[Ifeffit] problem with E0 (enot) parameters

[Zajac, Dariusz A.]

Hi Scott,
I am afraid that E0 jumps over the edge - see bmp's in the attachment
(files with enot_12 means E0=12...). Hovewer 12 eV is still less than
k=3 (the starting k value). Can it influence? I did also once more fit
with R from 1.7 to 4A. Fits of first 2 peaks are identical - you can see
in the attachment too...
I hope you and anyone from the mailing list don't mind that I am
attaching so many files...

cheers
darek

>-----Original Message-----
>From: ifeffit-bounces at millenia.cars.aps.anl.gov 
>[mailto:ifeffit-bounces at millenia.cars.aps.anl.gov] On Behalf 
>Of Scott Calvin
>Sent: Friday, June 19, 2009 2:49 PM
>To: XAFS Analysis using Ifeffit
>Subject: Re: [Ifeffit] problem with E0 (enot) parameters
>
>
>Hi Darek,
>
>OK, so if the K, H, and O don't affect the fit much for the C and N,  
>and the K, H, and O are returning nonsensical values, then a logical  
>possibility is that the E0's for C and N are correct. If you 
>add 12 eV  
>to the E0 you chose in Athena, where in the spectrum does it fall? Is  
>it still before the white line? If so, it seems to me you 
>don't have a  
>problem. If not, then we have to ponder further.
>
>--Scott Calvin
>Sarah Lawrence College
>
>On Jun 19, 2009, at 8:28 AM, Zajac, Dariusz A. wrote:
>
>> Hi Scott,
>> look also at H and O,
>> but for me and for this fit important are only W-C and W-C-N 
>bondings. 
>> This sample is an reference sample for other cyano-brigded networks.
>> So
>> you suggest to focuse on K ions? how can it help with first 
>2 peaks? K
>> is at ~5A.
>> I have analysed in larger R space only to see how the 
>spectrum behave.
>> contribution from K, O etc. at k highers than 5A is for me too low to
>> analyse it resonable for such compound.
>> I have attached in the previus post the last version of results.  
>> Anyway,
>> enots for C and N do not change if I am enlarging R region (when I am
>> including next paths, also for K).
>> about material I am quite sure ;) and crystal structure is from
>> literature
>>
>> in the attachment you will find bmp file of the fit: data, fit, bkg
>> and
>> K path.
>> fitting ranges k(3-15) R(1.7-6) dk 2 dr 0.5, phase correction -  
>> first C
>>
>> cheers
>> darek
>>
>
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