Choose specific reference spectrum

support
Choose specific reference spectrum gabe  2017-09-23 04:53
 
If I have several different reference spectra available for a given peptide, is there a way to specify a particular reference spectrum to use just for that peptide? I know how to switch between different spectral libraries, but that changes the library for the whole document. What I'd like to be able to do is specify a reference spectrum from library A for peptide 1, and from library B for peptide 2, etc. Is there a way to do this? Sometimes the options of 'picked intensity' or 'spectrum count' don't do a perfect job of choosing the best reference spectrum and I'm not sure how to get around this...

Thanks

Gabe

 
 
Brendan MacLean responded:  2017-09-23 15:37
Hi Gabe,
Yeah. We never implemented that. I had hoped the developer who implemented the Spectral Library Explorer (View > Spectral Libraries) might get to it, but it just never happened and hasn't made it to the top of our priority list since that time.

https://skyline.ms/issues/home/issues/details.view?issueId=9

The current implementation allows you to prioritize libraries by their ordering in the list you see in the Peptide Settings - Library tab, but there is no UI for manual assignment that goes against that priority order.

I assume you are casting your vote for our making the time to implement that more explicit assignment UI. I have reopened the issue to give it that opportunity.

Thanks for posting your feedback to the Skyline support board.

--Brendan
 
gabe responded:  2017-09-24 06:52
Thanks. This becomes an issue when building larger and larger spectral libraries. It gets pretty slow and unwieldy to create .blib files from search results from more than a few dozen large RAW files. Thus, we end-up using several different blib files. Changing the spectrum library priority or using the 'picked intensity' or 'spectral counts' features works OK, but it switches the spectra used for many of the peptides in the Skyline document. Being able to select a specific reference spectrum for an individual peptide would be very helpful. I'm basically planning to manually edit the .blib files I'm using to permit this in certain cases, but having a UI that permits this would be very useful and I suspect it would be widely used.

Thanks

Gabe
 
Brendan MacLean responded:  2017-09-24 11:29
Hi Gabe,
We are always interested in looking closer at performance issues, if you can share with us a case where you feel things get unreasonably slow. Improving that seems like a better path forward than resorting to manual selection, when fully automated methods get too slow.

Can you share with us a case that you feel has problematic performance?

Thanks for your feedback.

--Brendan