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

2014-07-04 Thread Bruce Ravel
On 07/03/2014 06:54 PM, Margaret Hinkle wrote: Issue 1. With the new demeter-devel Macports download, Athena freezes upon opening. Opening up Athena via Terminal brought up perl5.16 -- I could see the GUI, the Tip of the Day, and the Athena startup box, but the system just froze. I had to force

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

2014-07-04 Thread Bruce Ravel
On 07/04/2014 03:51 AM, ZHAN Fei wrote: In the picture you recommended,it says The variations in functional form allow Z to be determined (±5or so) from analysis of the EXAFS.But I don't find any publication use it. Hi Zhanfei, The figure I referred you to was a plot of the scattering

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

2014-07-04 Thread Scott Calvin
Hi Zhanfei, A few more words to add to Bruce's answer on the +/- 5 rule. It refers to cases where the bond length is treated as a free parameter. There's a gradual change of phase shift due to scattering with Z which looks a bit like a change in bond length. So if you're fitting bond length,

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

2014-07-04 Thread Bruce Ravel
On 07/04/2014 09:27 AM, Scott Calvin wrote: But some people (Joe Woicik comes to mind) have pointed out that sometimes you do know what bond length would correspond to which Z. As an example, you might be trying to determine which of two possible known structures is found in a nanoparticulate

[Ifeffit] Athena crash report

2014-07-04 Thread George Sterbinsky
Hello, I am running Athena 0.9.20 on OSX 10.8.5. Selecting the difference spectra tool from the drop-down menu causes Athena to crash and the following message to print to the terminal. Usage: Wx::ComboBox::GetClientData(THIS, n) at

Re: [Ifeffit] Athena crash report

2014-07-04 Thread Bruce Ravel
I found this same problem last week. I am pretty confident it is fixed in the latest on GitHub. I'll ask Frank next week if he can update the -devel version. If you cannot wait, go to that file and to line 215 and change