search

glasgowcompbio / ms2ldaviz

Substructural discovery in untargeted metabolomics data using LDA topic modelling.
http://ms2lda.org
MIT License
11 stars 8 forks source link

Magma annotation in show_doc and view_parents pages are not the same #179

Open joewandy opened 3 years ago

joewandy commented 3 years ago

It seems that the codes used to retrieve magma substructure annotations when viewing the spectra information (show_doc) is not the same as when viewing mass2motif information (view_parents).

e.g. from the spectra information at http://ms2lda.org/basicviz/show_doc/848411, we see there's a magma annotation for fragment_369.3125 in motif_223.

image

but when we view the motif information for motif 223 at http://ms2lda.org/basicviz/view_parents/121444/, it's all empty:

image

I think this is because in the show_doc page, when the particular feature instance in this experiment is not annotated, it goes to retrieve the annotation for the global feature instead (e.g. massbank). The codes should probably be the same in both places?

justinjjvanderhooft commented 3 years ago

Yes, if no experiment MAGMa annotations are available, we present those from MassBank (if there) - and I agree that it would be good to have the same code at the two different places where the features are presented....