Automation for peak picking for high sample number

support
Automation for peak picking for high sample number orsolya bilkei  2025-10-15 23:39
 

Hello,

I am writing to ask whether there is a plug-in or other option that enables more reliable automated peak picking in Skyline for large datasets.

In our workflows, Skyline frequently selects the highest-intensity peak, which is often incorrect. Even when I manually select the correct peak and apply it to all subsequent the alignment remains inaccurate for a substantial number of cases. This is particularly challenging in degradation assays, where we need Skyline to prioritize peak selection at the expected retention time—even when the signal is weak or largely background. At present, this does not appear to be feasible with the available settings.

If there are recommended approaches, plug-ins, or configuration strategies that would improve automated peak selection and retention time adherence at scale, I would greatly appreciate your guidance. Reviewing hundreds of samples across multiple peptides individually is highly time-consuming, and a more robust one-click solution would significantly improve efficiency.

Thank you for your assistance.

 
 
Nick Shulman responded:  2025-10-16 06:38
If you send us your Skyline document we could probably offer better advice.

In Skyline you can use the menu item:
File > Share
to create a .zip file containing your Skyline document and supporting files including extracted chromatograms.

Files which are less than 50MB can be attached to these support requests. You can always upload larger files here:
https://skyline.ms/files.url

We have been working on a new feature in Skyline-daily called "Peak boundary imputation". You can read about that feature here:
https://skyline.ms/wiki/home/software/Skyline/page.view?name=PeakImputation

This new feature has been helpful in some scenarios, and might help in your case.
-- Nick