[Bug] Lower Cosine that we should be getting

mwang87 / MetabolomicsSpectrumResolver

Metabolomics Spectrum Resolver/Displayer

https://metabolomics-usi.ucsd.edu/

MIT License

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[Bug] Lower Cosine that we should be getting #180

Closed mwang87 closed 2 years ago

mwang87 commented 2 years ago

https://metabolomics-usi.ucsd.edu/dashinterface/?usi1=mzspec%3APXD000533%3A3B19-1.mzML%3Ascan%3A22121&usi2=mzspec%3APXD022531%3Ab9451_ALCAM.mzXML%3Ascan%3A18869&width=10.0&height=6.0&mz_min=None&mz_max=None&max_intensity=125&annotate_precision=4&annotation_rotation=90&cosine=shifted&fragment_mz_tolerance=2.0&grid=False&annotate_peaks=%5B%5B846.5438232421875%2C%20888.5302734375%5D%2C%20%5B%5D%5D

Reference Similarity

bittremieux commented 2 years ago

The similarity from the resolver is the same as from matchms, so I don't think there's really an issue. The discrepancy with the GNPS score is because we don't do any preprocessing. Here, this means that the precursor peak in the bottom spectrum will have a large influence, whereas in the GNPS score it's not included.