Dear Bruce and Scott, I am a beginner of IFEFFIT, trying to follow Scott's example. In the ZnO DEMO PART 1, everything went well before doing the fit, however when I click the green button "Fit", I was told by the message: This parameter uses a name which has special meaning in Ifeffit: dr You must change this parameter name before attempting to fit. One common example of this sort is a variable named "dr1", which should be changed to something like "dr_1" or "drone". Could you or anyone direct me? I would appreciate that. Best regards, Feng
I could write on and on about this topic, but I think it would be fruitful for you to follow the example that Scott Calvin wrote up. Look at:
http://cars9.uchicago.edu/~ravel/software/contrib.html
And download the ZnO example. This consists of a series of Artemis project files. Scott wrote comments in the journals of each project to walk you through the process of using Artemis to fit real data. I think that it would be helpful to you to work through this example carefully. I suspect that doing so will help to clear up some of your confusion.
If, after working through Scott's example, you still have questions -- we on the mailing list will be glad to help you out.
B
On Wed, 9 Nov 2005, Feng Wang wrote:
Dear Bruce and Scott,
I am a beginner of IFEFFIT, trying to follow Scott's example. In the ZnO DEMO PART 1, everything went well before doing the fit, however when I click the green button "Fit", I was told by the message:
This parameter uses a name which has special meaning in Ifeffit: dr You must change this parameter name before attempting to fit. One common example of this sort is a variable named "dr1", which should be changed to something like "dr_1" or "drone".
Could you or anyone direct me? I would appreciate that.
Dear Feng: Click to the Interpretation tab and select "Guess, Def, Set" in the middle pane. YOu should see all the variables that are defined. My guess is that you have "dr" instead of something like "delr". Change the name to "delr" and then click on the individual paths and change any occurence of "dr" to "delr". If you are working on Scott's example for ZnO, I am not sure how you got "dr" as he uses "delr" in evrything as far as I recall. In fact, I just looked at the tutorial myself and if I follow all the instructions, I get the following variables in the "Guess, Def, Set" amp enot delr ss note that Scott's instructions are for an older version of Artemis and there is not menu entry for loading a FEFF calculation, instead you need to Open File, go into the FEFF subdirectory and select "feff.inp". Artemis is smart enough to know that this is a calculation and asks how many paths to import. hope this helps, Carlo -- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre
Hi Bruce, I sent you a newer version of this tutorial a few months ago...it doesn't appear to have been incorporated into the subsequent distributions. As far Marcos' original questions, the old tutorial should be fine, but the newer version does avoid some of the rigamarole Feng Wang just went through. :) If you need me to resend it (the first send was Aug. 18), let me know. --Scott Calvin Sarah Lawrence College At 11:52 PM 11/9/2005, you wrote:
On Wed, 9 Nov 2005, Feng Wang wrote:
Dear Bruce and Scott,
I am a beginner of IFEFFIT, trying to follow Scott's example.
On Thursday 10 November 2005 00:09, Scott Calvin wrote:
I sent you a newer version of this tutorial a few months ago...it doesn't appear to have been incorporated into the subsequent distributions. As far Marcos' original questions, the old tutorial should be fine, but the newer version does avoid some of the rigamarole Feng Wang just went through. :)
If you need me to resend it (the first send was Aug. 18), let me know.
Hey Scott, You did send me an update. It seems as though I have not been careful to see that the source distribution, the Windows installer, and the contributions web site all have the same version. It seems to me that the best thing would be for you to send me what you think is the proper, most up to date version and I'll make sure that everything gets properly updated. Sorry for any confusion this may have caused all of you out in ifeffit-land. Thanks, Scott, B -- Bruce Ravel ---------------------------------------------- bravel@anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
I put up a new installer for the latest revision of horae on sourceforge. As it uses the Apple installer it is a simple click and everything happens automatically-type installation. Note for those who have used the Apple installer in the past and then deleted the installed files (let's say in /Applications/Ifeffit) for some reason, the Apple installer will not realize that the files have been deleted (there is no uninstall feature yet). If you have done this, you should delete the record of the files having been installed by deleting the file "Ifeffit for Tiger" in /Library/Receipts before you install again (or else the installer will say there is nothing to install!). The installer is located in under the "Files" section, under "ifeffit" with the name Download ifeffit-1.2.8_Mac10.4.dmg The direct link is (http://prdownloads.sourceforge.net/ifeffit/ ifeffit-1.2.8_Mac10.4.dmg?download) Paul
On Wednesday 09 November 2005 22:52, Carlo Segre wrote:
Click to the Interpretation tab and select "Guess, Def, Set" in the middle pane. YOu should see all the variables that are defined. My guess is that you have "dr" instead of something like "delr". Change the name to "delr" and then click on the individual paths and change any occurence of "dr" to "delr".
Hi folks, It's even easier since the October 2005 release of Artemis. On the "Guess/Def/Set" page, there are all sorts of goodies in the menu that pops up when you right-click on a parameter. One of those goodies says "Change name of <parameter> globally". This will prompt you for a new name and change all instances of that parameter on the Guess/Def/Set page and on all path pages. In short, it automagically does all the tedious work that Carlo suggested. As for this message, which is also new in Artemis, perhaps I should explain in more detail. This parameter uses a name which has special meaning in Ifeffit: dr You must change this parameter name before attempting to fit. One common example of this sort is a variable named "dr1", which should be changed to something like "dr_1" or "drone". I had a bug report a couple of months ago about very confusing behavior for which hitting the big green button twice in a row would produce different results. Very weird. The problem turned out to be a parameter name collision. That is, one of the guessed parameter in that fit had the name of a word that has special meaning in Ifeffit. I was very confused by this behavior in that I had trouble understanding the exact conditions in which this problem was triggered. At the time, it seemed as though the most prudent solution was to disallow all of Ifeffit's reserved words as possible parameter names. So now, if you choose one of those words as a parameter name, Artemis will refuse to run the fit and insist that you change that parameter's name. Since I didn't want to make people do all the tedious work that Carlo described, I wrote the global change function. Upon re-reading that error message, I agree that it isn't very clear. Hopefully this email helps clear up the water. B -- Bruce Ravel ---------------------------------------------- bravel@anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advance Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/
On Thu, 10 Nov 2005, Bruce Ravel wrote:
It's even easier since the October 2005 release of Artemis. On the "Guess/Def/Set" page, there are all sorts of goodies in the menu that pops up when you right-click on a parameter. One of those goodies says "Change name of <parameter> globally". This will prompt you for a new name and change all instances of that parameter on the Guess/Def/Set page and on all path pages. In short, it automagically does all the tedious work that Carlo suggested.
very cool, I learn something new every day! Carlo -- Carlo U. Segre -- Professor of Physics Associate Dean for Special Projects, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 Carlo.Segre@iit.edu http://www.iit.edu/~segre
participants (5)
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Bruce Ravel -
Carlo Segre -
Feng Wang -
Paul Fons -
Scott Calvin