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leosdo
Denmark
5 Posts |
 Posted - 08/04/2021 : 10:35:32 AM
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Origin Ver. and Service Release (Select Help-->About Origin):
Operating System: OriginPro 2021 (64-bit) 9.8.0.200 (Academic), Windows 10
Hello,
I'm facing some issues related to batch peak fitting using large datasets.
I can simulate FWHM, integrated intensity and so on.
However, the peak position never changes, and it does not make physical sense. Therefore, i can see the software forcing both FWHM and Intensity to change, but the positions are always constant.
So, how can i solve this issue?
Thanks.
Leosdo |
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snowli
USA
1386 Posts |
Posted - 08/04/2021 : 11:40:33 AM
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Are you using Analysis: Peaks and Baseline: Batch Peak Analysis Using Theme?
If so, could you check the theme file you used? Maybe the Peak position related parameter is set to be fixed.
Thanks, Snow |
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leosdo
Denmark
5 Posts |
Posted - 08/04/2021 : 11:50:02 AM
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HI Show,
i created the theme using the peak analyzer.
There are two peaks, but i didn't fixed their positions.
Do you have another solution?
Thanks, LEOSDO.
Leosdo |
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snowli
USA
1386 Posts |
Posted - 08/04/2021 : 2:40:28 PM
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Hi Leosdo,
It's hard to tell what's wrong. Do you mind sending project file and the theme file (under User Files\Themes\AnalysisAndReportTable\ folder so i can try it?
Thanks, Snow |
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leosdo
Denmark
5 Posts |
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snowli
USA
1386 Posts |
Posted - 08/05/2021 : 11:36:39 AM
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Hi Leosdo,
Thanks for sharing with the files I can reproduce the issue now.
I will ask our developers to check since i saw when i open PA and load them theme, go to Fit peaks page. Click Fit Control and do iterations, it can give different result than Batch PA result.
We are busy with beta release now so we may reply you tomorrow on this.
Thanks, Snow |
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YimingChen
1609 Posts |
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leosdo
Denmark
5 Posts |
Posted - 08/05/2021 : 1:14:01 PM
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Hi James,
i tried your new theme, but i did not work out as expected too.
The results are attached.
Leosdo. |
Edited by - leosdo on 08/05/2021 1:25:05 PM |
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YimingChen
1609 Posts |
Posted - 08/05/2021 : 4:39:12 PM
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Is it possible to fix some of the parameters to relax the collinearity between parameters. It looks to me that not all parameters get tuned as the fitting converges to the local minimum easily.
James |
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leosdo
Denmark
5 Posts |
Posted - 08/05/2021 : 6:17:02 PM
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Hi James,
fixing parameters will not have physical meaning for my experiment.
There's something else i can try?
I made new upper and lower bounds, but the results are getting a bit worst.
Leosdo |
Edited by - leosdo on 08/05/2021 6:22:47 PM |
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snowli
USA
1386 Posts |
Posted - 08/06/2021 : 2:04:13 PM
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Hi Leosdo,
We checked with another colleague.
By default, we have a system variable @PFFC=3, so when doing peak analysis, it fix the peak parameter for 1st 20 iterations. It happens that for your data, 21 iterations or so will meet the tolerance so many values are the same.
Could you change the system variable value to 0?
E.g. Choose Preferences: System Variables
Enter system variable PFFC. Set the value to be 0.
Then using your PV theme to do batch processing again.
The peak positions will be different.
Let me know if it works now.
Thanks, Snow |
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Topic |
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Batch peak analysis is not changing peak position