[Ifeffit] low and negative ss2 and bug in the log file of fit history

Ravel, Bruce bravel at bnl.gov
Mon Jun 1 15:01:28 CDT 2015


> Further i have found a small bug in the fit history window. After each fit, earlier data set in the log file of
> fit history is found to overwritten with the latest fitting parameters (like k range, dk, etc..). Here in my
> log file window, all fit data set contain the same data set value as like the last fit (fit9).

This appears to be the same issue discussed in this thread:

  http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg04877.html<http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg04877.html>

If you try one of the so-called "pre-release" versions at

  http://bruceravel.github.io/demeter/#windows

I think you'll find that the problem goes away.

B

--
 Bruce Ravel  ------------------------------------ bravel at 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

________________________________
From: ifeffit-bounces at millenia.cars.aps.anl.gov [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of Raj kumar [rajrk37 at gmail.com]
Sent: Monday, June 01, 2015 11:42 AM
To: ifeffit at millenia.cars.aps.anl.gov
Subject: [Ifeffit] low and negative ss2 and bug in the log file of fit history

Dear All,

I am trying to fit the first shell FT of bulk YbVO4 (measured in dispersive EXAFS) with the reference YbVO4. The resultant SS2 value for the first shell is found to be low for wide k-range selection, whereas approaching negative for the relatively short k-range window. While approaching negative value (of ss2), i have tried to constraint the ss2 value using expression abs(ss). In that case, ss2 value is found to take value 0. Please help me to figure out the problem.


Regards,
Raj

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