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DaveLangstaff
UK
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 Posted - 05/12/2006 : 11:59:05 AM
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Origin Version (Select Help-->About Origin): 7.5
Operating System:XP
Hi,
I have just started with Origin, so bear with me if this has already been done, but...
I have a data set representing how an XPS peak evolves during an experiment. At present it is held in a worksheet, with the first column representing time points and successive columns intensity values across a spectral bite of the data. I've worked out how to convert this to a matrix and draw a 3D plot showing how the peak evolves in intensity and position during the experiment.
What I would like to do next is perform a peak fit on each row in turn and record basic peak parameters (amplitude and position) into another worksheet, so I can create plots of how the peak moves and changes in amplitude during the experiment.
Is there an easy way of doing such a task or will I need to learn Labtalk or OriginC, or has anyone else solved a similar problem and care to share the code ?
regards
dave Langstaff |
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Mike Buess
USA
3037 Posts |
Posted - 05/12/2006 : 12:08:55 PM
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Hi Dave,
Try the MultiFit addon from the File Exchange...
http://www.originlab.com/fileexchange/details.aspx?fid=56
...MultiFit's mfseq function will fit all Y columns (not rows) in a worksheet so you'll need some pre-processing. The following LT script converts rows in your original worksheet to Y columns and adds an X column which is necessary for the mfseq function. The X column is given integer values but you can change them however you like.
%W=%H; // save wks name
wo -d; // duplicate
del col(1); // delete first column
menu -e 36466; // transpose
loop(i,1,%W!wks.maxrows) {
wks.col$(i).label$=%W!cell(i,1)$; // exp times to column labels
};
wks.labels(); // show labels
wo -i 0; // insert column in first position
wks.col1.type=4; // make it an X column
%(%H,1)=data(1,wks.maxrows); // give it integer values
Mike Buess
Origin WebRing Member
Edited by - Mike Buess on 05/12/2006 12:29:40 PM |
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DaveLangstaff
UK
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Posted - 05/15/2006 : 04:46:57 AM
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Thanks Mike that worked a treat,
I got the download installed and 'hand mangled' the data to get it to work. I'll have a go at labtalk to try and automate the process.
regards
dave L |
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Peak fit on many datasets