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update class docstrings
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CunliangGeng committed Dec 19, 2023
1 parent 39371b0 commit 4514060
Showing 1 changed file with 4 additions and 2 deletions.
6 changes: 4 additions & 2 deletions src/nplinker/metabolomics/spectrum.py
Original file line number Diff line number Diff line change
Expand Up @@ -33,15 +33,17 @@ def __init__(
Attributes:
spectrum_id (str): the spectrum ID.
precursor_mz (float): the precursor m/z.
mz (list[float]): the list of m/z values.
intensity (list[float]): the list of intensity values.
precursor_mz (float): the m/z value of the precursor.
rt (float): the retention time in seconds.
metadata (dict): the metadata of the spectrum, i.e. the header infomation in the MGF
file.
gnps_annotations (dict): the GNPS annotations of the spectrum.
gnps_id (str | None): the GNPS ID of the spectrum.
strains (StrainCollection): the strains that this spectrum belongs to.
family (MolecularFamily): the molecular family that this spectrum belongs to.
peaks (np.ndarray): 2D array of peaks, and each row is a peak of (m/z, intensity).
peaks (np.ndarray): 2D array of peaks, each row is a peak of (m/z, intensity) values.
"""
self.spectrum_id = spectrum_id
self.mz = mz
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