SpectralLibraryMatch.md

SpectralLibraryMatch

Properties

Name	Type	Description	Notes
spec_match_id	str		[optional]
rank	int		[optional]
similarity	float	Similarity between query and reference spectrum
shared_peaks	int	Number of shared/matched peaks	[optional]
shared_peak_mapping	List[PeakPair]	List of paired/matched peak indices. Maps indices of peaks from the query spectrum (mass sorted) to indices of matched peaks in the reference spectrum (mass sorted)	[optional]
query_spectrum_index	int
db_name	str		[optional]
db_id	str		[optional]
uuid	int
splash	str		[optional]
molecular_formula	str		[optional]
adduct	str		[optional]
exact_mass	float		[optional]
smiles	str		[optional]
type	SpectralMatchType		[optional] [default to SpectralMatchType.IDENTITY]
inchi_key	str
reference_spectrum_type	SpectrumType		[optional]
reference_spectrum	BasicSpectrum		[optional]
query_spectrum_type	SpectrumType		[optional]

Example

from PySirius.models.spectral_library_match import SpectralLibraryMatch

# TODO update the JSON string below
json = "{}"
# create an instance of SpectralLibraryMatch from a JSON string
spectral_library_match_instance = SpectralLibraryMatch.from_json(json)
# print the JSON string representation of the object
print(SpectralLibraryMatch.to_json())

# convert the object into a dict
spectral_library_match_dict = spectral_library_match_instance.to_dict()
# create an instance of SpectralLibraryMatch from a dict
spectral_library_match_from_dict = SpectralLibraryMatch.from_dict(spectral_library_match_dict)

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