Re: [Ifeffit] Some doubts about Artemis (Scott Calvin and Bruce Ravel)

Thank you Scott and Bruce for your answers. From now, I will always take a look to the mail archive before to do any question. I guess it should be annoying to have to answer the same everytime. Sorry for that. Related to my second doubt (the possible bug of Artemis), please find attach my work project in case you could take a brief look of this. Maybe the problem is in my computer, so don't waste too much time with this... Best regards, Miguel

Message: 3 Date: Mon, 05 Aug 2013 23:06:51 +0200 From: "Miguel A. =?utf-8?b?R8OzbWV6?=" To: ifeffit@millenia.cars.aps.anl.gov Subject: [Ifeffit] Some doubts about Artemis Message-ID: <20130805230651.Horde.tJbhajp6yHZSABPrpsjx4gA@webmail.csic.es> Content-Type: text/plain; charset=UTF-8; format=flowed; DelSp=Yes

Hi everyone,

I have two doubts about the use of the Artemis software:

1) Is it possible to use the coordination number of one path (N) as a variable? Because I tried to do it, but I am unable to write any letter in the path parameters set.

2) When I change the 'Fourier transform parameters' in order to perform a new fit, the "window range" (green line) in the plotting screen wont change the range (at least visually) and remains between the defaut values (r from 1 to 3 or k from 2 to 10). Is there any form to modify this?

Thank you in advance, Miguel ________________________________________________________________________________

Miguel Angel Gomez Gonzalez

PhD. Student Institute of Agricultural Sciences (ICA) Spanish National Research Council (CSIC)

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Message: 4 Date: Mon, 5 Aug 2013 17:25:22 -0400 From: Scott Calvin To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Some doubts about Artemis Message-ID: <7DAE38F1-36DF-47C8-83DB-6FC250D4C553@slc.edu> Content-Type: text/plain; charset="iso-8859-1"

Hi Miguel,

On Aug 5, 2013, at 5:06 PM, Miguel A. G?mez wrote:

...

1) Is it possible to use the coordination number of one path (N) as a variable? Because I tried to do it, but I am unable to write any letter in the path parameters set.

Because N only appears in the EXAFS equation as part of the product S02*N, coordination number can be fit by putting the variable in the S02 field. For example, the coordination number in the N box can be changed to 1, and the entry in the N field can be changed to S02*N, with N then made a "guess" variable. Of course, you can't sensibly fit every N and fit S02...something has to be set.

...

2) When I change the 'Fourier transform parameters' in order to perform a new fit, the "window range" (green line) in the plotting screen wont change the range (at least visually) and remains between the defaut values (r from 1 to 3 or k from 2 to 10). Is there any form to modify this?

Usually it changes the next time you plot. If it doesn't, you are experiencing a bug that is specific to your circumstances (hardware + OS + project). Those kinds of bugs are, unfortunately, difficult to track down.

--Scott Calvin Sarah Lawrence College

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Message: 5 Date: Mon, 05 Aug 2013 17:27:22 -0400 From: Bruce Ravel To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Some doubts about Artemis Message-ID: <520018BA.7020306@bnl.gov> Content-Type: text/plain; charset="iso-8859-1"; Format="flowed"

On 08/05/2013 05:06 PM, Miguel A. G?mez wrote:

...

Hi everyone,

I have two doubts about the use of the Artemis software:

1) Is it possible to use the coordination number of one path (N) as a variable? Because I tried to do it, but I am unable to write any letter in the path parameters set.

See http://www.mail-archive.com/ifeffit@millenia.cars.aps.anl.gov/msg03646.html and the responses that follow.

We've been answering questions on the mailing list for many years now. Searching through the archives is a really good use of time.

...

2) When I change the 'Fourier transform parameters' in order to perform a new fit, the "window range" (green line) in the plotting screen wont change the range (at least visually) and remains between the defaut values (r from 1 to 3 or k from 2 to 10). Is there any form to modify this?

As described, this is certainly not correct. Attached are two screen shots. For the first one, I imported a project file and immediately clicked the "Rk" button. I changed the values of kmax and Rmax, then clicked the "Rk" button again. The values were clearly updated correctly for the second plot.

Please see my post to the mailing list from only 30 hours ago (!!) about the difference between an actionable bug report and complaining into the wind:

http://millenia.cars.aps.anl.gov/pipermail/ifeffit/2013-August/011284.html

B

-- Bruce Ravel ------------------------------------ bravel@bnl.gov

National Institute of Standards and Technology Synchrotron Science Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973

Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel