Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-07 Thread ZHAN Fei
Hi Matti, Thanks for your attention and patience. The back fourier transform of the specific peak (use window)of Chi(R) gives the amplitude,donated by amp_bft。As in previous mails,I ask whether the compare the amp_bft and the amplitude of specific Z number element can determine the Z.And

Re: [Ifeffit] Bug Report: Error while handling files in Athena in the latest version, Demeter 0.9.20_pre7

2014-07-07 Thread Chris Patridge
What system are working on? It might be system specific. Thanks Chris Sent from my iPhone On Jul 7, 2014, at 5:45 AM, Badari Rao badari@gmail.com wrote: Dear Sir, I am facing two problems while handling files in Athena. First of all, when I freshly open Athena and import a file,

Re: [Ifeffit] Bug Report: Error while handling files in Athena in the latest version, Demeter 0.9.20_pre7

2014-07-07 Thread Matt Newville
Send a file for which this happens (for each of these two almost certainly separate problems). --Matt ___ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit

Re: [Ifeffit] How to distinguish whether the coordination element is heavy or light

2014-07-07 Thread Matt Newville
Hi Zhan, On Mon, Jul 7, 2014 at 3:40 AM, ZHAN Fei zhan...@ihep.ac.cn wrote: Hi Matti, Thanks for your attention and patience. The back fourier transform of the specific peak (use window)of Chi(R) gives the amplitude,donated by amp_bft。As in previous mails,I ask whether the compare the

Re: [Ifeffit] Bug Report: Error while handling files in Athena in the latest version, Demeter 0.9.20_pre7

2014-07-07 Thread Bruce Ravel
On 07/07/2014 05:45 AM, Badari Rao wrote: First of all, when I freshly open Athena and import a file, it gives some kind of warning, which says can't locate Encoding/FixLatin/XS.pm in @NIC.. etc. I have attached a screenshot of the warning message. However, I could continue with my work without

Re: [Ifeffit] Demeter-devel MacPorts Athena issues work-around

2014-07-07 Thread Margaret Hinkle
Bruce, I understand that it is frustrating to try to help someone when you are given only part of the information needed to fully solve a problem. I'm sure it is an issue you deal with on a relatively regular basis. I do want to particularly thank you, though, for quickly fixing both of my

Re: [Ifeffit] How to distinguish whether the coordination

2014-07-07 Thread Michael Weir
Hi Matt and Zhan, I think this is the point where adding another approach would be very useful. In my limited experience, XAFS was much more powerful when combined with other techniques to eliminate potential models. We also needed to use our chemical sense. Is there a reason you would

Re: [Ifeffit] Multiple phases in samples

2014-07-07 Thread Scott Calvin
Hi Dien Li, Create a FEFF calculation and for each phase. Weight the SO2 of the paths for each calculation by the proportion of that phase that is present; that is often done with a guessed parameter. For example, Set SO2_U = 0.85 Guess frac_goethite = 0.3 Guess frac_organic = 0.3 Def

Re: [Ifeffit] How to distinguish whether the coordination

2014-07-07 Thread Matt Newville
Hi Michael, On Mon, Jul 7, 2014 at 10:49 AM, Michael Weir mgw...@udel.edu wrote: Hi Matt and Zhan, I think this is the point where adding another approach would be very useful. In my limited experience, XAFS was much more powerful when combined with other techniques to eliminate potential

Re: [Ifeffit] Demeter-devel Athena on OS 10.9.4

2014-07-07 Thread Margaret Hinkle
Dear Emmanuelle, Here is exactly what I did to set the Athena tip-of-the-day parameter to false. I hope this helps. 1. Open the file 'athena.demeter_conf' using Xcode or your text edit application. This should be the only file of that name on your computer, so you can find this either by

Re: [Ifeffit] Demeter-devel Athena on OS 10.9.4

2014-07-07 Thread Margaret Hinkle
Dear Emmanuelle, I just realized I gave one option to fix this -- not exactly the directions that Bruce gave for step 1. To fix it that way (perhaps the easiest way) do the following: 1. Open Terminal. You want to change your directory to where demeter.ini lives -- which as Bruce said, is in