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Adding Bonanza score to spectrum similarity calculation #124
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yes, you're right. we base the GNPS implementation on the same paper (Michael Witting got permission for that). Note that in MsCoreUtils/Spectra we split the spectra matching functionality into two parts:
So, for the first part you could use/rely on the Alternatively, as in the case of the entropy-based similarity scoring, where we use the functionality from the external |
I will add bonanza.R to https://github.com/rformassspectrometry/MsCoreUtils/tree/main/R .
I will mimic
Spectral_Similarity_Algorithms.r
in https://doi.org/10.1021/acs.analchem.0c02521 (for the implementation).https://github.com/rformassspectrometry/MsCoreUtils/blob/main/R/gnps.R also mimics
Spectral_Similarity_Algorithms.r
https://github.com/rformassspectrometry/MsCoreUtils/blob/main/R/gnps.R#L75-L78 .
I have obtained permission from its author, @Philipbear , to mimic it.
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