SIRIUS 6: No Id field in the output summary files

[fumiomatsuda]

Dear SIRIUS development team.

Thanks a lot for developing SIRIUS!

I tested the new SIRIUS 6 last night. I did a compound annotation task using more than 3000 .ms files of MS2 data obtained from MassBank.

I tried to obtain search results from the output summary files and found that the structure_identifications.tsv and all other files does not have "id" field. The compound_identifications.tsv file generated by SIRIUS5 included the "compound" information in ".ms" file, like

compound MSBNK-BGC_Munich-RP000301 in the "Id" field, which was very convenient and essential to retrieve the search result.

It would be my great pleasure if this point is considered in the next update.

Thanks

Fumio

[kaibioinfo]

Hi, there should be two id columns:

• alignedFeatureId is the internally used ID and uniquely identifies the corresponding feature. The number is currently a bit long and unreadable, though, cause its an unique identifier.
• there should be also a field named mappingFeatureId that contains an "external" feature ID. Whenever you import data from outside (e.g. from an MGF file) it should use the ID given in that file. For MGF this is the value of the FEATURE_ID field

It seems that the name in the .ms file is currently not used for the mappingFeatureId, which is likely a bug we can fix with the next patch.