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.