"""Submodule providing a reference spectrum for salicin."""
import numpy as np
from ..Spectrum import Spectrum
SALICIN_PRECURSOR_MZ: float = 321.0750
SALICIN_MZ: np.ndarray = np.array(
[
52.27001,
55.74109,
57.76688,
60.32213,
64.12009,
82.39278,
87.02966,
91.02013,
92.37563,
93.13435,
112.07272,
116.92837,
123.04468,
138.61075,
140.95815,
146.96143,
174.95708,
184.95059,
238.55797,
305.44812,
321.07443,
]
)
SALICIN_INTENSITIES: np.ndarray = np.array(
[
2309.0,
1977.0,
2003.0,
2102.0,
2177.0,
2127.0,
2376.0,
2380.0,
2703.0,
2200.0,
2232.0,
2923.0,
2173.0,
2257.0,
2367.0,
4363.0,
31526.0,
5119.0,
2252.0,
2233.0,
22755.0,
]
)
[docs]
def salicin() -> Spectrum:
"""Return a reference spectrum for salicin."""
return Spectrum(
mz=SALICIN_MZ,
intensities=SALICIN_INTENSITIES,
metadata={"precursor_mz": SALICIN_PRECURSOR_MZ},
)