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)
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
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) _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
participants (2)
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Abhijeet Gaur -
Shelly Kelly