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Manipulating mass spectra in an Intelligent Report

Question asked by chrisjg on Aug 22, 2019
Latest reply on Aug 27, 2019 by ryoboyle

Hello,

 

I'm using Openlab CDS Chemstation edition C.01.07 SR1.

 

I have an LC method where multiple components co-elute with the main peak, and I'm using a 61xx SQ to extract EICs for the co-eluting components that can be integrated in order to quantify these components.  The end result is that I will have maybe 10-15 EIC signals, all with a single integrated peak at approximately the same RT, with each EIC representing a different component.

 

I've created a report that displays the TIC and all EICs, and I've also got a single peak table for peak area in all EICs.

 

I also need to show the mass spectra as part of the report to provide evidence that all necessary signals have been extracted, but I'm struggling to get the spectra to display as I'd like.

 

  1. Which signal is the spectra taken from?  TIC?
  2. The MS spectra plot item is giving me three separate spectra and I'm not sure why.  When I preview the report I only see something for the first 2 (Comp A and Comp B), and nothing for the 3rd (Peak #1).  I only want a single spectra, averaged across the entire peak width.  (NB - I'm currently not integrating the TIC, but I guess this is a mistake if I want to use spectra?)
  3. The spectra that I am getting are histograms.  My spectral signals are quite wide so I want a continuous view (ideally in black, not blue!!).
  4. In the processing method I have it set up to perform some gaussian spectral smoothing, and I've also tweaked the ion labelling settings so that all the masses I want to see are labelled.  Can I apply all of these settings from the processing method to the spectrum that's shown in the report?

 

Hopefully this is all clear.  Thanks in advance for any help anyone can offer!!

 

Chris

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