Define Annotation Aggregate Operation

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

Hello,

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?

Thanks
Philip

 
 
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:
https://skyline.ms/wiki/home/software/Skyline/page.view?name=PivotEditor

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