Opened 2 years ago

Last modified 22 months ago

#1074 review defect (fixed)

Problem with annotation of MS3 data

Reported by: dbrentw Owned by: dbrentw
Priority: normal Milestone: GRITS - 1.2 SR3
Component: GRITS core Version: GRITS 1.2.x
Severity: major Keywords:
Cc:

Description

Open demo workspace. Open annotation "C.GELATO..". Traverse to Structure Annotation tab and double-click scan #8. On resulting MS2 view, click Details View tab. Use Next/Prev arrows to view parent structure GOG48. Sort middle table by Scan # and you should see 2 fragments w/ m/z 486.3358 with an MS3 sub-scan #9. Double-click one of the rows for scan #9. In resulting Details view, there should only be 2 fragments as parent structures (not 15) and the Summary view should have 2 fragments as parent structures. Plus, the candidate fragments in the Summary view are duplicated. Looking at 9.xml in the archive, the same fragment is written multiple times, so the correct data is not available to display anyway. So it appears both the MS Glycan Annotation display of MS3 AND the GELATO annotation of MS3 data is incorrect.

Change History (5)

comment:1 Changed 2 years ago by Rene Ranzinger

Owner: changed from Rene Ranzinger to dbrentw

comment:2 Changed 2 years ago by dbrentw

Milestone: GRITS - 1.2 SR2GRITS - 1.2 SR3
Status: assignedaccepted

comment:3 Changed 2 years ago by dbrentw

Note: the GRITS part of the problem has been resolved in version SR1.2.

comment:4 Changed 2 years ago by dbrentw

Resolution: fixed
Status: acceptedreview

First go at fixing GELATO and GRITS to support MSn annotation. Resolved with SVN revision [3071]

comment:5 Changed 22 months ago by dbrentw

Also addressed in SVN revision [3169]

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