Issue 198: Add the ability to incorporate spectral library retention times into scheduling RT prediction

issues
Status:closed
Assigned To:Guest
Type:Todo
Area:Skyline
Priority:3
Milestone:2.1
Opened:2012-09-24 by Brendan MacLean
Changed:2014-01-08 by Brendan MacLean
Resolved:2014-01-08 by Brendan MacLean
Resolution:Won't Fix
Closed:2014-01-08 by Brendan MacLean
2012-09-24 Brendan MacLean
Title»Add the ability to incorporate spectral library retention times into scheduling RT prediction
Assigned To»Brendan MacLean
Type»Todo
Area»Skyline
Priority»3
Milestone»2.1
Great feature suggestion from Christie Hunter and David Cox to incorporate spectral library retention times into scheduling RT prediction to avoid the need for MS1 filtering of DDA (IDA) data before running targeted MS/MS (MRMhr) or SRM (MRM).

The Peptide Settings - Prediction tab would change to something like:


Retention time predictor:
[ None | \/ ] [#]

[x] Use measured retention times when present

Time window:
[ 2 ] min


[x] Use spectral library retention times as last resort

Library time window:
[ 5 ] min

Then, when no measured peak times were present, the RT values in the spectral libraries would be used for scheduling. This is especially useful when the instrument running the DDA experiment and the targeted MS/MS experiment are the same. Then the spectral library scan times are nearly as good as peak apex times from extracted ion chromatograms, since the chromatography is fixed.

2014-01-08 Brendan MacLean
resolve as Won't Fix
Statusopen»resolved
Much lower priority now that the MS/MS IDs option in the Full-Scan tab works for using DDA IDs for DIA RT filtering. Can't see us getting to this for SRM only.

2014-01-08 Brendan MacLean
close
Statusresolved»closed
Assigned ToBrendan MacLean»Guest