, was a high school student!
That's my two cents, anyway. :)
--Scott Calvin
Sarah Lawrence College
In short, the referee's argument is of course strong one, but a good
planning of undergraduate research can help make use of undergrads.
Since these are EXAFS papers, you can definitely use them
/Ch...') called at /PerlApp/Chemistry/Elemenmts.pm line 527
Chemistry:Elements::_is_Z(undef) called at
/PerlApp/Chemistry/Elements.pm line 355
Again, only headers are read in.
Changing the LF generated by the Mac to a CRLF in all the text files
in the folder solves the problem.
--Scott Calvin
(with
coordination numbers constrained)! That will be
very helpful in diagnosing what is going on, and,
for certain cases, might even solve the problem.
Which brings up the first important question to
ask...what is the uncertainty on the S02 of 0.53?
--Scott Calvin
Sarah Lawrence College
At 02:03
fewer free parameters. A search
of the literature will reveal several articles by
each of us detailing how to do this kind of
analysis, including the APL I mentioned earlier
on platinum nanoparticles and a JACS article of
Anatoly's on platinum-ruthenium nanoparticles.
--Scott Calvin
Sarah
assuming that CN's are what you're after. If
finding out whether it's Alumina or Yttria is what you're after, the
quality of fit and CN are not distinguishing between the two
possibilities. That leaves bond distance as the best EXAFS indicator
of which phase is present.
--Scott Calvin
Sarah
is used at any given time...
--Scott Calvin
Sarah Lawrence College
At 04:42 PM 12/21/2006, you wrote:
Hi all,
Thank you very much Scott for your not slow
answer and sorry for my very slow one.
I think my system is a little bit complicated. I
have bimetallic catalysts (PtSn)
and I did fits
with 0.01, if, for example, the 0.03
reproduces qualitatively all the features in the data but has small
errors in the amplitude of the peaks, while the 0.01 fits the first
part of the spectrum perfectly but misses some peak altogether.
Hope that helps...
--Scott Calvin
Sarah Lawrence College
dr, and then can't do the fit! :(
--Scott Calvin
Sarah Lawrence College
At 01:24 AM 1/9/2007, Craig Klauber wrote:
Dear Scott,
Sorry to bug you on what may be a very trivial issue - but if
its a quick fix a bit of guidance would be very much appreciated.
I've been working through
a rough (but spurious) alignment between model and data.
In any case, the model needs work; depending on your system and
degree of prior knowledge, you might be assuming the wrong species of
scattering atom, for example.
--Scott Calvin
Sarah Lawrence College
At 10:41 AM 1/9/2007, Todd Luxton
Hi Craig,
The correct version of the example has now been uploaded to the Ifeffit Wiki:
http://cars9.uchicago.edu/iffwiki/HoraeSoftware
--Scott Calvin
Sarah Lawrence College
At 11:09 AM 1/9/2007, Scott Calvin wrote:
Hi Craig,
I'm cc'ing this to the Ifeffit mailing list, as others may
cases, it may
require a different E0's, in others, not. Of course, you can try it
both ways, and see what the fits think.
--Scott Calvin
Sarah Lawrence College
At 05:04 AM 2/14/2007, you wrote:
Hi,
first I would like to thank all experienced people answering in
this forum!! I have learned really
the chi(k) data with each other, when they oscillate at a
different frequency?
--Scott Calvin
Sarah Lawrence College
At 10:38 AM 2/14/2007, you wrote:
The approach that I like to take, is to vary the choice of E0 in the
background subtraction step so that the chi(k) spectra are well aligned
of parameters to fit must also
be physically justifiable. If you can justify each path having a
different coordination number than in your model, you can try
different S02's; otherwise, your fit is unconvincing.
--Scott Calvin
Sarah Lawrence College
At 02:31 AM 2/15/2007, you wrote:
Dear Bruce
We have
and 300 K. And that lets you decouple E0 from lattice
expansion and the third cumulant, which was your goal.
--Scott Calvin
Sarah Lawrence College
At 10:06 PM 2/25/2007, Anatoly wrote:
Leandro - depending on the details of your system and treatment,
electronic structure of the nanoparticle may
to 5.48 and
proceed. Using the first procedure in a final, published fit is
defensible, the second one is not.
Hope that helps.
--Scott Calvin
Sarah Lawrence College
At 01:48 PM 2/27/2007, you wrote:
I took your suggestion and have the amp and e0 the same for each path. In
addition, I fixed
, not Athena. But I may have misunderstood your question.
--Scott Calvin
Sarah Lawrence College
At 04:53 PM 3/20/2007, you wrote:
Hello all.
Is it possible to view the individual Fourier components of a Fourier
transformed EXAFS spectrum in Athena? If so, can someone please direct
me toward
be off-putting
to newcomers.
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Aha! I see how that works now. Thanks; I'll fix the ZnO tutorial and
post the new version to the wiki.
--Scott Calvin
Sarah Lawrence College
At 10:08 AM 3/21/2007, you wrote:
Scott,
I just looked at the most recent update and its artemis.config file
is correct. However, the way
...in
fact, that means that I measure the standard with a reference in
place, if that makes sense. :)
So I use a reference for Anatoly's purpose (1) and a standard for
Anatoly's purposes (2) and (3).
I hope that's helpful.
--Scott Calvin
Sarah Lawrence College
At 03:28 PM 3/22/2007, you wrote:
Hi
).
This article has a design I used, and also references to some other
designs. If you don't have access to that journal, let me know, and
I'll send you a copy of the article.
--Scott Calvin
Sarah Lawrence College
At 05:49 AM 3/25/2007, you wrote:
Dear Colleagues,
I need to perform XAFS measurements
questions are you've got a good
chance of getting help using Bruce's and Matt's software.
--Scott Calvin
Sarah Lawrence College
At 02:15 PM 3/28/2007, you wrote:
Content-class: urn:content-classes:message
Content-Type: multipart/alternative;
boundary=_=_NextPart_001_01C77165.0DE07268
Hi
. But since moving a
path by more than about 0.1 Angstrom in Ifeffit starts to reduce the
accuracy of the FEFF calculation, it's something you do want to try
to prevent. One way to do that is with restraints; it shouldn't take
much incentive for Ifeffit to refrain from switching the paths.
--Scott
files to have the pc end-of-line termination. :)
Does anyone out there have a simple way to btach convert a whole
bunch of files from Mac CR line breaks to pc CR/LF line breaks? I'm
not part of the linux or unix worlds, but can use either Windows XP
or OS X methods.
--Scott Calvin
Sarah Lawrence
to try is obvious: obtain a
respectable Fortran compiler and make a new executable. That's my
task for tomorrow.
--Scott Calvin
Sarah Lawrence College
At 11:08 AM 5/26/2007, you wrote:
Scott, are you using one of the older Classic versions of feff8, I am
surprised that anything compiled with gcc
off
the feff calculation, though, and removing the lines in the feff.inp
file makes sense.
--Scott Calvin
Sarah Lawrewnce College
At 05:01 AM 6/7/2007, Joji Kuniya wrote:
Dear members
I have been treating with an EXAFS spectra of an oxide
crystals. This crystal has some holes (defects
Thanks, Itzok. I'll check it out.
--Scott Calvin
Sarah Lawrence College
At 05:27 AM 6/25/2007, you wrote:
Dear Scott,
I would just like to mention a similar study of Fe XANES
analysis for a particular case of iron gall inks, where linear combination
method (implemented in athena) was used
in the Fe-Fe coordination and distance.
--Scott Calvin
Sarah Lawrence College
P.S. The mailing list's spam filter has decided that when I send
messages from home I am actually engaged in something shady and is
blocking me. This is the last day I know I'll be at SLC for a while,
so I'm likely
Hi Kefan,
I have forwarded your message to the Ifeffit mailing list. If you are
not yet a member of that list, you can join at:
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
--Scott Calvin
Sarah Lawrence College
Begin forwarded message:
From: [EMAIL PROTECTED]
Date: December
Hi Carlo,
I think this is a great idea!
--Scott Calvin
Sarah Lawrence College
At 02:23 PM 4/17/2008, you wrote:
I have been looking
into establishing a topical meeting (with the focus changing from year to
year) in the United States in years that IXS is not being held
I also have anatase, although I haven't looked at it yet, so I can't
vouch for it. If Benjamin knows his is good, go that route, but if
you'd like a confirming spectrum, let me know.
--Scott Calvin
Sarah Lawrence College
On Jun 10, 2008, at 10:31 AM, Carlo Segre wrote:
Hi All:
I am
Hi Matt,
You used to have an ifeffit dll available for Windows that had a
maximum of 1024 paths. Is that still the case?
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http
compounds is confusing? (i.e.
it kind of looks at first like the slide claims that the mean-free
path comes from a reference compound)
--Scott Calvin
Sarah Lawrence College
On Jul 16, 2008, at 12:04 PM, [EMAIL PROTECTED] wrote:
Hi,
i have a print out of a talk (about XANES, XAFS and multiple
Whoops--it helps if I actually read the formula that the person
actually wrote.
--Scott Calvin
Sarah Lawrence College
On Jul 16, 2008, at 3:40 PM, Bruce Ravel wrote:
On Wednesday 16 July 2008 15:27:27 Scott Calvin wrote:
Bruce--I'm not following your critique of the third panel. Where's
).
Since I'm at home today, I don't know if this is a Mac only problem or
if it also occurs on other platforms.
I've attached a simple file that demonstrates this behavior. Go to
linear combination fitting with the first group highlighted, and click
fit this group to get the crash.
--Scott
is that either the pre-edge or post-edge
lines are being poorly chosen. Click on those options under the
plotting to see what those lines look like. If necessary change the
pre-edge or normalization ranges to get them straightened out.
--Scott Calvin
Sarah Lawrence College
On Aug 25, 2008, at 11:23
, this
is just cosmetic; it shouldn't affect the feff path itself.
--Scott Calvin
Sarah Lawrence College
On Aug 29, 2008, at 9:32 AM, Bruce Ravel wrote:
On Thursday 28 August 2008 18:42:12 Ying Zou wrote:
While I am calculating FEFF path through Feff8.40 using the
feff8.inp as
attached, I notice
that are numbered the same.
--Scott Calvin
Sarah Lawrence College
On Aug 29, 2008, at 1:54 PM, Ying Zou wrote:
Dear all,
Nice to get so prompt response from Bruce and Scott, thanks for
their effort to make this list vital!
Looks like amp is a factor which can be reduced
of the substances in the sample, but suspect what
some of the other contributors are.
--Scott Calvin
Sarah Lawrence College
On Oct 26, 2008, at 1:16 PM, Frenkel, Anatoly wrote:
PCA works only if there are series of spectra with change in the
makeup of S species, not for a single spectrum
to factors other than relative
composition would tend to show up as a third significant component in
pca.)
--Scott Calvin
Sarah Lawrence College
On Oct 29, 2008, at 10:02 AM, Jens Kruse wrote:
Hi everyone,
I have a general question:
I know Normalizing is something we do so that we can
.
Hopefully that helps.
--Scott Calvin
Sarah Lawrence College
On Oct 29, 2008, at 2:31 PM, Jens Kruse wrote:
Thanks for your replay and sorry for the confusing question. but I
think it not getting better.
Scott, you are right LCF would be helpful but even with lot of
standards it is hard
and +3, that FEFF would probably
assign a bigger charge transfer to the +3 in most cases.
--Scott Calvin
Sarah Lawrence College
On Jan 2, 2009, at 6:30 AM, Bruce Ravel wrote:
On Friday 02 January 2009 09:15:05 am Bruce Ravel wrote:
what does charge transfer mean in FEFF?
I cant understand
Hi Gleb,
As a workaround, can you check the fix step box and adjust the edge
step by hand that way?
--Scott Calvin
Sarah Lawrence College
On Jan 4, 2009, at 2:00 AM, Gleb Pokrovski wrote:
Dear Bruce,
Since the 2 or 3 latest athena versions, I have noticed a somewhat
strange behavior
. Once in a
while, though, the penalty function will keep you out of a false
minimum and put you in the right one.
--Scott Calvin
Sarah Lawrence College
On Jan 9, 2009, at 12:34 PM, Hashem Stietiya wrote:
Dear All,
I am currently using ARTEMIS to fit Zn-O, Zn-Zn paths to first and
second
I think you have to give us more information to be able to help you.
Fitting using Artemis is a skill, and takes practice, thought, and
persistence. What system are you working with? How do you know the
bond length is wrong? How are you attempting to do the fit?
--Scott Calvin
Sarah
Hi Kleper,
It looks a little to me like you don't actually have any paths
included in the fit, or perhaps the path is defective (all zeroed out,
or something like that). If you attach the project file, it will
probably be easy to tell.
--Scott
On Jan 13, 2009, at 5:13 PM, Kleper Oliveira
.)
--Scott Calvin
Sarah Lawrence College
On Jan 13, 2009, at 5:43 PM, Kleper Oliveira Rocha wrote:
But Scott, this data was that I treat in Athena to begin the
treatment in Arthemis. I don´t have the Artemis project.
2009/1/13 Scott Calvin scal...@slc.edu
That's an Athena project, Kleper. I
that leaves
the model. Perhaps you don't have platinum metal. After all, the files
are named PtAl--if there are a lot of Pt-Al near neighbors, and you're
not accounting for them, that could explain why the fit fails.
--Scott Calvin
Sarah Lawrence College
On Jan 13, 2009, at 6:32 PM, Kleper Oliveira
Hi Hashem,
I doubt they're artifacts. Much more likely is that they are either
due to multiple-scattering paths, or to sidebands of the single-
scatterers.
During analysis, you don't want to think of the Fourier transform as
being literally a radial distribution function; i.e., features in
. The presence of other energies will
act to reduce S02 to some extent, but the extent will vary from beam
line to beam line, and often from run to run.
--Scott Calvin
Sarah Lawrence College
On Jan 18, 2009, at 12:31 AM, JeongEunSuk wrote:
Hello everyone
I am using FEFF8.0 for the analysis of EXAFS
to the other). In that
case, I'd think fitting a fourth cumulant but not a third would be
justified.
The bottom line is that you should have a good physical reason, having
to do with symmetries, for using the fourth without the third.
--Scott Calvin
Sarah Lawrence College
On Jan 21, 2009, at 9
the interstitial atoms, and the
distribution of the interstitial atoms is symmetric between two
lattice atoms in crystallographically identical sites. In that case,
the third cumulant may be considered negligible, while the fourth
cumulant might not be.
--Scott Calvin
Sarah Lawrence Collehe
that is intrinsically anharmonic (e.g. all
coordinated atoms at the same average distance, but the thermal
variation about that average distance is not symmetric), then I also
use cumulants.
I hope that was helpful.
--Scott Calvin
Sarah Lawrence College
On Jan 21, 2009, at 1:27 PM, Matt Newville wrote
the potentials are close enough to
harmonic that the fourth cumulant makes little difference, or they are
so far from harmonic that the fourth cumulant alone is not enough.
--Scott Calvin
Sarah Lawrence College
On Jan 21, 2009, at 10:11 PM, Frenkel, Anatoly wrote:
Thus, I am pretty much
them but can't figure out how to do it? Or
that you're wondering how to set them?
--Scott Calvin
Sarah Lawrence College
On Feb 2, 2009, at 3:32 AM, abhijeet gaur wrote:
Hi everyone,
I am giving artemis the following parameters:
guess amp 1
def delr alpha*reff
guess
Hi Kathy,
I just got a late volunteer for beta testing, whom I think will be a
good addition:
Ryan Hinrichs, professor of Chemistry at Drew University. Knows a
little bit about XAFS, partially from collaboration with me, but has
never used it himself. E-mail: hinr...@drew.edu (Yes, his
that? (I'm asking about the EXAFS region; say, more than two inverse
angstroms above the edge.)
I eagerly await your collective wisdom, knowledge, and humorous
anecdotes.
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit
paths, it can help increase your confidence that the low S02
in your fit is appropriate.
--Scott Calvin
Sarah Lawrence College
On Mar 27, 2009, at 9:19 AM, Zuzaan, Damdinsuren wrote:
Hello everyone,
I am graduate student and doing EXAFS in my research.
My question is about S02. From the XAFS
,
then I might start with rmax at 1.9 angstroms. That sounds strange,
because it sounds like I'm not even including the nearest neighbor,
but it too will be shifted down and have width, so I actually am
including most of it.
--Scott Calvin
Sarah Lawrence College
is
doing what it can, the fractions may not be particularly physically
meaningful. One piece of evidence that this is going on is if the
chi(k) fit is poor, that is, if the fitted chi(k) does not
correspond well to the data.
--Scott Calvin
Sarah Lawrence College
On Apr 6, 2009, at 5:31 PM, Guvenc
Hi Abhijeet,
There is no reason to fit the S02 separately for all shells. You
should use the same S02 parameter for all shells.
Ifeffit's job is to adjust the squiggly curve that comes out of the
model until it looks like the squiggly curve that comes from the data.
That's it. It doesn't
to the degrees of freedom?
I suspect there's some very practical reason why people use this
stepwise approach, but I'm not yet seeing it...
--Scott Calvin
Sarah Lawrence College
On Apr 10, 2009, at 11:24 AM, Kropf, Arthur Jeremy wrote:
Abhijeet,
I'll add to Scott's comments. I typically perform
into their head in
a system for which it was appropriate.
As we both know, fitting can be a complicated and somewhat subjective
process. Both for my own skills and for my ability to teach others the
technique, I would like to understand more about why people use the
approaches they do.
--Scott Calvin
, and Matt initially assumed the first; that was
responsible for some of the confusion.
--Scott Calvin
Sarah Lawrence College
On Apr 18, 2009, at 1:57 PM, Matt Newville wrote:
Hi Adam,
I am confused by this thread too!
I find the approach of fit the first shell, then fix those parameters
. If not, then
the material is not what you think it is.
--Scott Calvin
Sarah Lawrence College
On Jun 19, 2009, at 7:30 AM, Zajac, Dariusz A. wrote:
Hi Calvin,
thanks for the email. I have tried to find something on mailing list
about E0 but it seems that my searching words were not correct. I
found only few
often look at/write responses to these emails when I'm not connected
to the web and thus can't follow a link.
Is that an OK rule of thumb with the rest of you? Under 2 Mb = OK to
attach; over 2 Mb use a link? Or would people prefer a lower threshold?
--Scott Calvin
Sarah Lawrence College
to be hard to find 1 mil Kapton
tape with adhesive, but now it's easy. Hephaestus will give you the
absorption of Kapton, so you can judge how big an effect it will be at
the energies at which you'll work.
--Scott Calvin
Sarah Lawrence College
On Aug 4, 2009, at 2:39 PM, Monson, Todd wrote
Hi Todd,
Kapton is resistant to most solvents, but that's not necessarily true
for the adhesive on it! I've had the adhesive completely washed away
by samples with a little solvent on them before. So you should test
that before preparing your samples.
--Scott Calvin
Sarah Lawrence College
that are of interest to you,
then that is indicative of a problem in the fit and should not be
swept under the rug.
--Scott Calvin
Sarah Lawrence College
On Aug 18, 2009, at 4:02 PM, Eugenio Otal wrote:
Hi all,
I see that the reports of the fits a perform in arthemis have Chi
really big
approaches that can be used to try to reduce the
uncertainties, but you shouldn't even think about that until you get
the amp (S02) straightened out.
--Scott Calvin
Sarah Lawrence College
On Aug 18, 2009, at 6:18 PM, Eugenio Otal wrote:
Hi Scott,
here I copy a part of the report:
Independent
Report the error bars as given; otherwise you're reintroducing the
unknown measurement uncertainty factor. Then somewhere in your paper
cite ifeffit and make clear that you used that method to determine
uncertainties.
--Scott Calvin
Sarah Lawrence College
On Aug 18, 2009, at 7:31 PM
those for the standard,
taking into account the error bars (i.e. the values for the standard
do not fall within the error bars for the sample for at least one
parameter)
--are stable with changes in k-weight.
--Scott Calvin
Sarah Lawrence College
On Aug 21, 2009, at 11:35 AM, Eugenio Otal
methods, and philosophy of education, please see our Web site at: http://www.slc.edu
.
SLC is an Equal Opportunity Employer committed to achieving a
racially and culturally diverse community.
--Scott Calvin
Sarah Lawrence College___
Ifeffit mailing
system.
--Scott Calvin
Sarah Lawrence College
On Oct 9, 2009, at 11:47 AM, Bruce Ravel wrote:
Abhijeet,
I took a quick peak at your project and I find it very confusing. In
the most recent fit, you are fitting only from 3.5 to 4.4 -- the area
under the *third* peak in the data. I don't
myself again as to what exactly it is doing), so someone
else should explain how that can be used to help address your question.
--Scott Calvin
Sarah Lawrence College
On Oct 23, 2009, at 3:51 PM, Chris Patridge wrote:
Hello everyone,
In removing background, most literature suggests Rbkg value
Hi Peter,
I think I have one of SrCO3, but it will take me a couple days to dig
it up.
--Scott Calvin
Sarah Lawrence College
On Oct 26, 2009, at 7:10 PM, Peter Nico wrote:
Hello All,
Would anyone out there have a SrSO4 or SrCO3 standard XANES spectra
they would be willing to share
of the merged data
from the sample.
If 2) is a significant problem and 1) is not, then it makes sense to
merge the references along with the sample data, because that will
make it easier to determine the chemical shift.
If both problems are significant, then you've got a headache.
--Scott Calvin
scans merged as well as the sample scans, in order to get a clean
measure of chemical shift.
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
accurate chemical shifts, as loss of energy calibration, harmonics,
and noise should all become evident by this procedure.
I'm not recommending this procedure over others; it's just what I do
in some cases. But it doesn't seem like an unreasonable procedure to me.
--Scott Calvin
Sarah
distribution function
in a real fcc metal. To the degree it's a question about analysis,
it's about XRD:
In an fcc metal should the expectation value of the nearest-neighbor
separation, multiplied by the square root of two, equal the lattice
spacing as determined by XRD?
--Scott Calvin
Sarah
settled in last week.
--Scott Calvin
Sarah Lawrence College
On Dec 30, 2009, at 8:47 AM, Matt Newville wrote:
Hi Scott,
I believe we had a conversation about this last January.
XAFS is not sensitive to the crystallographic lattice constants. It
measures the spacing between atoms. Because
standard is a theoretically simulated spectrum of some
structure. Thus, the theoretical standard is not the crystallographic
data itself, although that data can serve as a basis for generating a
theoretical standard using software such as FEFF.
--Scott Calvin
Sarah Lawrence College
On Jan 4
a blank
for 3rd, which is the third cumulant in the literature. It is then
used like any other path parameter. (Or, of course, you can access it
through IFEFFIT scripts, again using 3rd.)
--Scott Calvin
Sarah Lawrence College
On Mar 26, 2010, at 1:13 PM, Aaron Slowey wrote:
Dear XAFS community
of parameters, the stability of the fit to small changes
in the data ranges, etc..
--Scott Calvin
Sarah Lawrence College
On Mar 26, 2010, at 4:09 PM, grant bunker wrote:
Aaron -
There are a couple of things you should watch out for when fitting
cumulants.
First, you should make sure
, and
the first scattering shell is thus fully populated no matter how small
the particles are.
--Scott Calvin
Sarah Lawrence College
On Mar 8, 2010, at 1:45 PM, bill.schwa...@yale.edu wrote:
Hi Scott,
We met a couple of times at the EXAFS last two EXAFS workshops at
BNL, for relative
different k-weights, or, better yet, several k-weights simultaneously?
At any rate, I'd say your fit is a promising preliminary fit. As far
as a publication-quality fit, it would be nice to get the nearest-
neighbor ss pinned down a bit better.
--Scott Calvin
Sarah Lawrence College
On Jun 28
constraints that
aren't physically unreasonable, and seeing how the fit responds to them.
--Scott Calvin
Sarah Lawrence College
On Jul 10, 2010, at 11:03 AM, Christopher Allen wrote:
Hi,
I wanted to get some advice on a vanadium centered material I’ve
been trying to fit for quite a while w
simple constrains (not only E0's and S02's the same,
but also sigma2's), and see if you're on the right track. Then look at
the effect of relaxing constraints.
--Scott Calvin
Sarah Lawrence College
On Jul 28, 2010, at 4:00 AM, Jatinkumar Rana wrote:
Dear Users,
Since long, i was trying
mine, warning you by their
deviation from known values as to the magnitude of the errors you're
looking at.
--Scott Calvin
Sarah Lawrence College
On Jul 31, 2010, at 11:56 AM, Gavin Garside wrote:
Scott,
Thank you for a quick response. The value I am getting for SO2 in
the fit most
for linearity with tricks
like putting sheets of aluminum foil before I0 can help detect some
(but not all) of those kinds of issues.
--Scott Calvin
Sarah Lawrence College
On Aug 2, 2010, at 4:03 AM, Peter Zalden wrote:
Dear Feff users,
lately, we measured a sample containing Sb and Te
be 11.0 or 11.6 mm, in part
because of the ability to eyeball it, and in part because of problems
with lining up marks using rulers. But unlike with Gaussian
statistics, where two- or three-sigma events happen now and then, I'd
often be off by 0.2 mm yet never off by 0.6 mm.
--Scott Calvin
different values of delE0 if the data sets are hard to align properly.
--Scott Calvin
Sarah Lawrence College
On Aug 12, 2010, at 8:44 PM, María Elena Montero Cabrera wrote:
Hi all!
I have performed two independent XAFS measurements of Cr K-edge of
the same Fe-Cr sample at two different
Hi all,
For a little comic relief, I just came across this graph:
http://www.usablemarkets.com/wp-content/uploads/2010/06/fed-rate-3.jpg
I have never seen a graph unrelated to XAFS looks more like (noisy)
XAFS data...
--Scott Calvin
Sarah Lawrence College
Hi all,
Do any of you have a version of Ifeffit compiled for Mac OS 10.5 that
allows more than 256 paths?
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman
not be particularly sensitive to the details of their path parameters.
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Thanks, Matt!
--Scott Calvin
Sarah Lawrence College
On Oct 6, 2010, at 9:08 AM, Matt Newville wrote:
Hi Scott,
The attached zip file has dynamic libraries (and static program
ifeffit) built with 1024 paths and feff files. It contains the files
lib/libifeffit.dylib
lib/libifeffit.so
bin
?
Yes--you explained it far better than I did. :)
--Scott Calvin
Sarah Lawrence College
___
Ifeffit mailing list
Ifeffit@millenia.cars.aps.anl.gov
http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
in
temperature, doping, etc., and it may not work as well. But even in
those cases, if you've decided how to constrain the delr for single-
scattering paths, you'll do reasonably well by using some kind of
appropriate average of the delr's for related single-scattering paths.
--Scott Calvin
Sarah
that the
issue is actually one of amplitude, as in your case.
At any rate, I'm glad you solved your issue in such a satisfying way!
--Scott Calvin
Sarah Lawrence College
On Oct 7, 2010, at 11:22 AM, Han Sen Soo wrote:
Hello Shelly and Scott,
Thank you both again for your suggestions. It seems
to believe there are actual shifts between
scans, and I would NOT align them prior to merging.
Finally, beamline scientists usually have a very good idea whether
their line is prone to drifts. Ask them!
--Scott Calvin
Sarah Lawrence College
between the two sets of data, and aligning one to the
other would remove that!
--Scott Calvin
Sarah Lawrence College
On Oct 14, 2010, at 11:00 AM, ornella smila castro wrote:
Hi Matt and Scott,
First, thank you so much for replying to my questions.
I realised that I should have been a bit more
1 - 100 of 218 matches
Mail list logo
