Extracted ions in report and Processing method

Hi,

I'm trying to create a report template which shows me the extracted ions (LCMS) which I have manually extracted from the TIC using the 'extract chromatograms' feature.

I cant seem to remember how I did it years ago and the only report item I can find (MS EIC from TIC peak) only extracts the integrated MS peaks (which I obviously do not want in this case).

Playing with filters doesnt help (probably not using the right commands). I'm using openlabs 2.8. 

So how can I get the manually extracted peaks into  the report?

Second question: Can I make the processing method (PM) extract ions I'm looking for to do the extraction automatically? 

I know for UV you can extract multiple wavelengths in the extraction table in the PM, but I cant find it in the MS part.

Thanks!

  • You can create the extracted ion signals in one file and then save them to the method through Signal Details where you can add the specific signals.  If I recall right, you also need to ensure the signals are set to be loaded using the signal details through the Preferences dialog window.  You can then reprocess your data with this method.  The new signals should show up in most standard reports.

  • Hello,

    In Openlab CDS you cannot setup extracted ions as you can with UV data. The only way to auto extract EICs is to have compounds in your peak table. In this case, the quant and qualifier EICs channels will be extracted when you process with that method. In CDS 2.8 we did add the ability to report manually extracted spectra, but you do need to have that active in your report template and snippets. If you search, Report manually extracted spectra not associated with any peak, in the help you can find instructions on that process.  

    Marty

  • The thing is, like I explained, I did it before in one of the first versions of openlab 2. It is possible but I unfortunately forgot how to set the filtering, which commands and which snippets I used years ago (now work somewhere else so I dont have that template anymore to check it). I also dont understand what I need to do after activation of reporting manual extracted spectra in the 2.8 version. The manual is not sufficient enough for that, or I just dont get it (not a noob though...). Or I get EVERYTHING, including the automated extractions from the peaks that were integrated, but I just want to have the ones from the ions I've extracted (the TIC, not the EIC). 

  • Hello,

    I guess I am not fully understanding the request. Your question talks about "extracted ions (LCMS) which I have manually extracted from the TIC using the 'extract chromatograms'", I was thinking since you said ions about this being spectra but perhaps you are looking for the EIC chromatogram of the peak. Can you provide more detail about the request?

    Marty

  • Hi Martin, 

    I'm sorry if I wasnt clear, I notice now that I'm using extracted ions but I meant extracted chromatograms, which are the result from ion extractions from this below

    Below the results of the extractions, green one is the TIC.

    I extract multiple m/z which I need to search for, and would like to report them in an overview, to have it in a report template, but somehow I cant find either the right filter settings (Signal_name contains "*EIC*" does not work) and/or the right report item anymore. Its frustrating because I know I made a template like this about five years ago. I hope you can help me. 

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