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 Peak Batch Proc. Theme produces different result		  New Topic  Reply to Topic
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megooden

USA
1 Posts
Posted - 06/11/2017 :  01:32:09 AM  Show Profile  Edit Topic  Reply with Quote  View user's IP address  Delete Topic
Origin Ver. and Service Release (Select Help-->About Origin): 2016
Operating System:Win 7

I have a spectrum that I have processed with the Peak Analyzer to fit several peaks, the results of which look good. I have saved this as a theme and attempted to apply it to several other spectra that I have using the batch peak processing. When I run the batch processor using the theme the fit statistics turn out quite poor, the measure I am most concerned with for this purpose is the reduced Chi-sq, which is in the 10^5 range. I save the peak analysis information for each data set so i can go to each and look at how the peak analyzer processed them. If I go to each data set and manually re-run the peak analyzer the results greatly improve.

I also applied the theme to the original data set that I used to create the theme and get different results and worse reduced chi-sq than if I just ran the peak analyzer. I.E. the batch processing is not producing the same results as simply going in and running the peak analyzer on each data set individually. I cannot figure out what is causing this.

I want to be able to run the batch processing on several hundred spectra but it will still be just as time consuming as using the peak analyzer if I must go into each dataset anyway.

Any ideas what could be the cause?

JacquelineHe

287 Posts
Posted - 06/12/2017 :  06:19:41 AM  Show Profile  Edit Reply  Reply with Quote  View user's IP address  Delete Reply
Hi,

Could you please tell us more detail about your question?

1. Could you show us the detail setting that you used in Peak Analyzer when saved the theme?

2. When you find the result is not good, and reopen the Peak Analyzer dialog manually, do you change any setting in the dialog? Or just re-open the dialog by “Change Parameter” option and click “Finish” button in the Peak Analyzer dialog?

3. According to your description, I am afraid we can not reproduce your question on our machine.
Could you mind to send us your files (with your Serial Number) so that we can try to reproduce and look into the problem? You can send us some dataset include the original dataset with the result, and other the datasets with poor result from “Batch Peak Analysis Using Theme” tool.

Our Tech Support department email: tech@originlab.com

Thanks
Jacqueline
OriginLab
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