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

[Tsuei, Ku-Ding]

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:
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>     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
> ****************************************
> .
>