To sum or not Sum ions in quantitation

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To sum or not Sum ions in quantitation dawn.r.dufield  2017-06-29 10:10
 
It appears that skyline sums transitions within a precursor for calculating concentration, accuracy and regression. However, it looks like if you click on the individual fragment ion, the area that is displayed is just from that ion. When you click on the precursor it shows total area of all transitions. Can skyline be modified so that if you are on the transition you see the regression, accuracy, etc for non-summed ions and if you click on the precursor, you get the summed ion? This would allow you to quickly assess if summing helps or not in your quantification method.

thanks
Dawn
 
 
dawn.r.dufield responded:  2017-08-17 13:59
I dont' remember seeing a response to this request??
 
Brendan MacLean responded:  2017-08-17 15:34
"Can skyline be modified so that if you are on the transition you see the regression, accuracy, etc for non-summed ions and if you click on the precursor, you get the summed ion?"

It could certainly be modified to support this, but it is not currently supported, and we can't give you a concrete time frame for when it might happen.

The most recent version of Skyline, however, does support a "Quantitative" property on every transition, which you can expose through the Document Grid. You could then toggle this property on any number of transitions under your precursor and see how your calibration curve changes.

And, of course, for as long as we have had quantification, it has been possible to just delete all of the transitions you want to and see how that changes quantification, and then use Undo to get them all back and do your next trial. You can also use Undo in connection with the Quantitative property as well. And redo to go back the other way.

The nice thing is that Skyline adapts immediately to show you the new state, and your actions can be undone.

Hope this helps. Sorry, we don't have exactly what you were hoping for.

--Brendan
 
dawn.r.dufield responded:  2017-08-17 17:50
Thanks but I'm not sure I completely understand your middle point?

The most recent version of Skyline, however, does support a "Quantitative" property on every transition, which you can expose through the Document Grid. You could then toggle this property on any number of transitions under your precursor and see how your calibration curve changes.

When you say toggle, do you mean add it to the document grid or is there a check box or turn on/off feature? Then would it show accuracy from the curve for each transition non-summed?

Thanks
Dawn