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T O P I C    R E V I E W
peterh1 Posted - 08/21/2008 : 6:31:35 PM
HI

I need some automated fitting procedure

I have diffraction data. Each spectrum has ~10 peaks.
I would like to automated find these peaks and perform a guassian fit on them. Also i need the paramters like area, peak location, etc,...
and the data should eb exported in a new worksheet preferential in a table

Now i have ~100 of these spectrums and i would like to do this on all of them automated.
is there somehow a way of doing this?
I probably would save me several days of work if there is an automated version

thanks a lot

Peter
4   L A T E S T    R E P L I E S    (Newest First)
minimax Posted - 08/28/2008 : 10:23:52 PM
SR3 is released today. Update to the lateset version would be proposed:
http://www.originlab.com/index.aspx?s=9&lm=333

Max
OriginLab Technical Support
Shirley_GZ Posted - 08/24/2008 : 10:37:36 PM
Hi Peter,

Origin 8.0 SR1 doesn't have the Peak Analyzer tool. Please open our homepage to update your Origin to SR2.
http://www.originlab.com/index.aspx?s=9&lm=327

Then this method will work fine.

Any problem, please contact with us!

Shirley Tian

Originlab Technical Service Team
peterh1 Posted - 08/22/2008 : 11:04:52 AM
Hi Shirley

Thanks for your fast answer.
i use origin pro 8 SR1

I think my Origin does not hav the peak Peak Analyzer help you talked about. I can only find the
It has the Analysis>spectroscopy> Baseline and peaks.
is this the right one to use?

origin identifyes my peaks now correctly in one graph using this tool. but only on one spectrum.
Now i typed into the comand box the code you send me.
but so far nothing happend when i typed that in.
Where do i say "o.k. do this code"?
or what else do i have to do.

thnaks so much

best regards

peter




quote:
Originally posted by Shirley_GZ

Hi peter,

would you please tell me which version of Origin you are using when you contact us with problem?

I suppose that you are using Origin 8.0 sr2 and your data can be imported into an Origin worksheet named Book1(you can define it's name as you need, and remember to change the corresponding name in the below script). There are only one X column and multiple Y column(maybe 100).

First, you must define a Peak Analyzer theme according to the Help page(Help: Origin> Peak Analyzer> The Peak Analyzer Themes). This theme will save all your settings about finding the peaks and fitting.

Then you can type the following script in the command window:

loop(ii,2,101)
{
win -a Book1;
page.active=1;
pa iy:=wcol(ii) smode:=1 theme:=myfitting;
}

The fitting procedure can be finished automatically.

But I think this will take a very long time because of the big data. So please divide the data into several parts before you do this if possible.

Shirley Tian

Originlab Technical Service Team

Shirley_GZ Posted - 08/22/2008 : 03:15:48 AM
Hi peter,

would you please tell me which version of Origin you are using when you contact us with problem?

I suppose that you are using Origin 8.0 sr2 and your data can be imported into an Origin worksheet named Book1(you can define it's name as you need, and remember to change the corresponding name in the below script). There are only one X column and multiple Y column(maybe 100).

First, you must define a Peak Analyzer theme named "myfitting" according to the Help page(Help: Origin> Peak Analyzer> The Peak Analyzer Themes). This theme will save all your settings about finding the peaks and fitting.

Then you can type the following script in the command window:

loop(ii,2,101)
{
win -a Book1;
page.active=1;
pa iy:=wcol(ii) smode:=1 theme:=myfitting;
}

The fitting procedure can be finished automatically.

But I think this will take a very long time because of the big data. So please divide the data into several parts before you do this if possible.

Shirley Tian

Originlab Technical Service Team

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