Incomplete mzXML files for some Astral raw data

[lgillet]

Dear Patrick, Dear Jimmy,

I needed to convert some Astral raw files with the --precursorFromFilterLine option and reverted back to ReAdW for that (I don't think there is such an option for msconvert correct?).

I used the latest available version (ReAdW.2023010.xcalibur.exe) with ThermoFoundation 3.1 and while the converter works till completion with some Astral raw files, many file conversions abort before the end without any clear indication about what went wrong.
The conversion aborts regardless of the --precursorFromFilterLine option (though then the file stops then at a different spot?!).

I copy here below some example of commands and outputs:

C:\TPP\data>ReAdW.2023010.xcalibur.exe --precursorFromFilterLine .\241202_AS1_lgillet_PierceHela05ug_DDA.raw .\241202_AS1_lgillet_PierceHela05ug_DDA.mzXML ReAdW 2023.1.0 (build Nov 8 2023 12:49:03) Xcalibur interface initialized (5). (Thermo lib opened file .\241202_AS1_lgillet_PierceHela05ug_DDA.raw) file version is 66, interface version is 2.0 or greater file should contain scan numbers 1 through 532973 (got computer name: SYSBC-00379) Calculating sha1-sum of mzXML --done (mzXML sha1):aee81f8a8d8ce862e11501f8a1021f132b48918d

=> file ending:
$ tail -10 241202_AS1_lgillet_PierceHela05ug_DDA.mzXML <offset id="532968" >3915262703</offset> <offset id="532969" >3915288204</offset> <offset id="532970" >3915314041</offset> <offset id="532971" >3915336546</offset> <offset id="532972" >3915356767</offset> <offset id="532973" >3915379435</offset> </index> <indexOffset>3915403653</indexOffset> <sha1>aee81f8a8d8ce862e11501f8a1021f132b48918d</sha1> </mzXML>
=> All ok

Then an aborted file conversion:
C:\TPP\data>ReAdW.2023010.xcalibur.exe --precursorFromFilterLine .\241206_AS1_lgillet_PierceHela02ug_DDA_CE30.raw .\2412 06_AS1_lgillet_PierceHela02ug_DDA_CE30.mzXML ReAdW 2023.1.0 (build Nov 8 2023 12:49:03) Xcalibur interface initialized (5). (Thermo lib opened file .\241206_AS1_lgillet_PierceHela02ug_DDA_CE30.raw) file version is 66, interface version is 2.0 or greater file should contain scan numbers 1 through 543206 (got computer name: SYSBC-00379)
=> file ending:
$ tail -10 241206_AS1_lgillet_PierceHela02ug_DDA_CE30.mzXML highMz="1232.53" basePeakMz="152.057" basePeakIntensity="2073.65" totIonCurrent="6037.49" > <precursorMz precursorIntensity="0" precursorCharge="2" activationMethod="HCD" >701.21320000000</precursorMz> <peaks precision="32" byteOrder="network" contentType="m/z-int" compressionType="none" compressedLen="0" >QuAZd0MZ5iJDGA6PRQGaYkNeFm5DtSbJQ5OM9EPCvzxDlogOQ5nr20OZBghDZX3rQ5wGSkQI3VNDrgd6Qyv/j0PZmuBDqLQE

I copied both files (the one working and the one not working) on my public ETH dropbox:
https://polybox.ethz.ch/index.php/s/vXWjPUYXpDEUmfJ

Let me know in case you have issues to access the files.

Thanks for letting me know what else I could do differently or if this is a memory issue of my computer or of ReAdW itself?

Thanks in advance for your help with this

Kind regards,

Ludovic