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MaxQuant v2.8.0.0 crashes on Start with KeyNotFoundException in Sdrf.WriteSdrfImpl — Orbitrap Astral, Reporter MS2 #213

Description

@seanh-funcphos

MaxQuant 2.8.0.0 crashes immediately on clicking Start (GUI) or running MaxQuantCmd with a fresh mqpar.xml. The crash is in the SDRF metadata writer before the search begins.

The mqpar was created from scratch in 2.8.0.0 (not loaded from an older version). The same raw files and equivalent settings work in v2.6.7.0.

Error

System.Collections.Generic.KeyNotFoundException: The given key '2' was not present in the dictionary.
   at System.Collections.Generic.Dictionary`2.get_Item(TKey key)
   at MaxQuantLibS.Base.Sdrf.WriteSdrfImpl(MaxQuantParams mqpar) in C:\SourceCode\net7_local\net\MaxQuantLibS\Base\Sdrf.cs:line 482

Occurs in both GUI (MainFormData.StartButton_OnClick) and command line (CommandLine.HandleRun).

Setup

  • MaxQuant version: 2.8.0.0
  • Instrument: Orbitrap Astral (msInstrument=5)
  • Run type: Reporter MS2 (TMTpro 16-plex)
  • Raw files: 2 Thermo .raw files from Astral
  • OS: Windows, .NET 8.0.7
  • mqpar: Fresh, created in 2.8.0.0 GUI

The 2.8.0.0 changelog lists a fix: "Metadata tab: SDRF file writing took the instrument name of the first row for all rows." This fix likely introduced a per-file instrument/analyzer type lookup in WriteSdrfImpl that uses a dictionary missing the key for the Astral analyzer or the Reporter MS2 run type (internal enum value 2). The dictionary was probably populated for Orbitrap/FTMS and ITMS but not for the Astral analyzer type.

I'm curious, are you testing Astral data with MaxQuant? It certainly seems like you're not.

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