Hi, We recently collected laser pump-probe XAS data out to k=9. The process to get the excited state is to take the laser off minus the laser on data. I'm a little unsure in terms of trying to fit the difference EXAFS and is it possible via Athena? So far I model the EXAFS of the excited state and take away from the ground state model and compare visually. The only way I can think is to work out the % conversion and add that % of laser off back to the difference data in order to get the real EXAFS of the excited state, which can be fitted through Athena. But this is really difficult and probably inaccurate? Thanks for any help or suggestions, Stu
On 05/30/2016 01:25 PM, sb2c08@gmail.com wrote:
We recently collected laser pump-probe XAS data out to k=9. The process to get the excited state is to take the laser off minus the laser on data. I'm a little unsure in terms of trying to fit the difference EXAFS and is it possible via Athena? So far I model the EXAFS of the excited state and take away from the ground state model and compare visually. The only way I can think is to work out the % conversion and add that % of laser off back to the difference data in order to get the real EXAFS of the excited state, which can be fitted through Athena. But this is really difficult and probably inaccurate?
Of course it's not possible to fit and EXAFS spectrum in Athena. Artemis is the program for fitting the EXAFS. I am unclear on what you have tried so far, so I am a little unsure what kind of answer you are looking for. Artemis was not really written with your sort of experiment in mind. That said, if your problem is fit some theory from Feff to a measured spectrum with some fitting model -- that is what Artemis is for. As with any difficult problem, you need to understand your data and your model and you need to understand Artemis well enough to implement the fit. But there is no magical, hidden button that says "fit my pump-probe data." B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 535A Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/
Hi to everyone,
I'm beamline scientist at DUBBLE at ESRF and I was using currently atoms on the web.
I don't want to disturb to much, but I was wondering why now this beatifull tool does't
work anymore. It works only to create the atoms.inp, but it was nice to have the
feff.inp ready from the web application. The main motivation is somtimes the ifeffit
tool is not installed.
Sorry If i took your time and thank you for your answer.
best
Alessandro
--
Ph.D Alessandro Longo
researcher of National Council Research
ISMN-CNR
e-mail: alessandro.longo@cnr.it
phone: 00390916809359
fax : 00390916809399
Open WebMail Project (http://openwebmail.org)
---------- Original Message -----------
From: Bruce Ravel
On 05/30/2016 01:25 PM, sb2c08@gmail.com wrote:
We recently collected laser pump-probe XAS data out to k=9. The process to get the excited state is to take the laser off minus the laser on data. I'm a little unsure in terms of trying to fit the difference EXAFS and is it possible via Athena? So far I model the EXAFS of the excited state and take away from the ground state model and compare visually. The only way I can think is to work out the % conversion and add that % of laser off back to the difference data in order to get the real EXAFS of the excited state, which can be fitted through Athena. But this is really difficult and probably inaccurate?
Of course it's not possible to fit and EXAFS spectrum in Athena. Artemis is the program for fitting the EXAFS.
I am unclear on what you have tried so far, so I am a little unsure what kind of answer you are looking for. Artemis was not really written with your sort of experiment in mind. That said, if your problem is fit some theory from Feff to a measured spectrum with some fitting model -- that is what Artemis is for. As with any difficult problem, you need to understand your data and your model and you need to understand Artemis well enough to implement the fit. But there is no magical, hidden button that says "fit my pump-probe data."
B
-- Bruce Ravel ------------------------------------ bravel@bnl.gov
National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 535A Upton NY, 11973
Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit ------- End of Original Message -------
On 05/31/2016 08:49 AM, alessandro longo wrote:
Hi to everyone,
I'm beamline scientist at DUBBLE at ESRF and I was using currently atoms on the web. I don't want to disturb to much, but I was wondering why now this beatifull tool does't work anymore. It works only to create the atoms.inp, but it was nice to have the feff.inp ready from the web application. The main motivation is somtimes the ifeffit tool is not installed. Sorry If i took your time and thank you for your answer. best Alessandro
It would be nice if you started a new thread for a new question rather than hijacking an existing thread.... Last December, the computer that hosted the web atoms tool died dramatically. When Matt rebuilt that server, atoms did not get restored. The web version of atoms was based on very out date code. Bottom line is that I need to rewrite the web atoms tool using the current code base. It's on my list of things to do. B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 535A Upton NY, 11973 Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/
Searching the collection of atoms.inpt files to retrieve atoms.inp files that can be run with Artemis does work: http://cars9.uchicago.edu/~newville/adb/search.html Running Atoms on the server does not work. The old server had been running the pre-Demeter perl code that's no longer supported. As we say at the APS, "No estimate for refill". --Matt
Thank you! and sorry if i didn't start new thread.
I'm looking forward to use with the new atoms applications
best
Ale
--
Ph.D Alessandro Longo
researcher of National Council Research
ISMN-CNR
e-mail: alessandro.longo@cnr.it
phone: 00390916809359
fax : 00390916809399
Open WebMail Project (http://openwebmail.org)
---------- Original Message -----------
From: Bruce Ravel
On 05/31/2016 08:49 AM, alessandro longo wrote:
Hi to everyone,
I'm beamline scientist at DUBBLE at ESRF and I was using currently atoms on the web. I don't want to disturb to much, but I was wondering why now this beatifull tool does't work anymore. It works only to create the atoms.inp, but it was nice to have the feff.inp ready from the web application. The main motivation is somtimes the ifeffit tool is not installed. Sorry If i took your time and thank you for your answer. best Alessandro
It would be nice if you started a new thread for a new question rather than hijacking an existing thread....
Last December, the computer that hosted the web atoms tool died dramatically. When Matt rebuilt that server, atoms did not get restored. The web version of atoms was based on very out date code.
Bottom line is that I need to rewrite the web atoms tool using the current code base.
It's on my list of things to do.
B
-- Bruce Ravel ------------------------------------ bravel@bnl.gov
National Institute of Standards and Technology Synchrotron Science Group at NSLS-II Building 535A Upton NY, 11973
Homepage: http://bruceravel.github.io/home/ Software: https://github.com/bruceravel Demeter: http://bruceravel.github.io/demeter/ _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit Unsubscribe: http://millenia.cars.aps.anl.gov/mailman/options/ifeffit ------- End of Original Message -------
participants (4)
-
alessandro longo -
Bruce Ravel -
Matt Newville -
sb2c08＠gmail.com