Set required mzML defaultArrayLength

[Mailaender]

This is a followup to #852.

[bspratt]

Those changes look promising - can you re-run that conversion and send me a link to the result?

[Mailaender]

https://share.lablicate.com/index.php/s/3fNrdw3q95PiRnp

[bspratt]

Looks good - I can view it in SeeMS with my patch for tolerating zero length scans (that should show up in tomorrow's release at https://proteowizard.sourceforge.io/download.html).

Ideally you would also populate each scan's base peak m/z, base peak intensity, and total ion current, e.g.

      <cvParam cvRef="MS" accession="MS:1000505" name="base peak intensity" value="1196.0" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>
      <cvParam cvRef="MS" accession="MS:1000504" name="base peak m/z" value="328.049513705619" unitCvRef="MS" unitAccession="MS:1000040" unitName="m/z"/>
      <cvParam cvRef="MS" accession="MS:1000285" name="total ion current" value="9941.0" unitCvRef="MS" unitAccession="MS:1000131" unitName="number of detector counts"/>

Also setting the spectrum type is good practice, e.g.

      <cvParam cvRef cvRef="MS" accession="MS:1000579" name="MS1 spectrum" value=""/>

or, where mslevel is greater than 1,

    <cvParam cvRef="MS" accession="MS:1000580" name="MSn spectrum" value=""/>

[Mailaender]

Updated.

[bspratt]

These changes look good. Can you post another converter output file?

[Mailaender]

https://share.lablicate.com/index.php/s/Q5TNSRDQfMm4Ffc

Note that this increases file size by ~ 40 %.

[bspratt]

Looks great!

Note that this increases file size by ~ 40 %.

Yes, mzML is terribly verbose.

[Mailaender]

https://github.com/OpenChrom/openchrom/wiki/Changelog#202112230244 a new version containing this fix has been released. Happy holidays. 🎄

[bspratt]

Echt gut. Fröhliche Weihnachtszeit!