Re: [Ifeffit] new release of my software

2009-07-01 Thread Frenkel, Anatoly
It is when you take a bug from a pot and then put it back in the pot. Anatoly From: ifeffit-boun...@millenia.cars.aps.anl.gov on behalf of Julie Olmsted Cross Sent: Wed 7/1/2009 4:47 PM To: Ravel, Bruce; XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] new r

Re: [Ifeffit] new release of my software

2009-07-01 Thread Julie Olmsted Cross
What is a "repoted" bug? On Jul 1, 2009, at 2:30 PM, Bruce Ravel wrote: > repoted ~^^~^~^~~^~^~^~^~^~^~^~^~~^~^~ Dr. Julie O. Cross User Technical Interface APS Engineering Support Division Argonne National Laboratory 9700 South Cass Ave., Bldg. 401/B4204 Argonne IL 60439-4801 tel: 630 252 059

[Ifeffit] new release of my software

2009-07-01 Thread Bruce Ravel
Hi everyone, Windows users should soon see that an update is available. This is a relatively small thing -- it contains a new build of Athena with fixes for several recently repoted bugs. As always, it should get installed sometime soon when you fire up one of the Ifeffit programs. For those w

[Ifeffit] RE : RE : problem with Athena's E0 !

2009-07-01 Thread Arezki, Bahia
Bruce, I think I was misunderstood, I have nothing against the capabilities of Athena, which I have chosen to use for my xanes processing/analysis and I am happy about that. In fact I only referred to the explanation in the Athena user's guide by telling that my case could be one of those fe

Re: [Ifeffit] RE : problem with Athena's E0 !

2009-07-01 Thread Bruce Ravel
On Wednesday 01 July 2009 10:08:25 am Arezki, Bahia wrote: > It seems that  ATHENA gives a  spurious value for  E0 (1728 eV for S36 > xanes)   due to a shoulder in the rising part of the white line which is > quite intense at  RT (s11) and decreases during the cooling of the sample. > So, for s36 x

[Ifeffit] RE : problem with Athena's E0 !

2009-07-01 Thread Arezki, Bahia
Hi Bruce and Darek, Bruce, thanks for the link, I am the only one here using xanes and athena , I learnt a lot from the Athena user's guide and the data I attached in my e-mail have been processed using the calibration and alignment dialogs and the procedure suggested. So, I was sure that th

Re: [Ifeffit] problem with Athena's E0 !

2009-07-01 Thread Bruce Ravel
>From the Athena User's Guide: http://cars9.uchicago.edu/~ravel/software/doc/Athena/html/params/e0.html B On Wednesday 01 July 2009 07:36:47 am you wrote: > Hi all, > > I am using Athena (version: 08.058) to study the changes in the XANES > profiles as a function of temperature of an organom

Re: [Ifeffit] problem with Athena's E0 !

2009-07-01 Thread Zajac, Dariusz A.
Hi Bahia I have opened your file and I see that everything is ok Fe:K edge, reference at 7112 eV and your samples s11 at 7122.8 s32 at 7127 as a maxi of 1st derivative (for s32 is the highest maximum, but I would take 7121.97 as E0) it seams that Fe in your samples is not metallic one... darek >--

[Ifeffit] RE : problem with Athena's E0 !

2009-07-01 Thread Arezki, Bahia
Jeremy, Thanks for your fast reply ! Actually I have used the data-calibrate tab to calibrate the reference channels. I will check the settings-preferences. thanks, Bahia - Dr. Bahia Arezki + UNIVERSITÄT SIEGEN FB

Re: [Ifeffit] problem with Athena's E0 !

2009-07-01 Thread Kropf, Arthur Jeremy
Athena attempts to find a reasonable Eo to make it faster for you to look at your data. After that, it is your responsibility to tell Athena what Eo value to use, and not the other way around. Some tools are provided to make it easier to choose consistent values, particularly in the data-calibrat

[Ifeffit] problem with Athena's E0 !

2009-07-01 Thread Arezki, Bahia
Hi all, I am using Athena (version: 08.058) to study the changes in the XANES profiles as a function of temperature of an organometallic compound containing Fe. I have a problem with the E0 value suggested by Athena : I noticed that it is not taking the same maximum in the first derivative. I