Hi Lisa,
I'm not very familiar with PbSO4, so I'm not sure if I can help, but your
email immediately brought some questions to mind.
First, did you import the same information into atoms and the crystal
structure program? The way you worded your message made me think that the
crystal structure pr
Hi George,
I've confirmed the behavior you describe on a Mac running OS 10.5.8,
Artemis 0.8.014, Ifeffit 1.2.12, and Athena 0.8.061.
It does seem to be a bug or a corrupted file, but I can't figure out
what it's actually doing. It's not grabbing the wrong data from the
Athena project--non
Something funny is certainly happening as your data are imported from
Athena into Artemis. The two data sets, which are identical in
Athena, become slightly different when processed by Artemis. Odd.
I don't yet understand either what is causing the discrepancy nor why
it manifests as a differnc
Thanks again for everyone's very informative and thorough replies, this
mailing list is great!
Bruce, I hope that I didn't convey that reduced chi-square (RCS) wasn't
useful. I am constantly using it when figuring out how to appropriately
model my data. My comment stemmed from what you said abou
Also, for anyone who just wants to see the difference in the two data sets
I've attached a figure.
George
On Thu, May 12, 2011 at 1:23 PM, George Sterbinsky <
georgesterbin...@u.northwestern.edu> wrote:
> Hello,
>
> I've noticed an odd behavior in Athena and Artemis and I was hoping someone
> co
Hi Brandon,
Matt and Bruce both gave good, thorough answers to your questions this
morning. Nevertheless, I'm going to chime in too, because there are
some aspects of this issue I'd like to put emphasis on.
On May 11, 2011, at 8:46 PM, Brandon Reese wrote:
I tried your suggestion with eps
On Thursday, May 12, 2011 10:11:20 am Matt Newville wrote:
> Linear combinations fits are more challenging for EXAFS
> than for XANES, as EXAFS are complicated by disorder terms that do not
> strongly effect XANES, and this disorder is a "component" of the data.
> Unless you understand the set of
Brandon,
Scott's answer assumed that epsilon was, in fact, the source of
difference between the ratio of R and reduced chi-square, while
Shelly's answer assumed that the k-ranges of the window functions was
dramatically different. Either (or both) of these could be part of
the explanation. I
Just to re-iterate and put more bluntly some of what Bruce has said:
Doing Linear combination fits of EXAFS chi(k) *requires* that the
1. mu(E)->chi(k) transformation uses the same absolute value for
E0 for all spectra.
2. the mu(E) data are on the same energy scale to begin with (or
po
On Wednesday, May 11, 2011 11:45:43 pm Brandon Reese wrote:
> Does this mean that reporting reduced chi-square values in a paper
> that compared several data sets would not be necessary and/or
> appropriate?
Heavens! No!
That we don't have a reliable way of estimating epsilon says that we
cannot
On Thursday, May 12, 2011 03:09:12 am Dilnesa, Belay wrote:
> Dear Dr. Ravel,
> Thanks so much,for information you gave me. I subscribed already in the
> mailing list. I have a complex system to fit. I have a complex spectra
> from a hetrogenous sample and a number of reference samples. I am doing
Dear Dr. Kelly,
this was not my question in the first place, but I am still super
interested in your book/book chapter on LC fitting. Would you send me a
pdf-copy as well?
Thanks so much, I am learning a lot through the ifeffit mailing list!
Cheers
Christoph
> Hi Saugata
>
> With appropriate st
Dear Dr. Ravel,
Thanks so much,for information you gave me. I subscribed already in the mailing
list. I have a complex system to fit. I have a complex spectra from a
hetrogenous sample and a number of reference samples. I am doing EXAFS LCF. To
choose from the combinations after fitting is diffc
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