Re: [Ifeffit] Running (D)Artemis yields different result from that shown in (D)Artemis instruction videos

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" 发送时间: 2012年10月23日 星期二 收件人: "XAFS Analysis using Ifeffit" 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@millenia.cars.aps.anl.gov wrote:

...

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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)

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Message: 1 Date: Sun, 21 Oct 2012 12:36:10 +0000 From: "Ravel, Bruce" To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Running (D)Artemis yields different result from

that shown in (D)Artemis instruction videos

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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@millenia.cars.aps.anl.gov [ifeffit-bounces@millenia.cars.aps.anl.gov] on behalf of Tsuei, Ku-Ding [tsuei@nsrrc.org.tw] Sent: Thursday, October 18, 2012 1:15 PM To:ifeffit@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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--

Bruce Ravel ------------------------------------ bravel@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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