can add my two cent...(of REAIS)
>
> The web page of PRESTOPRONTO pointed out by Carmelo is:
>
> http://www.esrf.eu/computing/scientific/PRESTOPRONTO/Prestopronto.htm
>
> or
>
> http://code.google.com/p/prestopronto/
>
> We s
Hi Qingyu,
On Fri, Mar 30, 2012 at 1:32 PM, KONG Quingyu
wrote:
> Thank you for all your helpful suggestions.
>
> Actually, our beamline has recently installed a fast detector with a
> repetation of 20KHz, which could collected data in a time resolution
> of few tens of microsecond and could easi
Hi Qingyu,
On Fri, Mar 30, 2012 at 1:46 AM, KONG Quingyu
wrote:
> We recently collected 3000 EXAFS spectra to follow a chemical reaction
> process, we would like to fit the experimental data with reference spectra
> using linear combination fitting. Does anyone know there are available or
> co
Hi Bradley, Bruce,
On Wed, Mar 21, 2012 at 8:44 AM, Bruce Ravel wrote:
>
> Hi Bradley,
>
> Athena cannot use multiple CPUs. No threads, no message passing.
> Sorry.
>
> As for why Athena uses only 25% of the CPU in your VM is a mystery to
> me. Thatis not a restriction I put on the code and it
en that sets all
the path information anyway, so that using C:\Program Files\ is not
required.
Hope that helps --- let us know how that works out.
And good luck with the course!
--Matt Newville
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Hi Kicaj,
OK, sorry I misunderstood then. And, despite my laziness, I think
that Sameh is right that it's probably time for a more complete
update Such a thing should probably feature Bruce's newer codes of
course.
--Matt
On Sat, Mar 10, 2012 at 10:16 AM, Matt Newville
wrote:
Hi Kicaj,
2012/3/10 "Dr. Dariusz A. Zając" :
> Hi,
> maybe these below clarify a little bit the problem, but the problem sounds
> very intriguing
> http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2004-July/005729.html
> http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2005-October/006613.html
Hi Sameh,
On Sat, Mar 10, 2012 at 8:17 AM, Sameh Ibrahim Ahmed
wrote:
>
> Hi,
>
> I have used ARTEMIS to fit the EXAFS of a simple Cu foil with the two
> diffrent machines, a 32 bit and 64 bit ones, both running widows7, 32 ans 64
> bit respectively.
> The results obtained are slightly different,
Hi Winejar,
On Sat, Mar 10, 2012 at 9:05 AM, winejar8324 wrote:
> Hello, everyone
>
> Here I got the spectra of components in a mixture with linear combination
> fitting.
>
> Can i fit directly the component spectra (i.e. chi(k) of specific species)
> using Artemis to get the structure informati
to why I am wrong about this.
>
> --
> ---
> Ashley Norris
> Experimental Petrology
> Department of Earth Sciences
> Oxford University, UK
> ---
> ashley.nor...@earth.ox.ac.uk
> ---
> +44 1865 272 051
> ---
>
>
> _____
Hi Peggy,
Happy New Year! Sorry to hear about the trouble -- I don't have
Lion, but I'd be surprised if there was anything specific to Lion that
caused the trouble. It sounds like you might have tried these, but
just to be sure (and because they are the things I can think of), here
are some thi
Hi Scott,
On Sat, Jan 7, 2012 at 12:42 PM, Scott Calvin wrote:
> Hi all,
>
> Is there a way to get Athena (or Ifeffit) to report an R-factor for a linear
> combination sum, as opposed to a fit? Artemis does that for FEFF fitting, and
> Athena will do a linear combination sum ("plot data + sum"
Hi Michael,
On Thu, Nov 17, 2011 at 5:17 AM, Michael Stockenhuber
wrote:
> Dear all,
> Thank you very much to the developers for this great software. I have a
> problem with some old SRS station 3.4 data. I cannot read in original data
> with athena. I enclose a data file r48683.dat )( Al K- e
; F-35042 RENNES
> France
> Tel: (+33) 22323 6531
> FAX: (+33) 22323 5959
>
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>
>
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Hi Regina,
Sorry for the trouble. Do I understand correctly that you do see a
plot window and some plots from athena, but that once you do "Plot
Components" from the Linear Combination window that the plot window no
longer listens to what athena might be sending?
I'm usually reluctant to specula
Hi Riti,
On Wed, Oct 12, 2011 at 4:54 PM, Bruce Ravel wrote:
> On Wednesday, October 12, 2011 04:47:28 pm Ritimukta Sarangi wrote:
>> Hi Matt,
>> Thank you. I am looking forward to comments from members from the forum.
>> Yes, I have found some of Corwin's references. Perhaps it might help
>> curr
Hi Riti,
I hope it's OK that I'm sending this to the ifeffit mailing list, as
there might be other interesting perspectives on your questions.
On Tue, Oct 11, 2011 at 3:47 PM, Ritimukta Sarangi wrote:
> Hi Matt,
> This is Riti again. This time I have a question about EXAFS, which you are an
> e
Hi Alex,
You might find the list of beamlines at
http://www.iucr.org/resources/commissions/xafs/, compiled by Federico
Boscherini, a useful way to find a beamline that can acces at the Al
K-edge.
--Matt
On Tue, Oct 11, 2011 at 9:47 AM, Kompch, Alexander
wrote:
> Dear all,
>
> for the analysi
Of course. I do agree with both Jeremy and Bruce.
-Matt
On Oct 10, 2011 10:07 AM, "Bruce Ravel" wrote:
> On Monday, October 10, 2011 10:48:25 am Kropf, Arthur Jeremy wrote:
> > Perhaps there is a more subtle analysis of the data range, but I doubt
> > it, since Matt is on record as suggesting tha
Hi George.
It should be 2*(Delta k)*(Delta R), without the +2, but as a floating point
number. That is, it is deliberately conservative. I believe the subtle
difference you see (that is why the value is 27.06 instead of 27.5) must be
due to rounding of the R values on to a discrete grid.
-Matt
Hi Matthew,
On Sat, Oct 8, 2011 at 4:36 PM, Matthew Marcus wrote:
> Is the core-hole lifetime broadening of pre-edge XANES peaks the same as at
> the main edge? I'm looking into issues of de-noising of XANES epsctra, so
> need to figure out how narrow real features can be.
>mam
I'm sure
Hi Mengling,
2011/9/29 Mengling Yi Stuckman :
> Thanks for all the response! They are all very helpful!
> Just want to make sure that I get the information right and a few follow-up
> questions:
> 1. I'd better contact the beamline engineer to ask for the sensitivity for
> Tl.
Yes!
> 2. Fe fluor
is
> needed to focus on xanes, than I suggest to use non-energy dispersive
> detector, e.g. PIPS diode. It is very often more sensitive than regular
> fluorescence detectors, and can take higher count-rate.
> please correct me if I am wrong...
> kicaj
>
>
> W dniu 11-09-29 17
Dear Mengling,
The basic issues are: will there be enough Tl fluorescence counts in
the detector, and will you be able to see a decent edge.From you
spreadsheet of concentrations, the elements that stand out are: Fe
and to a lesser extent Zn, and Pb.
The Fe and Zn will dominate the fluoresc
Wei,
On Sun, Sep 18, 2011 at 9:10 AM, Wei Li wrote:
> Dear all,
>
> I am wondering about what range should be chosen in Athena? Some
literature
> says from 1 to the end; some says from 0.5 to the end.
What literature says this? Do you mean to imply that someone is saying it
should be 0.5 or 1.0,
Hi Xia,
--Matt Newville 630-252-0431
On Fri, Sep 9, 2011 at 12:23 PM, Xia Bing wrote:
>
> Dear members of the mailing list:
> This year we have applied the synchrotron radiation and get the chance to
> Beijing Synchrotron Radiation Facility at beamline 1W1B-XAFS. It is the
>
Niken,
Have you compared MBACK to using the 'CLnorm' normalization in Athena
(found under "Background Removal Additional Parameters")? The
algorithms are not identical, but have a lot in common, and would
probably make it easier to compare with other data in Athena. If I
understand correctly,
Rajesh,
I suspect you might be trying solve problems you don't have, and not
looking at the problems you do have.
On Tue, Sep 6, 2011 at 1:07 PM, Rajesh Kumar wrote:
> Dear Matt,
> Thanks for your mail. I moved with your advice with PGPLOT a couple of weeks
> back. After that I could install PGP
Hi Alejandro,
On Fri, Sep 2, 2011 at 6:08 PM, Alejandro X Levander
wrote:
> Dear ifeffit community;
> I am working on modeling the local structure of amorphous GaN(1-x)As(x)
> alloys. After helpful learning experiences at the SSRL XAS Summer School and
> reading Scott Calvin's doped material hel
Rajesh,
On Tue, Sep 6, 2011 at 7:52 AM, Rajesh Kumar wrote:
> I recently installed
> 1. PGPLOT 5 (ver: 5.2.2-15) through Synaptic Package Manager from ubuntu -
> MOTU-Developers (Mathematics, Multiverse)
> 2. IFEFFIT from Carlo Segre < se...@debian.org>, (version
> 2:1.2.11d-6~lucid0 ) and
>
Hi Morgan,
Sorry, somehow your legitimate message got lost in the spam box.
> From: Morgan Scott
> To: ifeffit@millenia.cars.aps.anl.gov
> Date: Mon, 5 Sep 2011 12:04:45 +1200
> Subject: settings tab in Artemis
> Hello;
>
> I have changed some settings in my plot display (legend position, gridli
Hi Nina,
As others have said, normalization is critical for getting reasonable
answers from LCF.One of the drawbacks of a linear analysis is that
it always gives an answer, even when the assumptions going into the
question are poor.
> Even though the results of the LCF of the mathematical mix
Hi Matthew, Enyuan,
You're absolutely right that the JT distortion is better described as
moving the ligand atoms. I was too focused on "edit feff.inp to move
the atoms" and on trying to wrap my mind around R -3 m to do the
correct distortion. Enyuan, you'll want to edit the atomic list with
a
Hi Enyuan,
On Mon, Aug 8, 2011 at 7:47 PM, Enyuan Hu wrote:
> Dear all,
> I'm trying to fit the Fe K-edge EXAFS data and I appreciate that Fe in my
> sample mainly exists as Fe4+, which is associated with Jahn-Teller
> distortion. The one shell model that considers Fe residing in the standard
> o
Hi Nirawat,
I think it would be really helpful to see the trapped errors. I can't
promise that I could figure it out, but if you send the project file Bruce
or I might have a chance.
-Matt
On Aug 4, 2011 9:18 AM, "NIRAWAT THAMMAJAK" wrote:
> Dear All,
>
> I was just wondering if some of you may h
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