Re: [Ifeffit] problem in data processing in athena (Arkaprava Das)

ipermail/ifeffit/ > attachments/20160924/286588ff/attachment.xls> > > -- > > Subject: Digest Footer > > ___ > Ifeffit mailing list > Ifeffit@millenia.cars.aps.anl.gov > http://millenia.cars.aps.anl.gov/m

Re: [Ifeffit] Ifeffit Digest, Vol 150, Issue 3

pecific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > >1. Re: Ifeffit Digest, Vol 150, Issue 2 (Abhijeet Gaur) >2. Re: Measuring particle size by coordination number (Maxim Boyanov) >

Re: [Ifeffit] Ifeffit Digest, Vol 150, Issue 2

sizes that are small compared to those > provided by other techniques, but compares sizes between different samples > quite well. > > ?Scott Calvin > Sarah Lawrence College > > > -- *Dr. Abhijeet Gaur* *Post doctoral fellow in the Institute for Chemical Te

[Ifeffit] Measuring particle size by coordination number

the first path in the fitting. With thanks Abhijeet Gaur -- *Dr. Abhijeet Gaur* *Post doctoral fellow in the Institute for Chemical Technology and Polymer Chemistry * *Karlsruher Institut für Technologie (KIT), Karlsruhe Germany.* ___ Ifeffit

Re: [Ifeffit] Ifeffit Digest, Vol 137, Issue 4

://bruceravel.github.io/demeter/. With best wishes Dr Abhijeet Gaur On Wed, Jul 2, 2014 at 12:52 PM, wrote: > Send Ifeffit mailing list submissions to > ifeffit@millenia.cars.aps.anl.gov > > To subscribe or unsubscribe via the World Wide Web, visit > http://millenia.c

Re: [Ifeffit] Ifeffit Digest, Vol 133, Issue 1

Subject line so it is more specific > than "Re: Contents of Ifeffit digest..." > > > Today's Topics: > >1. Analysis of EXAFS data of a Zn sample with the theoretical > model of a similar Mn sample (Abhijeet Gaur) >2. Re: Analysis of EXAFS data of

[Ifeffit] Analysis of EXAFS data of a Zn sample with the theoretical model of a similar Mn sample

generated for Mn sample for the EXAFS analysis of the Zn sample? How much error is expected in the structural parameters obtained from such fittings? With thanks in advance -- Dr. Abhijeet Gaur ___ Ifeffit mailing list Ifeffit

[Ifeffit] How can I fit the results obtained from FEFF9 to the experimental data using the ARTEMIS.

from FEFF9 to the experimental data using the ARTEMIS. I have tried to search the answer on the ifeffit mailing list but unable to find a satisfactory one. With thanks in advance -- Dr. Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.a

[Ifeffit] Worm in SixPack

. I am sorry if I am asking a question already asked on this list but I had searched this on ifeffit mail archieve, but unable to find a similar problem. Kindly help. With thanks Abhijeet Gaur ___ Ifeffit mailing list Ifeffit

[Ifeffit] Peak fitting analysis

the coordination. I am trying Peak fitting analysis with Athena, but unable to get some results. May be I am doing something wrong. The Athena project is attached herewith. With thanks Abhijeet Gaur athena peak fitting.prj Description: Binary data

[Ifeffit] Re : EXAFS analysis of a sample having two metal centres with different coordination geometry

ter? I hope this will make my problem clear to the members of the mailing list. With thanks Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] EXAFS analysis of a sample having two metal centres with different coordination geometry

. If someone can suggest some available literature on this problem, it will be really helpful to me. With thanks Abhijeet Gaur Research Scholar School of Studies in Physics Vikram University, Ujjain, India ___ Ifeffit mailing list Ifeffit

Re: [Ifeffit] Opening SSRL data in Athena (Abhijeet Gaur)

can check your data format there. Then, you can import your data. Abhijeet Gaur Research Scholar School of Studies in Physics Vikram University Ujjain, India Hello Everyone, I have a question about using Athena to analyze data taken at SSRL beam line 11-2. I can't seem to open the files, a

[Ifeffit] EXAFS fitting method

first question is that - *use the crystal structure of a * * similar sample,* then what are the conditions under which we can use the known crystal structure of one sample for other samples ? Thanks in advance Abhijeet Gaur ___ Ifeffit mailing list

[Ifeffit] Multiple scattering paths in fitting

m multiple scattering paths? 2. What values of delr should be relevant for MS paths. 3. How can we determine the bond-angles from multiple-sacttering paths using Artemis fitting method. With thanks Abhijeet Gaur School of Studies in Physics Vikram Universi

[Ifeffit] Space group notation

I read the tutorial on "Atoms", still not able to resolve the problem. Please help. With regards Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Ei component

resolution ? With regards Abhijeet Gaur Vikram University Ujjain, India ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] Neg SS

had alraedy read about this Ei component earlier in papers, but I am unable to follow the procedure like how to calculate it using a known standard. From where I can get literature related to this? It will be really helpfull. With regards Abhijeet Gaur Feff clac K1.docx Description: application

Re: [Ifeffit] SIXPack How to plot the data

mView module imports all data, and writes a 2 column ascii. The other use a plain, 2 column ascii format. Hope that helps. Sam" The file sent by Sam webb sir is attached. Thus, now I am able to understand how to plot the data in SAMView as well as other analysis sections. Thanks to mailing lis

Re: [Ifeffit] SIXPack : How to plot data file

Hi all, As I already said I am not able to find any column of mu(E) in the column assingment, so I am not able to plot it. But, when I opened the E, I0, It format file the SIXPack is giving the following error Error: 1 IndexError Exception in Tk callback Function: (type: ) Args: (

Re: [Ifeffit] Fiiting Result

my results with the published results. I just want to make it clear that where I am going wrong. Also, I am sorry to all members of mailing list for asking the same problem again and again. With thanks Abhijeet Gaur ___ Ifeffit mailing li

Re: [Ifeffit] Ifeffit Digest, Vol 83, Issue 22

Dear Rashmi, Vijay, Abhijeet, , Can you please ask this question more precisely? Asking for "guidance" is a bit too vague to expect a helpful answer. > I am doing some data analysis of XANES as well as EXAFS data using > data analysis software SIXPack. I am not able to load any data file. T

[Ifeffit] SIXPack: How to load a data file

Hi all, I am doing some data analysis of XANES as well as EXAFS data using data analysis software SIXPack. I am not able to load any data file to get the spectra plotted. I used E and mu(E) data format file. Also I try to open E, I0, It data format file but still not able to open or plot a

[Ifeffit] Re :Fitting result

> > 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 > > Hi Madam, Is there any problem with the theoretical structure that I generated in Artemis or my experimental dat

[Ifeffit] Fitting using Experimental standard

Artemis? or we have to use some other method. with thanks Abhijeet Gaur 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

[Ifeffit] SO2 parameter for Cu2O

them, the same problem of low SO2 is coming. In some research papers given SO2 parameter for Cu2O equal to 0.82. But I am unable to get that why all the Cu2O data giving low value of SO2. Is there any other fitting procedure to fit the compounds like Cu2O ?? With thanks Abhijeet Gaur

[Ifeffit] SO2 parameter problem

after fitting them, the same problem of low SO2 is coming. In some research papers given SO2 parameter for CuO2 equal to 0.82. But I am unable to get that why all the CuO2 data giving low value of SO2. Is there any other fitting procedure to fit the compounds like CuO2 ?? With thanks Abhijeet Gaur

Re: [Ifeffit] Ifeffit Digest, Vol 80, Issue 7

Abhijeet, I took a quick peak at your project and I find it very confusing. In the most recent fit, you are fitting only from 3.5 to 4.4 -- the area under the *third* peak in the data. I don't really know how to comment on this project because you have set a large number of parameters to seeming

Re: [Ifeffit] Ifeffit Digest, Vol 79, Issue 9

The FEFF6L distributed with Ifeffit is only set up to calculate EXAFS. If you want the near edge structure, you will have to use FEFF8 separately. Hello Carlo Sir, Sorry to give you trouble again about the same reply of yours. Is it possible to get mu(E) of EXAFS, say beyon

Re: [Ifeffit] Ifeffit Digest, Vol 79, Issue 8

Hi Abhijeet: The FEFF6L distributed with Ifeffit is only set up to calculate EXAFS. If you want the near edge structure, you will have to use FEFF8 separately. Cheers, Carlo Hello Carlo Sir, Thanks for your quick response. But if you can tell me, from where I can get FEFF8 to

[Ifeffit] mu(E) of theoretically calculated spectra

chi(k) spectra. Or in order get the theoretically calculated mu(E) spectrum of the given structure , we have to use FEFF code alone. How it can be done? with thanks Abhijeet Gaur Vikram University Ujjain (INDIA) ___ Ifeffit mailing list Ifeffit

[Ifeffit] Principle Component Analysis

the literature related to these questions, I will be very thankful. with thanks Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] Ifeffit Digest, Vol 78, Issue 8

Re ( Athena User Guide) Hello, Is it the same user guide that comes with the ATHENA software ? If not I also need a copy. Abhijeet On 8/12/09, ifeffit-requ...@millenia.cars.aps.anl.gov < ifeffit-requ.

Re: [Ifeffit] Ifeffit Digest, Vol 77, Issue 19

if you need your fourier transform as seen in Athena, you just plot the magnitude column with data. I think this will work Abhijeet Gaur School of Studies in Physics Vikram University Ujjain ( India) On

Re: [Ifeffit] Ifeffit Digest, Vol 77, Issue 8

around 0.007. Please tell me from where I can get the standard value of SO2 calculated theoretically in the literature. with regards Abhijeet Gaur Dear Abhijit, > > > > The parameters So2 and SS are highly correlated. The negative value of SS > does not make any physical signific

[Ifeffit] Fitting Cu2O

coming very high , i.e., 0.016 - 0.021. But the fit seems to be quiet good. Are these higher values of SS parameter correct. The resulting figure is attached. with thanks Abhijeet Gaur School of Studies in Physics Vikram University, Ujjain, INDIA

[Ifeffit] Fitting procedure

Hello Matt Sir, Thanks a lot. I will include the error bars in fitted value for sure. with regards Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Fitting procedure

temperature. Are these parameters within the experimental error limit. Please tell me with regards Abhijeet Gaur ___ Ifeffit mailing list Ifeffit

[Ifeffit] Fitting procedure

I want to add some more things I have done 1) E0 is kept same for all the shells 2) All other parameters like SO2 , del r , SS2 are calculated separately for different shells. So. is there problem with taking different SO2 for different shells. Surely del r and SO2 will be different for different

[Ifeffit] Fitting procedure

. with thanks Abhijeet gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Fitting procedure

I got are extremely good. Thus I am using this method. Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] High SO2

for the next shell. Is it not right. Please tell me Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] High SO2 value

in advance Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Athena data

Hi Price, Now I got my data imported into Origin. Thanks with regards Abhijeet Gaur Vikram University Ujjain M.P. ( India ) ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo

[Ifeffit] Got Athena data plotted

Thanks a lot kicaj, I followed the procedure step by step and I got the data plotted in Excel. Thanks again Kicaj. Abhijeet ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/

[Ifeffit] Getting data from athena

Hi , I tried the method as told by Bruce & Scott to get the data from Athena and then plot it into Excel or Origin. I got the data of chi(R) in different columns in a notepad file but when I try to copy it in Origin or Excel all the column values got copied into one column , Thus I am no

[Ifeffit] Cu data

helpfull. Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] I got that

Thanks Dr. Dominik . I should have tried this on web .Anyways thanks again Sir. Abhijeet ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Attachment

Hi Dr. Bruce Actually I got the idea that we had to take into account the multiple scatterring path during fitting. But I am not able open the attachment that you have send , it is some vlc media file. Can you please send it in some other format like pdf.I will be very thankfull to

[Ifeffit] Neagtive amplitude

Hi all, I am fitting a *copper foil* . I am getting a good fit after using the *4 single scattering paths* but in case of *fourth path* I am getting *negative amplitude*. What should be the *probable reason* for that as I am getting a *very good fit*. with thanks Abhijeet Gaur

[Ifeffit] Artemis fitting problem

Hi every one, Actually I want to know that is it necessary to fit Ei, 3rd, 4th, cumulant in the fitting procedure .If yes then please tell me how to get them involve in the fit .when I give parameter like guess 3rd, guess 4th . Artemis dont take them . One more thing is that I a

[Ifeffit] Artemis fitting problem

Hi Scott, I know that alpha is not a temperature expansion coefficient .I guess it is a volume expansion coefficient( tell me if I am right). Actually I want to know that is it necessary to fit Ei, 3rd, 4th, cumulant in the fitting procedure .If yes then please tell me how to ge

[Ifeffit] Artemis parameter

Hi Scott, I know that alpha is not a temperature expansion coefficient .I guess it is a volume expansion coefficient( tell me if I am right). Actually I want to know that is it necessary to fit Ei, 3rd, 4th, cumulant in the fitting procedure .If yes then please tell me how to ge

[Ifeffit] Fwd: Guessed parameter and Einstien temperature

parameters in the fit results . With thanks Abhijeet Gaur ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

[Ifeffit] Guessed parameter and Einstien temperature

the value of alpha and thetad . Also I am not getting the value of Ei, 3rd and 4th cumulant in the fit results . So How can I get the value of these parameters in the fit results . With thanks Abhijeet Gaur ___ Ifeffit mailing list Ifeffit

[Ifeffit] Artemis parameters

Hi I am fitting a copper foil whose data is taken at room temperature. So do I need to change the guess value of parameters enot, ss,amp, delr to some other value or I should take them as the default guess value. Also what should be the ideal fitting range in R for the copper foil. With than

[Ifeffit] EXAFS data

Hi We have Farell Lytle type data. When we put that into ATHENA we get the Energy curve. But we are not able to extract that Energy converted data from ATHENA . We tried to import the data in ORIGIN but we could not do so though the graph was imported.So if there is any way to extract the data

[Ifeffit] How to get the accurate fittting results from the fit in Artemis

Hi Actually I trying to learn the fitting procedure in Artemis but I am not getting the actual bond length in the fit results of artemis . So I want to know that that how to get actual parameter from Artemis.And how to exploit the result of Artemis.

[Ifeffit] Athena's application

>I am doing my research work on EXAFS . For > that I am using the software ATHENA for analyzing my data > which my guide had brought from SSRL ( USA ) . But there is > some problem in that , Athena is taking the data and > plotting it but is not giving the required parameters.