Source code for matchms.reference_spectra.hydroxy_cholesterol

"""Submodule providing a reference spectrum for hydroxy-cholesterol."""

import numpy as np
from ..Spectrum import Spectrum


HYDROXY_CHOLESTEROL_PRECURSOR_MZ: float = 385.345

HYDROXY_CHOLESTEROL_MZ: np.ndarray = np.array(
    [
        79.306831,
        81.036896,
        83.170624,
        95.116501,
        97.141312,
        103.330635,
        105.13884,
        107.099525,
        109.088669,
        111.171356,
        117.067558,
        119.17308,
        121.166855,
        123.211304,
        125.549042,
        129.067566,
        131.025848,
        133.06012,
        135.10881,
        137.158203,
        139.159882,
        143.095245,
        144.09375,
        145.11795,
        147.135376,
        149.237,
        151.340973,
        155.078186,
        156.218506,
        157.128006,
        159.123199,
        160.329163,
        161.145004,
        163.198151,
        165.245865,
        167.088364,
        169.130753,
        170.001282,
        171.115753,
        173.205078,
        175.229889,
        177.121674,
        179.243744,
        181.121948,
        182.870956,
        185.176254,
        187.167389,
        188.135376,
        189.40036,
        191.186417,
        193.249725,
        197.140747,
        199.207489,
        201.150269,
        202.018677,
        203.189331,
        205.19397,
        207.164642,
        209.172241,
        210.234711,
        211.334076,
        213.274597,
        214.419525,
        215.139832,
        217.144775,
        218.287445,
        219.207062,
        221.182129,
        223.02652,
        224.174591,
        225.354797,
        227.09613,
        229.292114,
        231.228241,
        233.224274,
        239.40976,
        241.226135,
        243.170807,
        245.26358,
        247.416382,
        249.43924,
        251.274628,
        253.427612,
        255.29483,
        257.357147,
        259.194214,
        261.212494,
        263.759247,
        267.261414,
        269.225983,
        271.266144,
        272.015472,
        273.283508,
        274.167114,
        283.198181,
        285.315887,
        287.210297,
        288.743622,
        289.402252,
        291.233917,
        293.318817,
        295.074127,
        297.280762,
        299.349792,
        301.309204,
        303.264313,
        305.25528,
        309.267731,
        311.262543,
        313.286377,
        315.270203,
        324.4086,
        325.427856,
        327.317963,
        327.939636,
        329.279388,
        338.460541,
        339.459991,
        340.288177,
        341.369415,
        343.326355,
        349.281647,
        354.272034,
        357.45163,
        365.516479,
        367.329041,
        368.233795,
        368.874878,
        384.32431,
        385.305664,
        386.437317,
    ]
)

HYDROXY_CHOLESTEROL_INTENSITIES: np.ndarray = np.array(
    [
        4.979912,
        22.765455,
        16.608736,
        84.772972,
        70.130226,
        11.714973,
        31.981926,
        54.602894,
        91.455025,
        46.116692,
        37.930031,
        74.307091,
        41.617023,
        54.827194,
        3.832052,
        68.119186,
        102.478645,
        114.723343,
        107.749023,
        12.766851,
        6.991966,
        17.36504,
        16.665106,
        121.05883,
        66.699089,
        78.691193,
        21.242491,
        17.17906,
        18.209969,
        16.721523,
        220.098206,
        7.839384,
        180.722809,
        176.15947,
        85.956116,
        18.90317,
        36.619061,
        14.848515,
        26.946314,
        195.633636,
        74.910393,
        184.579041,
        174.899841,
        63.308514,
        11.29303,
        37.871227,
        325.631165,
        7.312701,
        98.873009,
        323.946899,
        71.510201,
        16.049942,
        64.065384,
        192.031296,
        14.154707,
        120.749435,
        368.516785,
        226.5923,
        28.575651,
        15.240299,
        6.454416,
        176.759491,
        10.867487,
        91.041054,
        85.689346,
        7.409761,
        365.31958,
        28.595486,
        40.717285,
        11.677838,
        11.328114,
        145.452393,
        80.116074,
        263.121277,
        252.111954,
        11.013158,
        319.304626,
        56.70892,
        139.755737,
        57.950039,
        23.482685,
        14.781034,
        22.184134,
        454.479736,
        154.093491,
        368.519592,
        56.954346,
        42.744823,
        19.643261,
        88.461494,
        94.910172,
        16.442837,
        413.641632,
        7.44519,
        41.749924,
        87.47644,
        128.763336,
        64.673119,
        14.391298,
        13.502331,
        75.397293,
        49.663109,
        169.150269,
        12.272851,
        152.579407,
        113.564987,
        30.968838,
        16.352489,
        310.930267,
        41.870014,
        20.039595,
        72.416031,
        155.088058,
        234.508896,
        24.093281,
        83.271744,
        53.767117,
        85.915543,
        40.059822,
        35.149338,
        25.068996,
        30.07332,
        9.299104,
        60.239254,
        6.935501,
        14848.887695,
        179.36615,
        46.81424,
        46.517662,
        447.72229,
        12.113778,
    ]
)


[docs] def hydroxy_cholesterol() -> Spectrum: """Return a reference spectrum for hydroxy-cholesterol.""" return Spectrum( mz=HYDROXY_CHOLESTEROL_MZ, intensities=HYDROXY_CHOLESTEROL_INTENSITIES, metadata={"precursor_mz": HYDROXY_CHOLESTEROL_PRECURSOR_MZ}, )