Closed rhelmus closed 7 years ago
Hi Rick, no problem. I am happy you are reporting these issues. This might be fixed with the last update to version 2.4.2. I recommend using the offline version of the MetFusion score which uses a local spectral library originating from MoNA. Should be quite up-to-date.
Just add to the settings object additional values like:
settings[["MetFragScoreTypes"]]<-c("FragmenterScore", "OfflineMetFusionScore")
settings[["MetFragScoreWeights"]]<-c(1.0, 1.0)
The offline MetFusion score is quite faster than the online version. Please close this issue if you are fine with it.
Best regards, Christoph
Thanks for the prompt changes! It seems to work fine now.
By coincidence I first tested with only the OfflineMetFusionScore
enabled and then it threw a NullPointerException
. Then I tried it with c("PubChemNumberPubMedReferences", "OfflineMetFusionScore")
and it also crashed, so the metfusion score seems dependent on FragmenterScore
. In any case, not an issue for me and I guess in general as you usually want this score.
I will close the report as the small bug is a bit unrelated anyway.
Hi Christoph,
Hopefully you're not getting mad for me bothering you again ... :-)
I'm trying to include MoNa scoring (similar to the Spectra Similarity scoring option in the web interface), but it throws an exception (both via R and commandline interface):
This is the result from the example with the
MetFusionMoNAScore
scoring set inMetFragScoreTypes
.Regards, Rick