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Deconvolution of spectra

zjv
5-Regular Member
5-Regular Member

Deconvolution of spectra

Hello guys, I need help with deconvolution of experimental spectra (~400 of them) that contains two peaks - one is Lorentz and second is Breit-Wigner-Fano shaped. Files are attached. Can this be done in Mathcad? Any help is appreciated. Thanks
1 ACCEPTED SOLUTION

Accepted Solutions
Fred_Kohlhepp
23-Emerald I
(To:zjv)

This quick patch is far from perfect, but it gives you a place to start.

View solution in original post

4 REPLIES 4
Fred_Kohlhepp
23-Emerald I
(To:zjv)

If I understand, you want to execute this sheet for 400 different files.  You can do this in Mathcad, but it would be far easier in MatLab. 

You can write a program in Mathcad to combine your operations, this would take the raw file and return the array S:

program.PNG

You would need to write a second function to finish the task (or add to this one.)

 

Then an array of 400 file names, and a program that executes a loop that reads each file, calls the function above, and writes out a file with your results.

 

Not simple.

zjv
5-Regular Member
5-Regular Member
(To:Fred_Kohlhepp)

Thanks for the help. There is only one file that contains all 400 spectra. In a mathcad file FF is actually a matrix that contains one column of x values and 400 columns representing y values. So matrix FF actually contains all the data of 400 spectra (filtered and selected) that should be deconvoluted.
Fred_Kohlhepp
23-Emerald I
(To:zjv)

This quick patch is far from perfect, but it gives you a place to start.

zjv
5-Regular Member
5-Regular Member
(To:Fred_Kohlhepp)

Dear Mr. Kohlhepp, Thank you for your help. The deconvolution of the spectra can be performed better, but I as you already said, this is a very good starting point. Best, Zoran
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