Skip to content

BasicSpectrum.md

Latest commit

 

History

History
42 lines (33 loc) · 2.78 KB

BasicSpectrum.md

File metadata and controls

42 lines (33 loc) · 2.78 KB

BasicSpectrum

Properties

Name Type Description Notes
name str Optional Displayable name of this spectrum. [optional]
ms_level int MS level of the measured spectrum. Artificial spectra with no msLevel (e.g. Simulated Isotope patterns) use null or zero [optional]
collision_energy str Collision energy used for MS/MS spectra Null for spectra where collision energy is not applicable [optional]
instrument str Instrument information. [optional]
precursor_mz float Precursor m/z of the MS/MS spectrum Null for spectra where precursor m/z is not applicable [optional]
scan_number int Scan number of the spectrum. Might be null for artificial spectra with no scan number (e.g. Simulated Isotope patterns or merged spectra) [optional]
cosine_query bool True if spectrum is in cosine query normalized format. Such spectrum is compatible with SpectralLibraryMatch peak assignments to reference spectra. [default to False]
precursor_peak SimplePeak [optional]
peaks List[SimplePeak] The peaks of this spectrum which might contain additional annotations such as molecular formulas.
abs_intensity_factor float Factor to convert relative intensities to absolute intensities. Might be null or 1 for spectra where absolute intensities are not available (E.g. artificial or merged spectra) <p> DEPRECATED: Spectra are always returned with raw intensities. Use provided normalization factors to normalize on the fly. [optional]
max_norm_factor float Factor to convert absolute intensities to MAX norm. [optional]
sum_norm_factor float Factor to convert absolute intensities to SUM norm. [optional]
l2_norm_factor float Factor to convert absolute intensities to L2 (Euclidean) norm. [optional]
first_peak_norm_factor float Factor to convert absolute intensities to normalize intensities by first peak intensity. [optional]

Example

from PySirius.models.basic_spectrum import BasicSpectrum

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

# convert the object into a dict
basic_spectrum_dict = basic_spectrum_instance.to_dict()
# create an instance of BasicSpectrum from a dict
basic_spectrum_from_dict = BasicSpectrum.from_dict(basic_spectrum_dict)

[Back to Model list] [Back to API list] [Back to README]