Qualitative Ion ratio between fragments only?

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Qualitative Ion ratio between fragments only? meowcat  2023-11-01 03:10
 

Hi,

we are using Skyline on HRMS / PRM data. We want to quantify based on MS1 area of the precursor. Then, we would like to use the ratio between fragment 1 and fragment 2 as a "Qualitative ion ratio".

Right now, I only see the option to set feature as either "Quantitative" or not "quantitative", i.e. it is either in the numerator or in the denominator of the "Qualitative ion ratio". The "Qualitative ion ratio" is then calculated as the sum of "not quant" divided by sum of "quant". Unfortunately, this includes the precursor ion count. I would like to exclude the precursor completely from the "qualitative ion ratio" calc and get only f1 / f2.

Is there any trick to do this with the current version of Skyline? E.g. exclude MS1 data from "qualitative ion ratio" calculation, so we could set one fragment to quantitative and use the other one as "qualifier"?

 
 
meowcat responded:  2023-11-01 03:25

In the PR for qualitative ratio, https://github.com/ProteoWizard/pwiz/pull/1165 there was mention:

There were other things that were requested that I do not think we should do yet:

  • Ability to use something other than "Quantitative" to indicate which transitions go in the numerator vs. denominator for Ion Ratio

[...] If there is enough demand we could add these features in the future.

You can count me as "demand" here.

Though I don't have a good idea for convincing user experience here. I might prototype something in my fork.