Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-22 Thread Zajac, Dariusz A.
24.590866 (5.737253) 'K4W(CN)8 R(1.7-4) bkg SCF' 102.2653510 4.7905060 2.265237 (4.790501) >-Original Message- >From: ifeffit-boun...@millenia.cars.aps.anl.gov >[mailto:ifeffit-boun...@millenia.cars.aps.anl.gov] On Behalf >Of Matt Newv

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-20 Thread Matt Newville
Hi Dariusz, Just to follow up on Stefan's request to not post large attachments to email: The ifeffit web page is a wiki, and would be an ideal place for posting the data (feff inputs, project files, images of plots) for such questions. You can read up on the wiki page for how to do create pages

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-20 Thread joshua jason kas
results. Josh > From: "Frenkel, Anatoly" > Subject: Re: [Ifeffit] problem with E0 (enot) parameters > To: "XAFS Analysis using Ifeffit" , > "XAFS Analysis using Ifeffit" > Message-ID: > > Content-Type: text/plain; charset="is

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-20 Thread Stefan Mangold
ubject: 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

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-19 Thread Frenkel, Anatoly
ffit-boun...@millenia.cars.aps.anl.gov] On Behalf > Of Zajac, Dariusz A. > Sent: Friday, June 19, 2009 9:45 AM > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] problem with E0 (enot) parameters > > Hi Scott, > I am afraid that E0 jumps over the edge - see bmp's in the > atta

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-19 Thread Kropf, Arthur Jeremy
ffit-boun...@millenia.cars.aps.anl.gov] On Behalf > Of Zajac, Dariusz A. > Sent: Friday, June 19, 2009 9:45 AM > To: XAFS Analysis using Ifeffit > Subject: Re: [Ifeffit] problem with E0 (enot) parameters > > Hi Scott, > I am afraid that E0 jumps over the edge - see bmp's in the > atta

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-19 Thread Scott Calvin
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 i

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-19 Thread Scott Calvin
--> -0.2572 > ss_C and bkg01_14 --> 0.2569 > amp and enot_O --> 0.2560 >ss_C and bkg01_04 --> -0.2528 > All other correlations are below 0.25 > > Background parameters "bkg01_XX" belong to data set RP314a > K4W(CN)8x2H2O

Re: [Ifeffit] problem with E0 (enot) parameters

2009-06-19 Thread Scott Calvin
Hi Zajac, What happens if you constrain all E0's to be the same? In the fit where they come out large, what are the uncertainties in the E0's? What are their correlations with other fitted parameters? There has been some debate in this list on the past as to how useful it is to allow for d

[Ifeffit] problem with E0 (enot) parameters

2009-06-19 Thread Zajac, Dariusz A.
Hi all, can anybody help me and send some link about problems with enot in Artemis? in google, tutorials I couldn't find any help. Of course are few posts about delr or ss parameters, but enot is somehow omited (or I can not find it...) the problem is with fiting K4W(CN)8*2H2O at W:L3 edge. fit an