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 Multiple Lorentzian Peak Fitting of Repeat Data
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masona10

United Kingdom
2 Posts

Posted - 03/16/2020 :  12:55:35 PM  Show Profile  Edit Topic  Reply with Quote  View user's IP address  Delete Topic
Hi,

I am attempting to automate a process for fitting multiple lorentzian peaks on repeat data sets.

Currently I use the code nlfitpeaks func:=Lorentz, and manually select a rough Xc ect. However my data consists of around 1000 different repeat data sets all with peaks in almost identical places, with mild variation. What I would like to do is for the first data set, manually select the peaks, then automate a system that selects a peaks for the repeat data sets using the output Xc ect data from the first manual fit. I have attempted to use paMultiY using a theme, but this does not seem to select the correct peaks. Is there anyway to automate the nlfitpeaks function to eliminate manual peak selection, it doesnt seem to work with the nlbegin function. The key information I am after is the centre of the peaks and the variation thereof through the repeats. (Example data from a peak fit y0=99.64217, Xc=2.82012, w=0.03156, A=-0.03714, -0.74932)

Many Thanks
Andrew Mason

a.mason

YimingChen

1669 Posts

Posted - 03/18/2020 :  4:35:04 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hi Andrew,

Can you check the sample script in this page where you can set initial values of the parameters in nlbegin.
https://www.originlab.com/doc/LabTalk/Tutorials/Tutorial-Curve-Fitting-and-Batch-Processing-with-LT#Gaussian_Fitting_Complete_Example

James

Edited by - YimingChen on 03/18/2020 5:26:58 PM
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