Is there a way to export the area of all integrated peaks from around 500 different EIC's without manually going through all 500 samples and copying from the "integration peak list"

Hello!

I'm trying to compare the ratios of 3 compounds in around 500 different samples.

So far I've extracted appropriate EIC's for all samples and run integration.

Now I'm suddenly stuck, as it seems to me that the only way to extract the ratios to excel is to copy the integrated areas one sample at a time from the integration peak list.

This would take hours!

Is there a better way?

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  • Will try to make that method work!

    Seems like a nice solution

  • Hi ,

    I just wanted to follow-up to see if your question has been answered. If so, please come back to the post and click Verify Answer on the best response so it will make the solution more visible.  If you still need help, just let us know and we would be happy to continue working with you.

  • Hello,

    3 years later and I still have this question for Masshunter Qualitative Analysis. I want to all at once export all the integration peak lists for hundreds of samples (with RT, Area Sum %, Area, see below, and if possible RI and Best MS match compound. Currently, my Integration Peak List does not show RI and Best MS match compound, they are both blank columns, and I would separately love an answer to how to include these in the Integration Peak List.) The Export to CSV and Export All Chromatograms to CSV under the Actions header do not work for me. Is there a workflow tutorial to do the following actions:

    Integrate Peak, Extract Spectra, Calculate RI, Match Spectra to Libraries, Export to CSV Integration Peak List? Thank you!

  • In Qual 10.0 with GCMS single quad data.

  • Hello  ,

    In qual it is not easy to combine the compound results, which contain the compound name and RI, along with the peak list results, which contains the Area Sum Percent. The closest you can get in qual is the compound summary CSV export option which will contain all of the information except for the Area Sum Percent.

    If the Area Sum Percent is essential, then your best option would be to use Unknowns Analysis to process your data. From UA you can report everything you mention with the shipping AreaPercent Report Builder template except for RI. Adding RI to the report would be a very minor edit. UA does not offer manual integration and you can only use the Agile or Agile2 integrator, but if that is acceptable for you workflow then it is probalby the best option. 

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