[Ifeffit] Fitting results
Shelly Kelly
dr.sdkelly at gmail.com
Thu Jan 21 09:24:32 CST 2010
Hi Abhijeet,
I think that there is a problem with you structure for Cu2O. Each Cu
atoms must be coordinated by more than just two O atoms in the first
shell.
Shelly
On Thu, Jan 21, 2010 at 1:28 AM, Abhijeet Gaur <abhijeetgaur9 at gmail.com> wrote:
> Hello Sir,
> I had done fitting of a Cu2O data taken at SSRL EXAFS
> beamline in transmission mode, Stanford, by my research guide
> Dr. B. D. Shrivastava.
> I had used here the fiting procedure as discussed before in
> this mailing list. The fitted curves are coming nice, but the
> values of some fitting parameters are not reliable as shown
> bold below.
> amp = 0.4898160 +/- 0.0469990 (1.0000)
> enot = 7.6843630 +/- 0.4828620 (0.0000)
> alpha = 0.0022670 +/- 0.0030950 (0.0000)
> ss011 = 0.0003280 +/- 0.0013130 (0.0030)
> sscu11 = 0.0174780 +/- 0.0016220 (0.0030)
> sscu11o11 = 0.0470530 +/- 0.0655560 (0.0030)
> ss012 = 0.0070100 +/- 0.0044660 (0.0030)
> sscu12 = 0.0186980 +/- 0.0093570 (0.0030)
> ss013cu11 = 0.0088980 +/- 0.0190580 (0.0030)
> sscu13 = 0.0196150 +/- 0.0062940 (0.0030)
> sscu13012 = 0.0084870 +/- 0.0067030 (0.0030)
> sscu11cu11 = 0.0071110 +/- 0.0132390 (0.0030)
> sscu12cu11 = 0.0111440 +/- 0.0139470 (0.0030)
> Def parameters (using "FEFF0: Path 1: [O1_1]"):
> delr = 0.0041920
>
> So, if someone can please tell me that where I had done wrong or what should
> I do to make things right I will be very thankful. The Artemis project
> file is attached herewith.
>
> With regards
> Abhijeet Gaur
> Research Scholar
> School of Studies in Physics
> Vikram University, Ujjain (INDIA)
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