| T O P I C R E V I E W |
| a.abc.b35 |
Posted - 06/17/2011 : 1:09:31 PM
Origin Ver. and Service Release (Select Help-->About Origin): 8.5.1
Operating System:windows 7
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I want to know the following : Is it possible to fit gauss multi fit (2 or 4 peaks) to a series of datasets automatically and then save the multiple peaks' data in separate wks/wkb ? If Origin C code is the solution, that is more than welcome. But if there is a simplier solution, like saving the theme in peak analyzer or something...and then asking it to repeat the same for all the files in the folder, that will also help. By the way, I also want the graphs to be generated for each file as below: Graph1 : X vs Y_data. Fit 2 Gauss peaks to it. And get the graphs for the 2 gauss peaks also in red/ green line.
AB |
| 5 L A T E S T R E P L I E S (Newest First) |
| jateengandhi |
Posted - 06/28/2011 : 3:29:45 PM
Hello a.abc,
Selecting number of peaks less than the actual/possible peaks responsible for cumulative data fails the Multi-peak fit.
http://www.originlab.com/forum/topic.asp?TOPIC_ID=9526
Keep adding an extra peak until the curve fitting does not fail and that will be your final set of peaks and then you can choose to hide the ones that are insignificant to your analysis.
JG
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| easwar |
Posted - 06/20/2011 : 7:19:34 PM
Hi AB,
Are you trying to use Peak Analyzer with theme, or NLFit?
Does your peak data have overlapping peaks? The replica method in NLFit has multiple methods to find peaks. But it is possible based on your data that the auto parameter initialization may fail. It is much easier for us to see what is going on if you can either send your data to tech support (follow link on top right of the page) or at least post a picture of your data.
The Peak Analyzer peak fitting goal (in OriginPro) has better methods to find peaks, plus if the peak centers are known roughly, one can even pre-save the peak centers in the theme and start the fitting using those values, to circumvent any initialization problems.
Hard to see what is going on without having data to look at.
Easwar
OriginLab |
| a.abc.b35 |
Posted - 06/18/2011 : 1:12:56 PM
I followed this link :
http://qhwiki.originlab.com/~originla/howto/index.php?title=Tutorial:Batch_Processing for batch processing. It works fine if I fit a single peak (say one gauss peak) to my data. The problem arises when i try to do the same with multi peak (say 2 peak gauss fit). I think it has something to do with the replica feature !! This is what happens if i try to do even one dataset by enabling the auto feature and no. of replicas = 1:
The replica peaks parameters are not auto initialized !!!! So if you do anything which is auto (say hit the fit button inside nlfit dialog) the fit will not converge, it fails saying the parameters of replica 1 (i.e., 2nd peak is not initialised [infact that is true, they are not initalized, one has to initialize them manually, everytime, which is so irritating!!!!!]).And as it fails here, the batch processing for all the files also fails !!!!
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Can anyone shed some light to it ?
AB |
| a.abc.b35 |
Posted - 06/18/2011 : 08:45:41 AM
I can make them to have 2 peaks only ( i mean by partial import). But if anoyone could give some light on the batch processing it'll be very helpful. thanks for pointing me to the right direction, hideo.
AB |
| Hideo Fujii |
Posted - 06/17/2011 : 5:40:05 PM
Hi a.abc.b35,
As you indicated already, saving the Peak Analyzer theme, and applying batch peak analysis using the theme can do the batch processing for that. Have you tried it? It seems your data don't have the fixed number of peaks (2 to 4), you may have to find the best peak finding options to lead the successful processes. If some of your data failed to find some peaks, I suggest you to send your Origin file to our Tech Support department (tech@originlab.com) with detail settings and steps you have tried, mentioning this forum post. I guess that other issues may be able to be taken care by the post processing.
--Hideo Fujii
OriginLab |
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