Small molecules added from NIST-type library are missing ExplicitRetentionTime

[meowcat]

Steps to reproduce: 1) create blank document in molecule mode 2) View -> spectral libraries. Dropdown -> Add, choose a name, add the MSP file from this gist: https://gist.github.com/meowcat/4f0a08cd803d941cd1ac53829931ee5f 3) Select the new library in the dropdown, select the "Metamitron" molecule, "Add" 4) Confirm "adding the library to your document" 5) Right-click on the added entry "Metamitron...", modify Explicit Retention Time is missing.

Investigations:

• RetentionTime is parsed correctly from the MSP.
• When performing AddPeptide: https://github.com/ProteoWizard/pwiz/blob/fd07aa9749745d79c21fa38ae68e4d55cff9ccdc/pwiz_tools/Skyline/SettingsUI/ViewLibraryDlg.cs#L1734 At L1784 breakpoint, in pepMatcher.PeptideMatches[0].Value, the retention time is present in LibInfo.RT but absent in NodePep.ExplicitRetentionTime.
• I haven't figured out yet where the PeptideDocNode entries are created from (supposedly) the library info.

[meowcat]

Note: this was similarly reported in 2019, but was reportedly addressed: https://skyline.ms/announcements/home/support/thread.view?rowId=38820

[meowcat]

In https://github.com/ProteoWizard/pwiz/blob/1f52dda5cab072f40ce0f641ed36a4a62c1d0726/pwiz_tools/Skyline/Model/LibKeyModificationMatcher.cs#L339, the nodePep created from CreateDocNodeFromSettings is missing the ExplicitRetentionTime

[meowcat]

I have a fix in https://github.com/ProteoWizard/pwiz/pull/2860 but I don't know if that's the right way to do it.