Define Annotation Aggregate Operation

Define Annotation Aggregate Operation philip remes  2023-05-03 15:36


I'd like to put columns into a transition report with the first and last raw time. I go to Settings/Document Settings and try to Define Annotation. Select Calculated, and for Applies to set Transitions, then set Precursor/Peptide/Transitions/Transition Results/Chromatogram/Raw Data/Raw Times. For Aggregate Operation, select Min. Now I go to a report, find this new annotation "Min Raw Time" and add to the report. It has all the Raw Times in each cell, in their comma delimited form, but I wanted to find just the minimum. If I go back to try to Edit this modification, the Aggregate operation has always switched to Count. Am I misconstruing how this operation should work? Perhaps the list of Raw times is an unparsed string and Skyline doesn't know what the minimum value would be?


philip remes responded:  2023-05-03 15:41

Actually, I think what it did was put a list of the minimum Raw Time for each of the transitions for a precursor into the cell, instead of giving the transition specific Min Raw Time. So it could just be a matter of me not knowing how to make the calculation be done at the appropriate level.

Nick Shulman responded:  2023-05-03 16:00
The primary purpose of Calculated annotations is to have a way to tell Skyline to store values which Skyline knows how to calculate in a place that Panorama is able to access them. This is a very useful feature if you are using AutoQC.

If you're only interested in seeing these values in Skyline, you probably want to use the Pivot Editor to create a Report with these values.
There is some documentation about how to use the Pivot Editor here:

Let me know if you think there's a bug in the way that Calculated Annotations are working. It might be helpful if you could send me a screenshot and your Skyline document.
-- Nick