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Feature request: include idotp when creating IMS library with Skyline

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Feature request: include idotp when creating IMS library with Skyline Juan C. Rojas E.  2023-09-19 05:39
 

Hi MS wizards,

I would like to request the addition of idotp as a metric that Skyline uses for deciding the correct center of the ion mobility window used for IMS-filtered EICs.

Attached is an example where the intensity maximization criteria (the only one used as far as I remember) leads to wrong selection of ion mobility values by co-eluting isobaric species. The wrong value was selected despite have identified the M+1 interference and marked it as non-quantitative.

Would it be possible to make Skyline to maximize both intensity and idotp (perhaps more weight on the idotp)?

As always, thank you for your time and help!
Sincerely,
Juan C.
 
 
Brian Pratt responded:  2023-09-22 13:17

Hi Juan,

Yes, we're looking at ways to make this more robust. The original intent of that feature was that it be used with not-very-complex samples to develop libraries for later use with interferences, but of course that's not how it gets used in practice - so we need to to be more clever about dealing with samples like this. This would be a great test case if you care to provide the data, thanks!

Best regards,
Brian Pratt
 
Juan C. Rojas E. responded:  2023-09-26 03:35

Hi Brian,

Awesome! I sent you an e-mail with links where you can download the document I showed and the associated raw data.

Let me know how else I can help to streamline this.

Sincerely,
Juan C.