Skyline to calculate LOD/LOQ from PRM data

support
Skyline to calculate LOD/LOQ from PRM data floriana  2025-11-03 03:43
 

Hi Skyline team,

We are using Skyline to analyze PRM data to build a peptide calibration curve and calculate LOD and LOQ. We spiked a constant amount of heavy into serially diluted light peptide. We also acquired two blanks in which only the heavy peptide is present at the same amount as the serially diluted samples. Our quantification settings are as follows: Regression fit = Linear in log scale, MS2 level, LOD = blank + 2SD, LOQ: Max LOQ bias = 20%, Max LOQ CV =20%. We are using the ratio to heavy from the Peptide Ratio report to build calibration curves in R and calculate LOD and LOQ using blank and regression methods. The LOD/LOQ values that we obtain with our script differ from those calculated by Skyline. Is there a document we can refer to that describes the steps Skyline uses to build peptide calibration curves and assess LOD/LOQ (is skyline using all fragments, are the fragments used always the same in different samples, are ratio L/H ratio calculated first for each transition and then summed, etc)? In case LOD are negative values what is the recommended approach? Many thanks for your support, Floriana

 
 
Nick Shulman responded:  2025-11-03 06:33
You can create a custom report in the Document Grid to see that values that get used in the calibration curve.
The values plotted on the Y-axis in the calibration curve are values in the "Normalized Area" column.
The values plotted on the X-axis are the concentrations that you have specified for each Replicate.
You can learn about the Document Grid and custom reports here:
https://skyline.ms/wiki/home/software/Skyline/page.view?name=tutorial_custom_reports

When you are editing your custom report there is a binoculars button on the toolbar at the top of the Customize Report dialog which will allow you to search for a column by name.

If you are looking at a calibration curve graph in Skyline you can right-click on the graph and choose "Copy Data" and paste that into something like Excel to see the numbers that Skyline is working with.

If you send me your Skyline document I could walk you through the calculations that Skyline is performing.
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
-- Nick