[Ifeffit] Running (D)Artemis yields different result from that shown in (D)Artemis instruction videos
wangshaofeng at iae.ac.cn
wangshaofeng at iae.ac.cn
Tue Oct 23 19:52:49 CDT 2012
Dr. Ravel,
I am a beginner for xafs analysis. I installed the Demeter on my laptop. I found there was always a black command widow when I start athena or artermis. If I close that window, the program was also closed. My operation system is windows 7. Why?
Shaofeng
> -----原始邮件-----
> 发件人: "Bruce Ravel" <bravel at bnl.gov>
> 发送时间: 2012年10月23日 星期二
> 收件人: "XAFS Analysis using Ifeffit" <ifeffit at millenia.cars.aps.anl.gov>
> 抄送:
> 主题: Re: [Ifeffit] Running (D)Artemis yields different result from that shown in (D)Artemis instruction videos
>
>
> OK, you've convinced me.
>
> When I got into the lab this afternoon, I tried the same fit on a
> Windows computer. Much to my surprise, the result on Windows was
> quite different from the result on my linux computers at home.
>
> After a few hours of investigation, I found a problem in how Ifeffit
> had been compiled on the Windows machine that I use to build the
> Windows installer.
>
> I was able to come up with a short-term solution and then built a new
> installer package for 0.9.13 which i think works correctly.
>
> I will be announcing a new release shortly.
>
> B
>
>
>
> On Monday, October 22, 2012 06:41:26 AM Tsuei, Ku-Ding wrote:
> > Bruce,
> >
> > Perhaps you noticed the "Fit color" was red (large R-factor 0.074496,
> > poor fit, also seen in the attached figure in the last email) when you
> > loaded in the project file I sent you. When you hit Fit button again the
> > "Fit color" might turn to green indicating good fit as shown in your
> > result of a much smaller R-factor (0.004265).
> >
> > I did the following test on various versions of Demeter on my desktop
> > and notebook computers both installed with Windows 7 SP1. Of course I
> > uninstalled one version first before installing another. I tried to use
> > Uninstall within the Program menu or use the Program manager. I tried to
> > reboot or not to reboot after uninstallation or installation. Neither
> > shows any difference.
> >
> > Fit color
> > 0.9.10 green
> > 0.9.11 red
> > 0.9.12 red
> > 0.9.13 red
> >
> > Only version 0.9.10 yields good fit. The latter versions would not give
> > good fits even with repeated hitting the "Fit" button. I have no idea
> > what causes these results but perhaps this observation provides a clue.
> >
> > Ku-Ding
> >
> > On 2012/10/22 上午 01:00, ifeffit-request at millenia.cars.aps.anl.gov wrote:
> > > Send Ifeffit mailing list submissions to
> > >
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> > > Today's Topics:
> > > 1. Re: Running (D)Artemis yields different result from that
> > >
> > > shown in (D)Artemis instruction videos (Ravel, Bruce)
> > >
> > > ----------------------------------------------------------------------
> > >
> > > Message: 1
> > > Date: Sun, 21 Oct 2012 12:36:10 +0000
> > > From: "Ravel, Bruce"<bravel at bnl.gov>
> > > To: XAFS Analysis using Ifeffit<ifeffit at millenia.cars.aps.anl.gov>
> > > Subject: Re: [Ifeffit] Running (D)Artemis yields different result from
> > >
> > > that shown in (D)Artemis instruction videos
> > >
> > > Message-ID:
> > > <47CED3CD722C2A439C0D1D1056B2132517C3B082 at EX10-MB1.BNL.GOV>
> > >
> > > Content-Type: text/plain; charset="us-ascii"
> > >
> > >
> > > Ku-Ding,
> > >
> > > I don't know what to tell you. On the computer I am sitting in front of
> > > right now, I opened your two project files and hit the fit buttons, I get
> > > the same fit with only numerical differences. Here I am cutting and
> > > pasting from the two log files:>
> > > old artemis:
> > > Chi-square = 4334.684537717
> > > Reduced Chi-square = 691.819976095
> > > R-factor = 0.004250325
> > >
> > > amp = 0.8649100 +/- 0.0412220 (1.0000)
> > > enot = 5.6049380 +/- 0.2950270 (0.0000)
> > > delr = -0.0226780 +/- 0.0023790 (0.0000)
> > > ss = 0.0082230 +/- 0.0003250 (0.0030)
> > >
> > > new artemis:
> > > Chi-square : 4348.7359268
> > > Reduced chi-square : 694.0625918
> > > R-factor : 0.0042652
> > >
> > > amp = 0.86526150 # +/- 0.04129645 [1.00000]
> > > enot = 5.61081742 # +/- 0.29527844 [0]
> > > delr = -0.02266589 # +/- 0.00238341 [0]
> > > ss = 0.00822546 # +/- 0.00032571 [0.00300]
> > >
> > > I don't acknowledge that there is a problem.
> > >
> > > B
> > >
> > >
> > > ________________________________________
> > > From:ifeffit-bounces at millenia.cars.aps.anl.gov
> > > [ifeffit-bounces at millenia.cars.aps.anl.gov] on behalf of Tsuei, Ku-Ding
> > > [tsuei at nsrrc.org.tw] Sent: Thursday, October 18, 2012 1:15 PM
> > > To:ifeffit at millenia.cars.aps.anl.gov
> > > Subject: [Ifeffit] Running (D)Artemis yields different result from that
> > > shown in (D)Artemis instruction videos
> > >
> > > Hi Bruce,
> > >
> > > I went through your (D)Artemis instruction videos and ran the latest
> > > Demetris 0.9.12 with 0.9.13 update side by side to reproduce the
> > > results. However, my running yields much poorer fitting results on Au
> > > foil EXAFS, even the first shell (video 03). Actually it happened using
> > > the older 0.9.11 too. I also went through your Lecture videos shot at
> > > Diamond and ran (D)Artemis but could reproduce your results closely. I
> > > have felt puzzled for quite a while why the simplest case Au foil does
> > > work well. Today I tried to run the same Au data and fitting by the old,
> > > last version of Artemis 0.8.014. I could produce very good fitting on
> > > the first shell with the R-factor very near that shown in the video. I
> > > made sure the math expressions for the fitting parameters amp, enot,
> > > delr and ss are set exactly the same, with fitting range exactly the
> > > same, in both programs. Their screen outputs file is attached. The saved
> > > respective project files are also attached. I copied the fit outputs
> > > into their journals. I would appreciate if you may review these results
> > > and help clear my puzzle.
> > >
> > > Best regards,
> > >
> > > Ku-Ding
> > >
> > >
> > >
> > > ------------------------------
> > >
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> > >
> > >
> > > End of Ifeffit Digest, Vol 116, Issue 11
> > > ****************************************
> > > .
> >
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>
> --
>
> Bruce Ravel ------------------------------------ bravel at bnl.gov
>
> National Institute of Standards and Technology
> Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2
> Building 535A
> Upton NY, 11973
>
> Homepage: http://xafs.org/BruceRavel
> Software: https://github.com/bruceravel
>
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