[Ifeffit] What you see is "not" what you get: help

Ismael Graff graff at fisica.ufpr.br
Fri Jul 10 11:55:20 CDT 2009


Dear Bruce,

with the suggestion of Leandro I can do what I want to. So, thanks again
Leandro for your help!

This is just a very small bug that may happen, Athena and friends programs
work very well in my opinion! I have to thank you Bruce, and also your
colleagues (Matt Newville and others), to make such programs available for
free. It is very important for the dissemination of science all over the
world.

As Dr. Abdus Salam (physics Nobel laureate in 1979) said:

"Scientific thought is the common heritage of mankind"


All the best, Ismael.



>
> Ismael,
>
> Well.... I did something very silly.  As Leandro surmised, Athena writes
> mu(E) rather normalized mu(E) to the peak fitting log file.  I am rather
> perplexed as to how I did not notice that before....  I guess you get what
> you pay for, eh? ;-)
>
> Anyway, the problem is fixed in svn.  I will rebuild the athena executable
> next week and make an update.  In the meantime Leandro suggested a fairly
> simple work-around, which I too would recommend.
>
> B
>
> --
>  Bruce Ravel  ----------------------------------- bravel at bnl.gov
>
>  National Institute of Standards and Technology
>  Synchrotron Methods Group at Brookhaven National Laboratory
>  Building 535A
>  Upton NY, 11973
>
>  My homepage:    http://cars9.uchicago.edu/~ravel
>  EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
>
>
>
>
> -----Original Message-----
> From: ifeffit-bounces at millenia.cars.aps.anl.gov on behalf of Ismael Graff
> Sent: Thu 7/9/2009 2:52 PM
> To: ifeffit at millenia.cars.aps.anl.gov
> Subject: [Ifeffit] What you see is "not" what you get: help
>
> Hi folks,
>
> I´ve been working on Xanes peaks fitting with Athena (last version) and I
> found a strange behaviour. I get a "good" fit looking to the Graphics
> Window of Athena and to the minimized parameters (R-factor, etc). However,
> when I use the data of the fit generated by Athena "write a log file"
> feature and plot them in Origin, the fit looks bad! In order to get a
> "good looking" fit in Origin I have to change the parameters ad-hoc in
> Athena fitting dialog box. When I do this, the fit looks bad in Athena
> Graphics window and better in Origin.
> The values that are inserted ad-hoc in Athena are not the optimized ones
> from the fitting procedure output. I have attached the log file from
> Athena fit and two figures: a PS figure from Athena and a JPG figure from
> Origin.
> It resembles that the generated data from Athena are not exactly these
> ones that I see in the Graphics window!
>
> I´m looking for help from someone out there.
>
> Kind regards, Ismael.
>
>
> --
> Ismael Leandro Graff
>
> Departamento de Física - UFPR
> Centro Politécnico, CP 19044
> 81531-990, Curitiba, Brazil.
> Tel: +55 41 3361 3427
> Fax: +55 41 3361 3418
>
> _______________________________________________
> Ifeffit mailing list
> Ifeffit at millenia.cars.aps.anl.gov
> http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
>


-- 
Ismael Leandro Graff

Departamento de Física - UFPR
Centro Politécnico, CP 19044
81531-990, Curitiba, Brazil.
Tel: +55 41 3361 3427
Fax: +55 41 3361 3418





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