[Ifeffit] Projekt with the flatten-problem
Hi, find attached an example with the flatten-problem. thanks a lot, jens Hi, I have a normalization problem with Athena. If I turn on the flatten option in the background removal section, Athena creates in some of the normalized spectra a step in the pre-edge range. How can I get rid of it? Thanks, jens Flatten.prj Description: Binary data ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
Re: [Ifeffit] Re: ZnO Artemis demo - problem with dr parameter
Hi Craig, The correct version of the example has now been uploaded to the Ifeffit Wiki: http://cars9.uchicago.edu/iffwiki/HoraeSoftware --Scott Calvin Sarah Lawrence College At 11:09 AM 1/9/2007, Scott Calvin wrote: Hi Craig, I'm cc'ing this to the Ifeffit mailing list, as others may encounter similar problems. It's not your novice-ness that's causing the problem; it's a version issue. I wrote the ZnO example when an older version of the software was current. Since then, dr became a reserved variable, and can't be user defined. (Bruce could probably give the reason for that change.) I fixed that, but it looks like the older version of the tutorial is being included with the current distributions of Ifeffit and friends. We'll fix that. In the meanwhile, though, you can just change the variable names by hand to delr or something like that (you have to change them in both the GDS screen and the path screens, or course). Sorry about that. ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
RE: [Ifeffit] Projekt with the flatten-problem
Hi Jens, I believe the problem is related to the structure in the data before E0. If you choose e0 to be at the beginning of the structure then the normalization is handled better by Athena. Take a look at the attached project file. The first data set with e0 on the edge as you would choose for EXAFS analysis (e1) shows the error that Jens reported. The second data set with a lower value for e0 at the beginning of the structure (e2) gets the job done. Cheers, Shelly --- Shelly Kelly Argonne National Laboratory Bldg 203, RM E113 9700 S. Cass Ave Argonne, IL 60439 Molecular Environmental Science Group www.mesg.anl.gov [EMAIL PROTECTED] phone: 630-252-7376 -Original Message- From: [EMAIL PROTECTED] [mailto:ifeffit- [EMAIL PROTECTED] On Behalf Of Jens Kruse Sent: Thursday, January 11, 2007 2:38 AM To: Athena mailing List Subject: [Ifeffit] Projekt with the flatten-problem Hi, find attached an example with the flatten-problem. thanks a lot, jens Hi, I have a normalization problem with Athena. If I turn on the flatten option in the background removal section, Athena creates in some of the normalized spectra a step in the pre-edge range. How can I get rid of it? Thanks, jens Flatten.prj Description: Flatten.prj ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
RE: [Ifeffit] Projekt with the flatten-problem
Jens, It appears to me that the E-shift is causing the problems with the step in the pre-edge data. Shelly's data only appears to remove the step because the pre-edge and the extrapolated post-edge plots are nearly parallel. If you adjust the Normalization range in Shelly's data you will see the step appear again. However, if you set the E-shift to zero and reset Eo, pre-edge range, and normalization range (to your liking) you will see that the step is goes away. So the work around would be to subtract the E-shift from your Raw data, then import into Athena and do not use any E-shift. Bruce or Matt may have to comment, but it appears to me that the normalization/flatten routine may not be dealing with the E-shift appropriately. Dave -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Kelly, Shelly D. Sent: Thursday, January 11, 2007 11:11 AM To: XAFS Analysis using Ifeffit Subject: RE: [Ifeffit] Projekt with the flatten-problem Hi Jens, I believe the problem is related to the structure in the data before E0. If you choose e0 to be at the beginning of the structure then the normalization is handled better by Athena. Take a look at the attached project file. The first data set with e0 on the edge as you would choose for EXAFS analysis (e1) shows the error that Jens reported. The second data set with a lower value for e0 at the beginning of the structure (e2) gets the job done. Cheers, Shelly --- Shelly Kelly Argonne National Laboratory Bldg 203, RM E113 9700 S. Cass Ave Argonne, IL 60439 Molecular Environmental Science Group www.mesg.anl.gov [EMAIL PROTECTED] phone: 630-252-7376 -Original Message- From: [EMAIL PROTECTED] [mailto:ifeffit- [EMAIL PROTECTED] On Behalf Of Jens Kruse Sent: Thursday, January 11, 2007 2:38 AM To: Athena mailing List Subject: [Ifeffit] Projekt with the flatten-problem Hi, find attached an example with the flatten-problem. thanks a lot, jens Hi, I have a normalization problem with Athena. If I turn on the flatten option in the background removal section, Athena creates in some of the normalized spectra a step in the pre-edge range. How can I get rid of it? Thanks, jens ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
RE: [Ifeffit] Projekt with the flatten-problem
Good going Dave. I think that you are correct. Shelly -Original Message- From: [EMAIL PROTECTED] [mailto:ifeffit- [EMAIL PROTECTED] On Behalf Of Barton, David (DG) Sent: Thursday, January 11, 2007 10:49 AM To: 'XAFS Analysis using Ifeffit' Subject: RE: [Ifeffit] Projekt with the flatten-problem Jens, It appears to me that the E-shift is causing the problems with the step in the pre-edge data. Shelly's data only appears to remove the step because the pre-edge and the extrapolated post-edge plots are nearly parallel. If you adjust the Normalization range in Shelly's data you will see the step appear again. However, if you set the E-shift to zero and reset Eo, pre-edge range, and normalization range (to your liking) you will see that the step is goes away. So the work around would be to subtract the E-shift from your Raw data, then import into Athena and do not use any E-shift. Bruce or Matt may have to comment, but it appears to me that the normalization/flatten routine may not be dealing with the E-shift appropriately. Dave -Original Message- From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of Kelly, Shelly D. Sent: Thursday, January 11, 2007 11:11 AM To: XAFS Analysis using Ifeffit Subject: RE: [Ifeffit] Projekt with the flatten-problem Hi Jens, I believe the problem is related to the structure in the data before E0. If you choose e0 to be at the beginning of the structure then the normalization is handled better by Athena. Take a look at the attached project file. The first data set with e0 on the edge as you would choose for EXAFS analysis (e1) shows the error that Jens reported. The second data set with a lower value for e0 at the beginning of the structure (e2) gets the job done. Cheers, Shelly --- Shelly Kelly Argonne National Laboratory Bldg 203, RM E113 9700 S. Cass Ave Argonne, IL 60439 Molecular Environmental Science Group www.mesg.anl.gov [EMAIL PROTECTED] phone: 630-252-7376 -Original Message- From: [EMAIL PROTECTED] [mailto:ifeffit- [EMAIL PROTECTED] On Behalf Of Jens Kruse Sent: Thursday, January 11, 2007 2:38 AM To: Athena mailing List Subject: [Ifeffit] Projekt with the flatten-problem Hi, find attached an example with the flatten-problem. thanks a lot, jens Hi, I have a normalization problem with Athena. If I turn on the flatten option in the background removal section, Athena creates in some of the normalized spectra a step in the pre-edge range. How can I get rid of it? Thanks, jens ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
