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 Multiple Gaussian Fitting
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caught

Taejon
1 Posts

Posted - 07/10/1999 :  7:59:00 PM  Show Profile  Edit Topic  Reply with Quote  View user's IP address  Delete Topic
I'm trying to carry out the deconvolution of one peak into two Gaussian peaks. When I execute the menu of multiple Gaussian fitting, the first window is the half-width estimate. After I choose the default estimate, I determine the x-positions of two peaks by double click. For example, I choose the positions of x=940 and 985. After carrying out fitting, the peak is deconvoluted into two Gaussian peaks nicely.
But, it has one serious problem for me. The positions of two deconvoluted peaks are somewhat different from the initial positions I determined. For example, the final positions are 937 and 990. I would like to let the initial position value remain constant. The deviation is not large but I don't want the initial value to change. How can I do? If you have a knowledge on this problem, I would like you to let me know. Thank you for reading.

------------------
Kyung-Mun Byun
E-mail: kmbyun@cais.kaist.ac.kr

rtoomey

USA
184 Posts

Posted - 07/12/1999 :  7:34:00 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply


Response to Multiple Gaussian Fitting


Kyung-Mun Byun,

When performing a multi-peak fit using Analysis:Fit Multi-peaks:Gaussian, the nonlinear curve fitter runs in the background. Since this is the case, you have manual control over whether a parameter is allowed to vary or remain fixed. To fix the two peak positions at 940 and 985, go through the following steps:

  1. Perform the fit as you normally would by selecting Analysis:Fit Multi-peaks:Gaussian and going through all the intermediate dialog boxes.
  2. Return to the graph window once the fit has taken place and select Analysis:Nonlinear Curve Fit. This should automatically bring you to the Fitting Session dialog box.
  3. Scroll down through the list of parameters and enter 940 and 985 into the xc1 and xc2 Value text boxes. While doing so, deselect (uncheck) the Vary? check box next to xc1 and xc2. This fixes the two center positions.
  4. Click the 10 Iter. button to perform additional iterations using your center positions.
  5. When you are satisfied with the fit, click the Done button.

I hope that this information proves helpful.

Sincerely,
Ryan Toomey



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yangson

Singapore
3 Posts

Posted - 07/05/2002 :  04:13:38 AM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Unfortrunatly, when I follow the sets to Non Linear Fit, only one xc1 available to vary. How to get the dialogue for multi-peak Guassian fitting out? Thank you very much!

Richard Yang
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easwar

USA
1964 Posts

Posted - 07/05/2002 :  09:07:32 AM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hi Richard,

If you follow Ryan's instructions and bring up the NLSF tool after performing the multipeak fit from the menu, you should see parameters for both peaks in the Fit Sessions page of the fitter (the fitter comes up with this page). You will need to scroll down to see the parameters and the Vary check box etc. of the second peak.

Easwar
OriginLab.
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elisepost

Canada
5 Posts

Posted - 07/19/2002 :  3:45:55 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Statistical tests with error values from gaussian fits.

I have no problem with the multiple fit in 7.0 (works better than in 6.1). However, can you explain what the error values reflect for the three parameters in each Gaussian (mean, amplitude, width). Thus, in a recent gaussian fit I may get xc1 = 13.6 +/- 0.2. Is the +/- value the standard error of the peak estimate? If so, can I use it to test if this mean is significantly different from a similar fit to a second data set. If it can be used then what are the degrees of freedom for the lookup tables and how are these affected if I do multiple gaussians on a single data set?

Thanks
Elise
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rtoomey

USA
184 Posts

Posted - 07/23/2002 :  12:43:10 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Please find the continuation of this post here.

quote:

Statistical tests with error values from gaussian fits.

I have no problem with the multiple fit in 7.0 (works better than in 6.1). However, can you explain what the error values reflect for the three parameters in each Gaussian (mean, amplitude, width). Thus, in a recent gaussian fit I may get xc1 = 13.6 +/- 0.2. Is the +/- value the standard error of the peak estimate? If so, can I use it to test if this mean is significantly different from a similar fit to a second data set. If it can be used then what are the degrees of freedom for the lookup tables and how are these affected if I do multiple gaussians on a single data set?

Thanks
Elise



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