I have just started a PhD and have been given alot of EXAFS data to simulate but I don't know much about artemis. I have tried to fit the data for quite some time now, but can't get any kind of good fit unless the amplitude is above 1. Is there any way amp can be above 1 and rationally explained? Cheers, Paul
How far above 1? And with what uncertainty? --Scott Calvin Sarah Lawrence College At 07:52 PM 2/26/2006, you wrote:
I have just started a PhD and have been given alot of EXAFS data to simulate but I don't know much about artemis. I have tried to fit the data for quite some time now, but can't get any kind of good fit unless the amplitude is above 1. Is there any way amp can be above 1 and rationally explained?
Uncertainty can get fairly close to 0 (+/- 0.1) but amp gets up anywhere
from 2 to 4 depending on what data set I'm fitting to.
----- Original Message -----
From: "Scott Calvin"
How far above 1? And with what uncertainty?
--Scott Calvin Sarah Lawrence College
At 07:52 PM 2/26/2006, you wrote:
I have just started a PhD and have been given alot of EXAFS data to simulate but I don't know much about artemis. I have tried to fit the data for quite some time now, but can't get any kind of good fit unless the amplitude is above 1. Is there any way amp can be above 1 and rationally explained?
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Hi Paul, The most likely possibilities are: 1) The normalization (in Athena or whatever) is way off. Make sure you check it by eye and see that the pre-edge or post-edge line isn't crazy for some reason. 2) The model isn't right...your samples are not what you think they are. So no, I don't think you have a legitimate fit at this point. --Scott Calvin Sarah Lawrence College At 08:11 PM 2/26/2006, you wrote:
Uncertainty can get fairly close to 0 (+/- 0.1) but amp gets up anywhere from 2 to 4 depending on what data set I'm fitting to.
Pre and post edges are fine, and the model I'm using is made from the
crystallographic data collected. I wouldn't have thought getting a decent
fit with good data is difficult with the crystal structure as the model.
But I'm assuming there is not any kind of reason amp can be above 1. Problem
is, if I restrain it to be between 0 and 1 it sits at 1 with an error of +/-
40.
----- Original Message -----
From: "Scott Calvin"
Hi Paul,
The most likely possibilities are:
1) The normalization (in Athena or whatever) is way off. Make sure you check it by eye and see that the pre-edge or post-edge line isn't crazy for some reason.
2) The model isn't right...your samples are not what you think they are.
So no, I don't think you have a legitimate fit at this point.
--Scott Calvin Sarah Lawrence College
At 08:11 PM 2/26/2006, you wrote:
Uncertainty can get fairly close to 0 (+/- 0.1) but amp gets up anywhere from 2 to 4 depending on what data set I'm fitting to.
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Dear Paul: If you could give us more detail about the model, it might help us interpret the amp>1 question. What is needed is the following what is the data of? what is the structural model you are using? an Artemis project file could also help. Cheers, Carlo On Mon, 27 Feb 2006, Paul wrote:
Uncertainty can get fairly close to 0 (+/- 0.1) but amp gets up anywhere from 2 to 4 depending on what data set I'm fitting to.
----- Original Message ----- From: "Scott Calvin"
To: "XAFS Analysis using Ifeffit" Cc: Sent: Monday, February 27, 2006 10:56 AM Subject: Re: [Ifeffit] Amplitude in Artemis How far above 1? And with what uncertainty?
--Scott Calvin Sarah Lawrence College
At 07:52 PM 2/26/2006, you wrote:
I have just started a PhD and have been given alot of EXAFS data to simulate but I don't know much about artemis. I have tried to fit the data for quite some time now, but can't get any kind of good fit unless the amplitude is above 1. Is there any way amp can be above 1 and rationally explained?
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
_______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre
participants (3)
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Carlo Segre
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Paul
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Scott Calvin