Re: [Ifeffit] pre-edge centroid

2012-08-09 Thread Andrew Korinda
Enyuan, I've had trouble with fitting in Athena as well and just used Excel and a Gaussian function for the peak. As Domink stated, fitting the edge as an arctan function simultaneously is a large help. I had tried extracting the pre-edge and fitting the peak in Origin as a pseudo-Voight

Re: [Ifeffit] Ifeffit Digest, Vol 114, Issue 7

2012-08-09 Thread Andrew Korinda
...@millenia.cars.aps.anl.gov When replying, please edit your Subject line so it is more specific than Re: Contents of Ifeffit digest... Today's Topics: 1. Re: pre-edge centroid (Andrew Korinda) 2. Re: Ifeffit Digest, Vol 114, Issue 5 (Enyuan Hu) 3. Re: Ifeffit Digest, Vol 114

Re: [Ifeffit] Crash when Discarding Feff Calculation

2012-07-07 Thread Andrew Korinda
. Thanks, B On Saturday, July 07, 2012 04:06:52 PM Andrew Korinda wrote: I have an Arthemis project (started in Demeter) with several feff calculations with the input written by me into a feff.inp boiler plate. The calculations themselves were fine but now when I show a calculation and click

Re: [Ifeffit] Extracting raw values from ATHENA and ARTEMIS plots

2012-01-04 Thread Andrew Korinda
Tony, File - Save chi(k) and then choose your weight works in Athena. You can also save multiple data sets at once with Save Marked Groups As (one file with data group names in the header) or Save Each Marked Group As (each gets it's own file). Save Marked Groups As also gives you derivatives,

Re: [Ifeffit] Scripting - Python

2011-07-21 Thread Andrew Korinda
Seems you hit the nail on the head. I reinstalled everything and all appears to be working now. Thanks for all the help. Andy Korinda On Thu, Jul 14, 2011 at 10:08 PM, Andrew Korinda a-kori...@northwestern.edu wrote: Ya, I can go back and do that, just glad to have a viable lead. I'll get back

Re: [Ifeffit] Scripting - Python

2011-07-14 Thread Andrew Korinda
On Thu, Jul 14, 2011 at 9:58 AM, Andrew Korinda a-kori...@northwestern.edu wrote: Thanks Matt. That new binary was a great help. The install appears to have gone fine. I made the appropriate path changes in use_ifeffit.bat, ifeffit_config.py and ifeffit.py to reflect where I have installed

Re: [Ifeffit] Scripting - Python

2011-07-14 Thread Andrew Korinda
for the trouble, --Matt On Thu, Jul 14, 2011 at 9:43 PM, Andrew Korinda a-kori...@northwestern.edu wrote: So I went through and double checked the use_ifeffit, no change. I then entered the bin path directly and tried again, again with the same results. Following your code, I just have one

Re: [Ifeffit] Question about shift in E0

2011-06-07 Thread Andrew Korinda
Sorry Brandon, I see now everything I was asking for was I'm the first few emails. Enot is a local atomic shift in E0 as explained before. (sorry I'm not referencing, I only have my phone available this week) What I understand is you have set E0 to 27944 and 27950 then get Enot of -7 and -1

[Ifeffit] Purple Red E Derivatives

2011-02-22 Thread Andrew Korinda
While working in Athena today I noticed something peculiar while looking at the derivative plots of mu(E) data. When I plot the current group (red button) the plot can be spiky. However, when I plot as marked group (purple button) everything is much smoother and more rounded. Smoothed data will do

Re: [Ifeffit] Scripting - Python

2010-11-07 Thread Andrew Korinda
...@cars.uchicago.edu wrote: Hi Andrew, On Mon, Nov 1, 2010 at 12:01 PM, Andrew Korinda a-kori...@northwestern.edu wrote: I'm looking t... This is almost certainly due to space in the filename, and is really more of a problem with the fortran than python (or perl for that matter). That is, with a space

[Ifeffit] Scripting - Python

2010-11-01 Thread Andrew Korinda
I'm looking to introduce some scripting routines to some of my EXAFS fitting work. Looking around I ran across the Python module and downloaded that. The shell works fine, as does enter commands directly into Ifeffit, however I'm not getting the read and write commands to work from within Python