Hi,
The workflow I am trying to implement is, given a list of MS/MS peaks, can
I segment out the MS1 signal representing the peptide identified by that
MS/MS peak? (A single charge state representation is sought, meaning if the
same peptide is multiply charged, generating multiple MS/MS peaks, I just
want to map each MS/MS peak back to the single 3-d MS1 isotopic pattern
corresponding to it).
Right now I am doing the following:
1) Raw Data Methods->Raw Data Import. Open the mzML file.
2) Raw data methods-> Peak Detection->MS/MS Peak Builder.
3) Click on the first item under "Peak lists" in the right column. Peak
List Methods-> Peak Extender.
I have not yet been able to get the 3-d viewing working yet (separate
thread), but from the 2-d representation, I am expecting to see only a
single isotope in the 3-d representation.
How do I:
1) Extend the MS/MS peak to the whole MS1 3-d isotopic envelope it came
from and
2) Export those MS1 points
Many thanks!
-Rob
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