Thanks a lot, Bruce. I checked your new version 0.9.13.1 on my computers and both yield good fits. Now I can move on to work on real data. Ku-Ding On 2012/10/23 下午 06:24, 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 (Bruce Ravel) 2. release 0.9.13.1 (Bruce Ravel) 3. DORIS III operation ended (Edmund Welter) 4. Re: DORIS III operation ended (Voegelin, Andreas)

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Message: 1 Date: Mon, 22 Oct 2012 16:12:43 -0400 From: Bruce Ravel To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Running (D)Artemis yields different result from that shown in (D)Artemis instruction videos Message-ID: <3508041.vaaWmxvES8@lachesis.bnl.gov> Content-Type: text/plain; charset="utf-8"

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 ?? 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

Message-ID: <47CED3CD722C2A439C0D1D1056B2132517C3B082@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@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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End of Ifeffit Digest, Vol 116, Issue 11 **************************************** .

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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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Message: 2 Date: Mon, 22 Oct 2012 16:20:16 -0400 From: Bruce Ravel To: XAFS Analysis using Ifeffit Subject: [Ifeffit] release 0.9.13.1 Message-ID: <2108483.PEeEN70mtK@lachesis.bnl.gov> Content-Type: text/plain; charset="us-ascii"

Hi,

As a result of a problem brought to my attention by Ku-Ding Tsuei, I built a new installer of my software for Windows. The new installer, release 0.9.13.1 can now be downloaded from

http://bruceravel.github.com/demeter/

This is an installer package. There is not a package for updating from 0.9.12. You must download and install the new installer package.

This new installer is essential for anyone using Artemis. As Ku-Ding discovered, versions 0.9.11 through 0.9.13 all suffer from the same problem. If you are using Artemis from any of the affected versions, you *must* upgrade.

I apologize for making three flawed releases of my software and I hope that no one has been too inconvenienced by my mistake. Once again, this mailing list and its most excellent community proves to be the best feature of our software!

As a bit of consolation, I want to direct your attention to the Artemis Users' Guide. I have put a lot of effort into it in recent weeks. It is still not complete, but it is much enhanced.

http://bruceravel.github.com/demeter/artug/index.html

Regards, B

--

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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Message: 3 Date: Tue, 23 Oct 2012 09:35:25 +0200 From: Edmund Welter To: XAFS Analysis using Ifeffit Subject: [Ifeffit] DORIS III operation ended Message-ID: <508648BD.3020804@desy.de> Content-Type: text/plain; charset="iso-8859-1"

Dear fellow XAFS user,

yesterday (October 22^nd 2012, 8 am) the DORIS III storage ring in Hamburg was switched of for good. That means our 3 EXAFS beamlines are left without photons and user operation at these beamlines had to end. In the next 2 years we will build 2 new EXAFS beamlines at the PETRA III storage ring that will hopefully equally well serve the demands of our large user community as the 3 closed beamlines did during the last 20+ years.

I know this mailing list is mainly about software and number crunching, but I thought the end of operation of a machine that produced so many beautiful numbers to be crunched with IFEFFIT/Athena/Artemis etc. might justify a short notice on this list.

Anyway, to close the circle to the software, the end of user operation of HASYLAB's DORIS beamlines finally gives our users the chance to use this software and produce many nice papers during the coming months (Ah,wait, that was something different, New York, July 1977 :-).

I am looking forward to see you all back at our PETRA extension beamlines in autumn 2014! Let me close this mail with the last line of data ever measured at the A1 EXAFS beamline:

7893.277 0 0 0 0 0 0 0 0 0 0 0 0 0 5.489 13.22

Best regards,

Edmund Welter

-- -------------------------------------------------------- Dr. Edmund Welter Deutsches Elektronen-Synchrotron DESY FS-Do

Notkestr. 85 Email: edmund.welter@desy.de D-22607 Hamburg Phone: +49 40 8998 4510 Germany Fax : +49 40 8998 2787 --------------------------------------------------------