[Ifeffit] Athena crash during LCA

Scott Calvin dr.scott.calvin at gmail.com
Fri Jan 7 22:24:33 CST 2011


Jeff--sorry, I guess my grammar got a little convoluted. It DOES work  
with norm(E) and deriv(E) fitting for me as well. It does NOT work  
with chi(k) fitting for me.

--Scott Calvin
Faculty at Sarah Lawrence College
Currently on sabbatical at Stanford Synchrotron Radiation Laboratory

On Jan 7, 2011, at 7:58 PM, Jeff Terry wrote:

> Did not try really hard to work with it.
>
> Fitting Data as norm(E) from -20.000 to 30.000
>
> Fit included 98 data points and 3 variables
> R-factor = 0.000263
> chi-square = 0.04347
> reduced chi-square = 0.0004482
>
>   group                weight
> =======================================
>  2: Standard 1         1.000(0.000)
>  3: Standard 2         0.455(0.000)
>
>
>   group                e0 shift
> =======================================
>  2: Standard 1        -0.905( 0.000)
>  3: Standard 2        -0.905( 0.000)
>
>
>
> <PastedGraphic-1.pdf>
>
> On Jan 7, 2011, at 8:07 PM, Scott Calvin wrote:
>
>> Hi all,
>>
>> Athena has been crashing for me during one particular linear  
>> combination analysis, and I'm wondering if any of you have an  
>> explanation. A project file which demonstrates the problem is  
>> attached. I am using Athena 0.8.054 with ifeffit 1.2.10 on a  
>> MacBook Pro using OS 10.5.8.
>>
>> The behavior can be seen by trying to fit the Data group by using a  
>> linear combination of Standard 1 and Standard 2 in chi(k). It gets  
>> as far as "plotting in k-space from group 'Data'...done!' and then  
>> hangs, with the watch icon remaining indefinitely. This doesn't  
>> happen in norm(E) or deriv(E) fits, and doesn't happen when  
>> Standard 1 is not used. But Standard 1 appears to have uncorrupted  
>> chi(k) data when plotted directly. Standard 1 is from one of the  
>> XDAC lines at NSLS, as are the standards that work.
>>
>> I've tried saving Standard 1 and reading it in as a new group, but  
>> no luck. I've also looked at the data in Standard 1, and I don't  
>> see anything out of place, such as a place where the energy backs  
>> up. I've tried starting the chi(k) file with zero values,  
>> truncating the end values, and changing the background spline to  
>> end at the same point the data does. And it always hangs at the  
>> same point.
>>
>> Any ideas? I'd like to use this data for a workshop next week!
>>
>> --Scott Calvin
>> Faculty at Sarah Lawrence College
>> Currently on sabbatical at Stanford Synchrotron Radiation Laboratory
>>
>> <LCACrash.prj>
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>




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