[Ifeffit] Peak fitting to XANES data

Bruce Ravel bravel at bnl.gov
Thu Apr 21 11:01:59 CDT 2011

Hi Zhixi,

I am responding to your question on the Ifeffit mailing list
(http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit) which is
the appropriate venue for questions about the software.  I encourage
you to join the mailing list and use it for future questions about XAS
or the use of our software.

As for your questions, there are at least two options.  The button
labeled "Write a log file" actually exports a column data file with
the results of the fit in the header and columsn of data containing
the data, the fit, and each of the lineshapes.  This file can be
imported easily into Origin or most any other plotting program.  The
header also provides the parameters and formulas of the lineshapes, so
you can easily replicate the fitted functions.

The other option is that the tab labeled has the parameter values from
the fit, so you can use those to replicate the line shapes.


On Thursday, April 21, 2011 11:04:10 am you wrote:
> Good morning,
> Thank you for your attention. I use the peak fitting to some XANES data
> using an arc-tangent and a Lorentzian. I got the fitting results and
> analytical line shapes at Graphics Window #1, i.e. fit, step, peak 1. I
> want to obtain the data of these lines, but I did not find the method. I
> have no idea about this problem because I have to use the data in Origin
> soft.
> Thank you for your help.
> Sincerely,
> Zhixi Zhao
> Institute of Applied Ecology


 Bruce Ravel  ------------------------------------ bravel at bnl.gov

 National Institute of Standards and Technology
 Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
 Building 535A
 Upton NY, 11973

 My homepage:    http://xafs.org/BruceRavel
 EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/

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