Issue 863: Problem loading a small mol document with isotope labels - Skyline complains that they aren't known modifications (which should not matter)

Status:closed
Assigned To:Guest
Type:Defect
Area:Skyline
Priority:3
Milestone:22.1
Opened:2022-01-12 10:59 by Brian Pratt
Changed:2022-04-01 08:42 by Brian Pratt
Resolved:2022-03-31 21:45 by Nick Shulman
Resolution:Fixed
Closed:2022-04-01 08:42 by Brian Pratt
2022-01-12 10:59 Brian Pratt
Title»Problem loading a small mol document with isotope labels - Skyline complains that they aren't known modifications (which should not matter)
Assigned To»Brian Pratt
Type»Defect
Area»Skyline
Priority»3
Milestone»22.1
Skyline complains:
Failure opening C:\Users\bspratt\Downloads\dia_qehfMetab_template.sky.
The file contains an error on line 1996 at column 8.
The isotope modification type 13C does not exist in the document settings.


Trouble comes from the line
<precursor charge="1" isotope_label="13C" precursor_mz="181.139081" auto_manage_children="false" collision_energy="0" ion_formula="C6H14N4O2[M6C13+H]" neutral_mass_average="174.20185999999998" neutral_mass_monoisotopic="174.11167575" custom_ion_name="ARGININE">
     
Can we worked around by removing
    isotope_label="13C"
but really, it shouldn't matter.
 
 dia_qehfMetab_template.sky

2022-03-11 15:30 Brian Pratt
resolve as Not Repro
Statusopen»resolved
Can't see how to get a Skyline doc into that state.

2022-03-11 15:30 Brian Pratt
close
Statusresolved»closed
Assigned ToBrian Pratt»Guest

2022-03-14 12:10 Brian Pratt
reopen
Statusclosed»open
Assigned ToGuest»Brian Pratt

2022-03-15 12:20 Brian Pratt
Assigned ToBrian Pratt»Nick Shulman

2022-03-31 21:45 Nick Shulman
resolve as Fixed
Statusopen»resolved
Assigned ToNick Shulman»Brian Pratt
Fixed in PR 2053

2022-04-01 08:42 Brian Pratt
close
Statusresolved»closed
Assigned ToBrian Pratt»Guest