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 Automatization of Fitting
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FloTor

29 Posts

Posted - 03/09/2012 :  12:29:35 PM  Show Profile  Edit Topic  Reply with Quote  View user's IP address  Delete Topic
Origin Ver. and Service Release (Select Help-->About Origin): 8.5.1
Operating System: Windows 7

Hi,

I have the following situation: Several sets of data with a couple of peaks which I want to fit with a single lorenzian. What I do at the moment: Select "single peak fit" and there I have to select the peakform and then select the data range (to cut out the other peaks). So what I am interested in: Some way to start the fitting procedure for a single lorentz fit by ONLY selecting the data range directly (that would save plenty of time).

A second question: Is it possible to create graphs out of workbooks in a fast way (like selecting the colums and klick a button) in a way that the graph has automatically the notebooks name?

Thank you very much!
Florian

Hideo Fujii

USA
1582 Posts

Posted - 03/09/2012 :  4:27:41 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hi Florian,

Let me try to answer the first part first...

I think if you have several datasets (each of which has several peaks, but you are only interested in on peak), you can prepare all datasets as multiple curves in a single layer for the easiest and most efficient approach to achieve what you envision. So, now you have one single-layer graph, which contains all plots. Now...

1) Make one plot (curve) active by selecting the dataset at the bottom of "Data" menu. (If many plots are too cluttered. double-click a plot to show Plot Details dialog, and in the left panel (under Layer1) you can turn OFF the check boxes of other plots to clean up visually.)

2) Press "Regional Data Selector" button in Tools toolbar for a while, and select the "Selection on Active Plot" flyout button.

3) Go to the active plot near your peak of your interest, and click-and-drag diagonally so that your peaks left end and the right end would be included. This makes the first peak region.

4) Go back to the "Data" menu, and choose the next plot to make it active. Do the steps of 2) and 3). Repeat until all plots are processed.

5) Choose "Analysis: Peaks&Baseline: Single Peak Fit" menu. Choose "Lorentz" function at "Function Selection" at left panel.
Choose "Data Selection" in the left panel, and observe all your peak regions are selected under "Input Data" branch.
Perform fitting as you usually have done.

About the regional data selector, you can see what it can do in the following page:
http://www.originlab.com/index.aspx?go=Products/Origin/DataAnalysis&pid=1044

I hope the above explanation is clear enough for you.

--Hideo Fujii
OriginLab

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FloTor

29 Posts

Posted - 03/19/2012 :  09:13:52 AM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Yes, that helps actually alot. Thank you very much!

So my next question about that is: How can I create a multiple data plot in one single layer in a very fast way? (Something like: select all workbooks and klick one button)
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Hideo Fujii

USA
1582 Posts

Posted - 03/19/2012 :  6:09:48 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hi,

If you are asking how to plot the same set of columns from many worksheets into a layer of a graph, you can use the Plot Setup dialog. In its top panel, you can select which worksheet, in the middle panel which columns, then you can add the plot accordingly to the layer of the graph.

I hope I didn't misunderstand what you meant.

--Hideo Fujii
OriginLab
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FloTor

29 Posts

Posted - 03/22/2012 :  10:03:15 AM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Yes that is what I meant. I found out a simliar way to do it, I just make one plot and then I add the remaining ones with the "layer contents" option.

I have an additional question: I measured one peak (supposed to be a Lorentz one) and figured out afterwards that my detector was slightly saturated. So the tip of the peak is just a line.
Is there a way to still fit this one? Something like fitting a single Lorentz over a data range where the "bad" part is missing? Would that work? And how can I do this?

Edit: I started a new topic about that http://www.originlab.com/forum/topic.asp?TOPIC_ID=10329

Edited by - FloTor on 03/22/2012 10:05:34 AM
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FloTor

29 Posts

Posted - 04/20/2012 :  3:57:30 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
This method worked very well, thank you again!

But now I want to fit two peaks per dataset. Would that work with the same method? (Select datarange in all graphs and do a multiple peak plot)
I tried it, but the multiple plot tool only accepts one dataset (though I used select datarange for all sets).
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Hideo Fujii

USA
1582 Posts

Posted - 04/23/2012 :  1:35:01 PM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hi FloTor,

Currently Multiple Peak Fit dpoesn't support more than one datasets for input. If your every curve has always two peaks, you can define a two-term Lorenzian function as a user defined function such as:

y = nlf_Lorentz(x,y0,xc1,w1,A1) + nlf_Lorentz(x,y0,xc2,w2,A2);

Such way to refer to a system function, you can try the following tutorial ("Help: Tutorials" menu):
Data Analysis> Curve Fitting> Nonlinear Fitting> 
    Quoting Built-in Functions in Your New Function

I hope this is helpful.

--Hideo Fujii
OriginLab
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