""" A dict with the exact element masses retrieved from the CRC Handbook of Chemistry and Physics 2015 There are entries for each element containing the masses and relative abundances of several abundant isotopes and a separate entry for undefined isotope with zero key, mass of the most abundant isotope and 1.0 abundance. """ crc_mass = { 'Ac': { 0: (None, 100.000000), 227: (227.027752, 0.000000), }, 'Ag': { 0: (106.905097, 100.000000), 107: (106.905097, 0.518390), 109: (108.904752, 0.481610), }, 'Al': { 0: (26.981539, 100.000000), 27: (26.981539, 1.000000), }, 'Am': { 0: (None, 100.000000), 241: (241.056829, 0.000000), 243: (243.061381, 0.000000), }, 'Ar': { 0: (39.962383, 100.000000), 36: (35.967545, 0.003365), 38: (37.962732, 0.000632), 40: (39.962383, 0.996003), }, 'As': { 0: (74.921597, 100.000000), 75: (74.921597, 1.000000), }, 'At': { 0: (None, 100.000000), 210: (209.987148, 0.000000), 211: (210.987496, 0.000000), }, 'Au': { 0: (196.966569, 100.000000), 197: (196.966569, 1.000000), 198: (197.968242, 0.000000), }, 'B': { 0: (11.009305, 100.000000), 10: (10.012937, 0.199000), 11: (11.009305, 0.801000), }, 'Ba': { 0: (137.905247, 100.000000), 130: (129.906321, 0.001060), 132: (131.905061, 0.001010), 133: (132.906007, 0.000000), 134: (133.904508, 0.024170), 135: (134.905689, 0.065920), 136: (135.904576, 0.078540), 137: (136.905827, 0.112320), 138: (137.905247, 0.716980), 140: (139.910605, 0.000000), }, 'Be': { 0: (9.012182, 100.000000), 9: (9.012182, 1.000000), }, 'Bh': { 0: (None, 100.000000), 264: (264.124600, 0.000000), }, 'Bi': { 0: (208.980399, 100.000000), 207: (206.978471, 0.000000), 209: (208.980399, 1.000000), }, 'Bk': { 0: (None, 100.000000), 247: (247.070307, 0.000000), 249: (249.074987, 0.000000), }, 'Br': { 0: (78.918337, 100.000000), 79: (78.918337, 0.506900), 81: (80.916291, 0.493100), }, 'C': { 0: (12.000000, 100.000000), 11: (11.011434, 0.000000), 12: (12.000000, 0.989300), 13: (13.003355, 0.010700), 14: (14.003242, 0.000000), }, 'Ca': { 0: (39.962591, 100.000000), 40: (39.962591, 0.969410), 42: (41.958618, 0.006470), 43: (42.958767, 0.001350), 44: (43.955482, 0.020860), 45: (44.956187, 0.000000), 46: (45.953693, 0.000040), 47: (46.954546, 0.000000), 48: (47.952534, 0.001870), }, 'Cd': { 0: (113.903358, 100.000000), 106: (105.906459, 0.012500), 108: (107.904184, 0.008900), 110: (109.903002, 0.124900), 111: (110.904178, 0.128000), 112: (111.902758, 0.241300), 113: (112.904402, 0.122200), 114: (113.903358, 0.287300), 116: (115.904756, 0.074900), }, 'Ce': { 0: (139.905439, 100.000000), 136: (135.907172, 0.001850), 138: (137.905991, 0.002510), 140: (139.905439, 0.884500), 141: (140.908276, 0.000000), 142: (141.909244, 0.111140), 144: (143.913647, 0.000000), }, 'Cf': { 0: (None, 100.000000), 249: (249.074853, 0.000000), 250: (250.076406, 0.000000), 251: (251.079587, 0.000000), 252: (252.081626, 0.000000), }, 'Cl': { 0: (34.968853, 100.000000), 35: (34.968853, 0.757600), 37: (36.965903, 0.242400), }, 'Cm': { 0: (None, 100.000000), 243: (243.061389, 0.000000), 244: (244.062753, 0.000000), 245: (245.065491, 0.000000), 246: (246.067224, 0.000000), 247: (247.070354, 0.000000), 248: (248.072349, 0.000000), }, 'Co': { 0: (58.933195, 100.000000), 57: (56.936291, 0.000000), 58: (57.935753, 0.000000), 59: (58.933195, 1.000000), 60: (59.933817, 0.000000), }, 'Cr': { 0: (51.940508, 100.000000), 50: (49.946044, 0.043450), 51: (50.944767, 0.000000), 52: (51.940508, 0.837890), 53: (52.940649, 0.095010), 54: (53.938880, 0.023650), }, 'Cs': { 0: (132.905452, 100.000000), 129: (128.906064, 0.000000), 133: (132.905452, 1.000000), 134: (133.906718, 0.000000), 136: (135.907312, 0.000000), 137: (136.907090, 0.000000), }, 'Cu': { 0: (62.929597, 100.000000), 63: (62.929597, 0.691500), 64: (63.929764, 0.000000), 65: (64.927790, 0.308500), }, 'Db': { 0: (None, 100.000000), 262: (262.114080, 0.000000), }, 'Ds': { 0: (None, 100.000000), 281: (281.162060, 0.000000), }, 'Dy': { 0: (163.929175, 100.000000), 156: (155.924283, 0.000560), 158: (157.924409, 0.000950), 160: (159.925197, 0.023290), 161: (160.926933, 0.188890), 162: (161.926798, 0.254750), 163: (162.928731, 0.248960), 164: (163.929175, 0.282600), }, 'Er': { 0: (165.930293, 100.000000), 162: (161.928778, 0.001390), 164: (163.929200, 0.016010), 166: (165.930293, 0.335030), 167: (166.932048, 0.228690), 168: (167.932370, 0.269780), 170: (169.935464, 0.149100), }, 'Es': { 0: (None, 100.000000), 252: (252.082980, 0.000000), }, 'Eu': { 0: (152.921230, 100.000000), 151: (150.919850, 0.478100), 153: (152.921230, 0.521900), }, 'F': { 0: (18.998403, 100.000000), 18: (18.000938, 0.000000), 19: (18.998403, 1.000000), }, 'Fe': { 0: (55.934937, 100.000000), 52: (51.948114, 0.000000), 54: (53.939611, 0.058450), 55: (54.938293, 0.000000), 56: (55.934937, 0.917540), 57: (56.935394, 0.021190), 58: (57.933276, 0.002820), 59: (58.934875, 0.000000), }, 'Fm': { 0: (None, 100.000000), 257: (257.095105, 0.000000), }, 'Fr': { 0: (None, 100.000000), 223: (223.019736, 0.000000), }, 'Ga': { 0: (68.925574, 100.000000), 67: (66.928202, 0.000000), 68: (67.927980, 0.000000), 69: (68.925574, 0.601080), 71: (70.924701, 0.398920), }, 'Gd': { 0: (157.924104, 100.000000), 152: (151.919791, 0.002000), 154: (153.920866, 0.021800), 155: (154.922622, 0.148000), 156: (155.922123, 0.204700), 157: (156.923960, 0.156500), 158: (157.924104, 0.248400), 160: (159.927054, 0.218600), }, 'Ge': { 0: (73.921178, 100.000000), 68: (67.928094, 0.000000), 70: (69.924247, 0.203800), 72: (71.922076, 0.273100), 73: (72.923459, 0.077600), 74: (73.921178, 0.367200), 76: (75.921403, 0.078300), }, 'H': { 0: (1.007825, 100.000000), 1: (1.007825, 0.999885), 2: (2.014102, 0.000115), 3: (3.016049, 0.000000), }, 'He': { 0: (4.002603, 100.000000), 3: (3.016029, 0.000001), 4: (4.002603, 0.999999), }, 'Hf': { 0: (179.946550, 100.000000), 174: (173.940046, 0.001600), 176: (175.941409, 0.052600), 177: (176.943221, 0.186000), 178: (177.943699, 0.272800), 179: (178.945816, 0.136200), 180: (179.946550, 0.350800), }, 'Hg': { 0: (201.970643, 100.000000), 196: (195.965833, 0.001500), 197: (196.967213, 0.000000), 198: (197.966769, 0.099700), 199: (198.968280, 0.168700), 200: (199.968326, 0.231000), 201: (200.970302, 0.131800), 202: (201.970643, 0.298600), 203: (202.972872, 0.000000), 204: (203.973494, 0.068700), }, 'Ho': { 0: (164.930322, 100.000000), 165: (164.930322, 1.000000), }, 'Hs': { 0: (None, 100.000000), 265: (265.130090, 0.000000), }, 'I': { 0: (126.904473, 100.000000), 123: (122.905589, 0.000000), 125: (124.904630, 0.000000), 127: (126.904473, 1.000000), 129: (128.904988, 0.000000), 131: (130.906125, 0.000000), }, 'In': { 0: (114.903878, 100.000000), 111: (110.905103, 0.000000), 113: (112.904058, 0.042900), 115: (114.903878, 0.957100), }, 'Ir': { 0: (192.962926, 100.000000), 191: (190.960594, 0.373000), 193: (192.962926, 0.627000), }, 'K': { 0: (38.963707, 100.000000), 39: (38.963707, 0.932581), 40: (39.963998, 0.000117), 41: (40.961826, 0.067302), 42: (41.962403, 0.000000), 43: (42.960716, 0.000000), }, 'Kr': { 0: (83.911507, 100.000000), 78: (77.920365, 0.003550), 80: (79.916379, 0.022860), 82: (81.913484, 0.115930), 83: (82.914136, 0.115000), 84: (83.911507, 0.569870), 86: (85.910611, 0.172790), }, 'La': { 0: (138.906353, 100.000000), 138: (137.907112, 0.000900), 139: (138.906353, 0.999100), }, 'Li': { 0: (7.016005, 100.000000), 6: (6.015123, 0.075900), 7: (7.016005, 0.924100), }, 'Lr': { 0: (None, 100.000000), 262: (262.109630, 0.000000), }, 'Lu': { 0: (174.940772, 100.000000), 175: (174.940772, 0.974100), 176: (175.942686, 0.025900), }, 'Md': { 0: (None, 100.000000), 256: (256.094060, 0.000000), 258: (258.098431, 0.000000), }, 'Mg': { 0: (23.985042, 100.000000), 24: (23.985042, 0.789900), 25: (24.985837, 0.100000), 26: (25.982593, 0.110100), }, 'Mn': { 0: (54.938045, 100.000000), 54: (53.940359, 0.000000), 55: (54.938045, 1.000000), }, 'Mo': { 0: (97.905408, 100.000000), 92: (91.906811, 0.147700), 94: (93.905088, 0.092300), 95: (94.905842, 0.159000), 96: (95.904680, 0.166800), 97: (96.906021, 0.095600), 98: (97.905408, 0.241900), 99: (98.907712, 0.000000), 100: (99.907477, 0.096700), }, 'Mt': { 0: (None, 100.000000), 268: (268.138730, 0.000000), }, 'N': { 0: (14.003074, 100.000000), 14: (14.003074, 0.996360), 15: (15.000109, 0.003640), }, 'Na': { 0: (22.989769, 100.000000), 22: (21.994436, 0.000000), 23: (22.989769, 1.000000), 24: (23.990963, 0.000000), }, 'Nb': { 0: (92.906378, 100.000000), 93: (92.906378, 1.000000), }, 'Nd': { 0: (141.907723, 100.000000), 142: (141.907723, 0.272000), 143: (142.909814, 0.122000), 144: (143.910087, 0.238000), 145: (144.912574, 0.083000), 146: (145.913117, 0.172000), 148: (147.916893, 0.057000), 150: (149.920891, 0.056000), }, 'Ne': { 0: (19.992440, 100.000000), 20: (19.992440, 0.904800), 21: (20.993847, 0.002700), 22: (21.991385, 0.092500), }, 'Ni': { 0: (57.935343, 100.000000), 58: (57.935343, 0.680769), 59: (58.934347, 0.000000), 60: (59.930786, 0.262231), 61: (60.931056, 0.011399), 62: (61.928345, 0.036345), 63: (62.929669, 0.000000), 64: (63.927966, 0.009256), }, 'No': { 0: (None, 100.000000), 259: (259.101030, 0.000000), }, 'Np': { 0: (None, 100.000000), 237: (237.048173, 0.000000), 239: (239.052939, 0.000000), }, 'O': { 0: (15.994915, 100.000000), 16: (15.994915, 0.997570), 17: (16.999132, 0.000380), 18: (17.999161, 0.002050), }, 'Os': { 0: (191.961481, 100.000000), 184: (183.952489, 0.000200), 186: (185.953838, 0.015900), 187: (186.955750, 0.019600), 188: (187.955838, 0.132400), 189: (188.958147, 0.161500), 190: (189.958447, 0.262600), 192: (191.961481, 0.407800), }, 'P': { 0: (30.973762, 100.000000), 31: (30.973762, 1.000000), 32: (31.973907, 0.000000), }, 'Pa': { 0: (231.035884, 100.000000), 231: (231.035884, 1.000000), }, 'Pb': { 0: (207.976652, 100.000000), 204: (203.973044, 0.014000), 206: (205.974465, 0.241000), 207: (206.975897, 0.221000), 208: (207.976652, 0.524000), 210: (209.984188, 0.000000), }, 'Pd': { 0: (105.903486, 100.000000), 102: (101.905609, 0.010200), 104: (103.904036, 0.111400), 105: (104.905085, 0.223300), 106: (105.903486, 0.273300), 108: (107.903892, 0.264600), 110: (109.905153, 0.117200), }, 'Pm': { 0: (None, 100.000000), 145: (144.912749, 0.000000), 147: (146.915139, 0.000000), }, 'Po': { 0: (None, 100.000000), 209: (208.982430, 0.000000), 210: (209.982874, 0.000000), }, 'Pr': { 0: (140.907653, 100.000000), 141: (140.907653, 1.000000), }, 'Pt': { 0: (194.964791, 100.000000), 190: (189.959932, 0.000140), 192: (191.961038, 0.007820), 194: (193.962680, 0.329670), 195: (194.964791, 0.338320), 196: (195.964952, 0.252420), 198: (197.967893, 0.071630), }, 'Pu': { 0: (None, 100.000000), 238: (238.049560, 0.000000), 239: (239.052163, 0.000000), 240: (240.053813, 0.000000), 241: (241.056851, 0.000000), 242: (242.058743, 0.000000), 244: (244.064204, 0.000000), }, 'Ra': { 0: (None, 100.000000), 223: (223.018502, 0.000000), 224: (224.020212, 0.000000), 226: (226.025410, 0.000000), 228: (228.031070, 0.000000), }, 'Rb': { 0: (84.911790, 100.000000), 85: (84.911790, 0.721700), 86: (85.911167, 0.000000), 87: (86.909181, 0.278300), }, 'Re': { 0: (186.955753, 100.000000), 185: (184.952955, 0.374000), 187: (186.955753, 0.626000), }, 'Rf': { 0: (None, 100.000000), 261: (261.108770, 0.000000), }, 'Rg': { 0: (None, 100.000000), 272: (273.153620, 0.000000), }, 'Rh': { 0: (102.905504, 100.000000), 103: (102.905504, 1.000000), }, 'Rn': { 0: (None, 100.000000), 211: (210.990601, 0.000000), 220: (220.011394, 0.000000), 222: (222.017578, 0.000000), }, 'Ru': { 0: (101.904349, 100.000000), 96: (95.907598, 0.055400), 98: (97.905287, 0.018700), 99: (98.905939, 0.127600), 100: (99.904219, 0.126000), 101: (100.905582, 0.170600), 102: (101.904349, 0.315500), 104: (103.905433, 0.186200), 106: (105.907329, 0.000000), }, 'S': { 0: (31.972071, 100.000000), 32: (31.972071, 0.949900), 33: (32.971459, 0.007500), 34: (33.967867, 0.042500), 35: (34.969032, 0.000000), 36: (35.967081, 0.000100), }, 'Sb': { 0: (120.903816, 100.000000), 121: (120.903816, 0.572100), 123: (122.904214, 0.427900), }, 'Sc': { 0: (44.955912, 100.000000), 45: (44.955912, 1.000000), }, 'Se': { 0: (79.916521, 100.000000), 74: (73.922476, 0.008900), 75: (74.922523, 0.000000), 76: (75.919214, 0.093700), 77: (76.919914, 0.076300), 78: (77.917309, 0.237700), 79: (78.918499, 0.000000), 80: (79.916521, 0.496100), 82: (81.916699, 0.087300), }, 'Sg': { 0: (None, 100.000000), 263: (263.118320, 0.000000), }, 'Si': { 0: (27.976927, 100.000000), 28: (27.976927, 0.922230), 29: (28.976495, 0.046850), 30: (29.973770, 0.030920), }, 'Sm': { 0: (151.919732, 100.000000), 144: (143.911999, 0.030700), 147: (146.914898, 0.149900), 148: (147.914823, 0.112400), 149: (148.917185, 0.138200), 150: (149.917275, 0.073800), 152: (151.919732, 0.267500), 154: (153.922209, 0.227500), }, 'Sn': { 0: (119.902195, 100.000000), 112: (111.904818, 0.009700), 113: (112.905171, 0.000000), 114: (113.902779, 0.006600), 115: (114.903342, 0.003400), 116: (115.901741, 0.145400), 117: (116.902952, 0.076800), 118: (117.901603, 0.242200), 119: (118.903308, 0.085900), 120: (119.902195, 0.325800), 122: (121.903439, 0.046300), 124: (123.905274, 0.057900), }, 'Sr': { 0: (87.905612, 100.000000), 84: (83.913425, 0.005600), 85: (84.912933, 0.000000), 86: (85.909260, 0.098600), 87: (86.908877, 0.070000), 88: (87.905612, 0.825800), 89: (88.907451, 0.000000), 90: (89.907738, 0.000000), }, 'Ta': { 0: (180.947996, 100.000000), 180: (179.947465, 0.000120), 181: (180.947996, 0.999880), }, 'Tb': { 0: (158.925347, 100.000000), 159: (158.925347, 1.000000), }, 'Tc': { 0: (None, 100.000000), 97: (96.906365, 0.000000), 98: (97.907216, 0.000000), 99: (98.906255, 0.000000), }, 'Te': { 0: (129.906224, 100.000000), 120: (119.904020, 0.000900), 122: (121.903044, 0.025500), 123: (122.904270, 0.008900), 124: (123.902818, 0.047400), 125: (124.904431, 0.070700), 126: (125.903312, 0.188400), 128: (127.904463, 0.317400), 130: (129.906224, 0.340800), }, 'Th': { 0: (232.038055, 100.000000), 228: (228.028741, 0.000000), 230: (230.033134, 0.000000), 232: (232.038055, 1.000000), }, 'Ti': { 0: (47.947946, 100.000000), 46: (45.952632, 0.082500), 47: (46.951763, 0.074400), 48: (47.947946, 0.737200), 49: (48.947870, 0.054100), 50: (49.944791, 0.051800), }, 'Tl': { 0: (204.974427, 100.000000), 201: (200.970819, 0.000000), 203: (202.972344, 0.295200), 205: (204.974427, 0.704800), }, 'Tm': { 0: (168.934213, 100.000000), 169: (168.934213, 1.000000), }, 'U': { 0: (238.050788, 100.000000), 233: (233.039635, 0.000000), 234: (234.040952, 0.000054), 235: (235.043930, 0.007204), 236: (236.045568, 0.000000), 238: (238.050788, 0.992742), }, 'V': { 0: (50.943959, 100.000000), 50: (49.947159, 0.002500), 51: (50.943959, 0.997500), }, 'W': { 0: (183.950931, 100.000000), 180: (179.946704, 0.001200), 182: (181.948204, 0.265000), 183: (182.950223, 0.143100), 184: (183.950931, 0.306400), 186: (185.954364, 0.284300), }, 'Xe': { 0: (131.904154, 100.000000), 124: (123.905893, 0.000952), 126: (125.904274, 0.000890), 128: (127.903531, 0.019102), 129: (128.904779, 0.264006), 130: (129.903508, 0.040710), 131: (130.905082, 0.212324), 132: (131.904154, 0.269086), 134: (133.905394, 0.104357), 136: (135.907219, 0.088573), }, 'Y': { 0: (88.905848, 100.000000), 89: (88.905848, 1.000000), }, 'Yb': { 0: (173.938862, 100.000000), 168: (167.933897, 0.001300), 169: (168.935190, 0.000000), 170: (169.934762, 0.030400), 171: (170.936326, 0.142800), 172: (171.936382, 0.218300), 173: (172.938211, 0.161300), 174: (173.938862, 0.318300), 176: (175.942572, 0.127600), }, 'Zn': { 0: (63.929142, 100.000000), 64: (63.929142, 0.482680), 65: (64.929241, 0.000000), 66: (65.926033, 0.279750), 67: (66.927127, 0.041020), 68: (67.924844, 0.190240), 70: (69.925319, 0.006310), }, 'Zr': { 0: (89.904704, 100.000000), 90: (89.904704, 0.514500), 91: (90.905646, 0.112200), 92: (91.905041, 0.171500), 94: (93.906315, 0.173800), 96: (95.908273, 0.028000), }, } """ A dict with the exact element masses downloaded from the NIST website: http://www.nist.gov/pml/data/comp.cfm . There are entries for each element containing the masses and relative abundances of several abundant isotopes and a separate entry for undefined isotope with zero key, mass of the most abundant isotope and 1.0 abundance. snagged from pyteomics """ nist_mass = { 'Ac': { 0: (227.000000, 1.000000), 206: (206.014500, 0.0), 207: (207.011950, 0.0), 208: (208.011550, 0.0), 209: (209.009490, 0.0), 210: (210.009440, 0.0), 211: (211.007730, 0.0), 212: (212.007810, 0.0), 213: (213.006610, 0.0), 214: (214.006902, 0.0), 215: (215.006454, 0.0), 216: (216.008720, 0.0), 217: (217.009347, 0.0), 218: (218.011640, 0.0), 219: (219.012420, 0.0), 220: (220.014763, 0.0), 221: (221.015590, 0.0), 222: (222.017844, 0.0), 223: (223.019137, 0.0), 224: (224.021723, 0.0), 225: (225.023230, 0.0), 226: (226.026098, 0.0), 227: (227.027752, 0.0), 228: (228.031021, 0.0), 229: (229.033020, 0.0), 230: (230.036290, 0.0), 231: (231.038560, 0.0), 232: (232.042030, 0.0), 233: (233.044550, 0.0), 234: (234.048420, 0.0), 235: (235.051230, 0.0), 236: (236.055300, 0.0), }, 'Ag': { 0: (106.905097, 1.000000), 93: (92.949780, 0.0), 94: (93.942780, 0.0), 95: (94.935480, 0.0), 96: (95.930680, 0.0), 97: (96.923970, 0.0), 98: (97.921570, 0.0), 99: (98.917600, 0.0), 100: (99.916100, 0.0), 101: (100.912800, 0.0), 102: (101.911690, 0.0), 103: (102.908973, 0.0), 104: (103.908629, 0.0), 105: (104.906529, 0.0), 106: (105.906669, 0.0), 107: (106.905097, 0.518390), 108: (107.905956, 0.0), 109: (108.904752, 0.481610), 110: (109.906107, 0.0), 111: (110.905291, 0.0), 112: (111.907005, 0.0), 113: (112.906567, 0.0), 114: (113.908804, 0.0), 115: (114.908760, 0.0), 116: (115.911360, 0.0), 117: (116.911680, 0.0), 118: (117.914580, 0.0), 119: (118.915670, 0.0), 120: (119.918790, 0.0), 121: (120.919850, 0.0), 122: (121.923530, 0.0), 123: (122.924900, 0.0), 124: (123.928640, 0.0), 125: (124.930430, 0.0), 126: (125.934500, 0.0), 127: (126.936770, 0.0), 128: (127.941170, 0.0), 129: (128.943690, 0.0), 130: (129.950450, 0.0), }, 'Al': { 0: (26.981539, 1.000000), 21: (21.028040, 0.0), 22: (22.019520, 0.0), 23: (23.007267, 0.0), 24: (23.999939, 0.0), 25: (24.990428, 0.0), 26: (25.986892, 0.0), 27: (26.981539, 1.000000), 28: (27.981910, 0.0), 29: (28.980445, 0.0), 30: (29.982960, 0.0), 31: (30.983947, 0.0), 32: (31.988120, 0.0), 33: (32.990840, 0.0), 34: (33.996850, 0.0), 35: (34.999860, 0.0), 36: (36.006210, 0.0), 37: (37.010680, 0.0), 38: (38.017230, 0.0), 39: (39.022970, 0.0), 40: (40.031450, 0.0), 41: (41.038330, 0.0), 42: (42.046890, 0.0), }, 'Am': { 0: (243.000000, 1.000000), 231: (231.045560, 0.0), 232: (232.046590, 0.0), 233: (233.046350, 0.0), 234: (234.047810, 0.0), 235: (235.047950, 0.0), 236: (236.049580, 0.0), 237: (237.050000, 0.0), 238: (238.051980, 0.0), 239: (239.053024, 0.0), 240: (240.055300, 0.0), 241: (241.056829, 0.0), 242: (242.059549, 0.0), 243: (243.061381, 0.0), 244: (244.064285, 0.0), 245: (245.066452, 0.0), 246: (246.069775, 0.0), 247: (247.072090, 0.0), 248: (248.075750, 0.0), 249: (249.078480, 0.0), }, 'Ar': { 0: (39.962383, 1.000000), 30: (30.021560, 0.0), 31: (31.012120, 0.0), 32: (31.997638, 0.0), 33: (32.989926, 0.0), 34: (33.980271, 0.0), 35: (34.975258, 0.0), 36: (35.967545, 0.003365), 37: (36.966776, 0.0), 38: (37.962732, 0.000632), 39: (38.964313, 0.0), 40: (39.962383, 0.996003), 41: (40.964501, 0.0), 42: (41.963046, 0.0), 43: (42.965636, 0.0), 44: (43.964924, 0.0), 45: (44.968040, 0.0), 46: (45.968090, 0.0), 47: (46.972190, 0.0), 48: (47.974540, 0.0), 49: (48.980520, 0.0), 50: (49.984430, 0.0), 51: (50.991630, 0.0), 52: (51.996780, 0.0), 53: (53.004940, 0.0), }, 'As': { 0: (74.921597, 1.000000), 60: (59.993130, 0.0), 61: (60.980620, 0.0), 62: (61.973200, 0.0), 63: (62.963690, 0.0), 64: (63.957570, 0.0), 65: (64.949560, 0.0), 66: (65.944710, 0.0), 67: (66.939190, 0.0), 68: (67.936770, 0.0), 69: (68.932270, 0.0), 70: (69.930920, 0.0), 71: (70.927112, 0.0), 72: (71.926752, 0.0), 73: (72.923825, 0.0), 74: (73.923929, 0.0), 75: (74.921597, 1.000000), 76: (75.922394, 0.0), 77: (76.920647, 0.0), 78: (77.921827, 0.0), 79: (78.920948, 0.0), 80: (79.922534, 0.0), 81: (80.922132, 0.0), 82: (81.924500, 0.0), 83: (82.924980, 0.0), 84: (83.929060, 0.0), 85: (84.932020, 0.0), 86: (85.936500, 0.0), 87: (86.939900, 0.0), 88: (87.944940, 0.0), 89: (88.949390, 0.0), 90: (89.955500, 0.0), 91: (90.960430, 0.0), 92: (91.966800, 0.0), }, 'At': { 0: (210.000000, 1.000000), 193: (192.999840, 0.0), 194: (193.998730, 0.0), 195: (194.996268, 0.0), 196: (195.995790, 0.0), 197: (196.993190, 0.0), 198: (197.992840, 0.0), 199: (198.990530, 0.0), 200: (199.990351, 0.0), 201: (200.988417, 0.0), 202: (201.988630, 0.0), 203: (202.986942, 0.0), 204: (203.987251, 0.0), 205: (204.986074, 0.0), 206: (205.986667, 0.0), 207: (206.985784, 0.0), 208: (207.986590, 0.0), 209: (208.986173, 0.0), 210: (209.987148, 0.0), 211: (210.987496, 0.0), 212: (211.990745, 0.0), 213: (212.992937, 0.0), 214: (213.996372, 0.0), 215: (214.998653, 0.0), 216: (216.002423, 0.0), 217: (217.004719, 0.0), 218: (218.008694, 0.0), 219: (219.011162, 0.0), 220: (220.015410, 0.0), 221: (221.018050, 0.0), 222: (222.022330, 0.0), 223: (223.025190, 0.0), }, 'Au': { 0: (196.966569, 1.000000), 169: (168.998080, 0.0), 170: (169.996120, 0.0), 171: (170.991879, 0.0), 172: (171.990040, 0.0), 173: (172.986237, 0.0), 174: (173.984760, 0.0), 175: (174.981270, 0.0), 176: (175.980100, 0.0), 177: (176.976865, 0.0), 178: (177.976030, 0.0), 179: (178.973213, 0.0), 180: (179.972521, 0.0), 181: (180.970079, 0.0), 182: (181.969618, 0.0), 183: (182.967593, 0.0), 184: (183.967452, 0.0), 185: (184.965789, 0.0), 186: (185.965953, 0.0), 187: (186.964568, 0.0), 188: (187.965324, 0.0), 189: (188.963948, 0.0), 190: (189.964700, 0.0), 191: (190.963700, 0.0), 192: (191.964813, 0.0), 193: (192.964150, 0.0), 194: (193.965365, 0.0), 195: (194.965035, 0.0), 196: (195.966570, 0.0), 197: (196.966569, 1.000000), 198: (197.968242, 0.0), 199: (198.968765, 0.0), 200: (199.970730, 0.0), 201: (200.971657, 0.0), 202: (201.973810, 0.0), 203: (202.975155, 0.0), 204: (203.977720, 0.0), 205: (204.979870, 0.0), }, 'B': { 0: (11.009305, 1.000000), 6: (6.046810, 0.0), 7: (7.029920, 0.0), 8: (8.024607, 0.0), 9: (9.013329, 0.0), 10: (10.012937, 0.199000), 11: (11.009305, 0.801000), 12: (12.014352, 0.0), 13: (13.017780, 0.0), 14: (14.025404, 0.0), 15: (15.031103, 0.0), 16: (16.039810, 0.0), 17: (17.046990, 0.0), 18: (18.056170, 0.0), 19: (19.063730, 0.0), }, 'Ba': { 0: (137.905247, 1.000000), 114: (113.950680, 0.0), 115: (114.947370, 0.0), 116: (115.941380, 0.0), 117: (116.938500, 0.0), 118: (117.933040, 0.0), 119: (118.930660, 0.0), 120: (119.926040, 0.0), 121: (120.924050, 0.0), 122: (121.919900, 0.0), 123: (122.918781, 0.0), 124: (123.915094, 0.0), 125: (124.914473, 0.0), 126: (125.911250, 0.0), 127: (126.911094, 0.0), 128: (127.908318, 0.0), 129: (128.908679, 0.0), 130: (129.906321, 0.001060), 131: (130.906941, 0.0), 132: (131.905061, 0.001010), 133: (132.906007, 0.0), 134: (133.904508, 0.024170), 135: (134.905689, 0.065920), 136: (135.904576, 0.078540), 137: (136.905827, 0.112320), 138: (137.905247, 0.716980), 139: (138.908841, 0.0), 140: (139.910605, 0.0), 141: (140.914411, 0.0), 142: (141.916453, 0.0), 143: (142.920627, 0.0), 144: (143.922953, 0.0), 145: (144.927630, 0.0), 146: (145.930220, 0.0), 147: (146.934950, 0.0), 148: (147.937720, 0.0), 149: (148.942580, 0.0), 150: (149.945680, 0.0), 151: (150.950810, 0.0), 152: (151.954270, 0.0), 153: (152.959610, 0.0), }, 'Be': { 0: (9.012182, 1.000000), 5: (5.040790, 0.0), 6: (6.019726, 0.0), 7: (7.016930, 0.0), 8: (8.005305, 0.0), 9: (9.012182, 1.000000), 10: (10.013534, 0.0), 11: (11.021658, 0.0), 12: (12.026921, 0.0), 13: (13.035690, 0.0), 14: (14.042890, 0.0), 15: (15.053460, 0.0), 16: (16.061920, 0.0), }, 'Bh': { 0: (272.000000, 1.000000), 260: (260.121970, 0.0), 261: (261.121660, 0.0), 262: (262.122890, 0.0), 263: (263.123040, 0.0), 264: (264.124600, 0.0), 265: (265.125150, 0.0), 266: (266.126940, 0.0), 267: (267.127650, 0.0), 268: (268.129760, 0.0), 269: (269.130690, 0.0), 270: (270.133620, 0.0), 271: (271.135180, 0.0), 272: (272.138030, 0.0), 273: (273.139620, 0.0), 274: (274.142440, 0.0), 275: (275.144250, 0.0), }, 'Bi': { 0: (208.980399, 1.000000), 184: (184.001120, 0.0), 185: (184.997630, 0.0), 186: (185.996600, 0.0), 187: (186.993158, 0.0), 188: (187.992270, 0.0), 189: (188.989200, 0.0), 190: (189.988300, 0.0), 191: (190.985786, 0.0), 192: (191.985460, 0.0), 193: (192.982960, 0.0), 194: (193.982830, 0.0), 195: (194.980651, 0.0), 196: (195.980667, 0.0), 197: (196.978864, 0.0), 198: (197.979210, 0.0), 199: (198.977672, 0.0), 200: (199.978132, 0.0), 201: (200.977009, 0.0), 202: (201.977742, 0.0), 203: (202.976876, 0.0), 204: (203.977813, 0.0), 205: (204.977389, 0.0), 206: (205.978499, 0.0), 207: (206.978471, 0.0), 208: (207.979742, 0.0), 209: (208.980399, 1.000000), 210: (209.984120, 0.0), 211: (210.987269, 0.0), 212: (211.991286, 0.0), 213: (212.994385, 0.0), 214: (213.998712, 0.0), 215: (215.001770, 0.0), 216: (216.006306, 0.0), 217: (217.009470, 0.0), 218: (218.014320, 0.0), }, 'Bk': { 0: (247.000000, 1.000000), 235: (235.056580, 0.0), 236: (236.057330, 0.0), 237: (237.057000, 0.0), 238: (238.058280, 0.0), 239: (239.058280, 0.0), 240: (240.059760, 0.0), 241: (241.060230, 0.0), 242: (242.061980, 0.0), 243: (243.063008, 0.0), 244: (244.065181, 0.0), 245: (245.066362, 0.0), 246: (246.068670, 0.0), 247: (247.070307, 0.0), 248: (248.073090, 0.0), 249: (249.074987, 0.0), 250: (250.078317, 0.0), 251: (251.080760, 0.0), 252: (252.084310, 0.0), 253: (253.086880, 0.0), 254: (254.090600, 0.0), }, 'Br': { 0: (78.918337, 1.000000), 67: (66.964790, 0.0), 68: (67.958520, 0.0), 69: (68.950110, 0.0), 70: (69.944790, 0.0), 71: (70.938740, 0.0), 72: (71.936640, 0.0), 73: (72.931690, 0.0), 74: (73.929891, 0.0), 75: (74.925776, 0.0), 76: (75.924541, 0.0), 77: (76.921379, 0.0), 78: (77.921146, 0.0), 79: (78.918337, 0.506900), 80: (79.918529, 0.0), 81: (80.916291, 0.493100), 82: (81.916804, 0.0), 83: (82.915180, 0.0), 84: (83.916479, 0.0), 85: (84.915608, 0.0), 86: (85.918798, 0.0), 87: (86.920711, 0.0), 88: (87.924070, 0.0), 89: (88.926390, 0.0), 90: (89.930630, 0.0), 91: (90.933970, 0.0), 92: (91.939260, 0.0), 93: (92.943050, 0.0), 94: (93.948680, 0.0), 95: (94.952870, 0.0), 96: (95.958530, 0.0), 97: (96.962800, 0.0), }, 'C': { 0: (12.000000, 1.000000), 8: (8.037675, 0.0), 9: (9.031037, 0.0), 10: (10.016853, 0.0), 11: (11.011434, 0.0), 12: (12.000000, 0.989300), 13: (13.003355, 0.010700), 14: (14.003242, 0.0), 15: (15.010599, 0.0), 16: (16.014701, 0.0), 17: (17.022586, 0.0), 18: (18.026760, 0.0), 19: (19.034810, 0.0), 20: (20.040320, 0.0), 21: (21.049340, 0.0), 22: (22.057200, 0.0), }, 'Ca': { 0: (39.962591, 1.000000), 34: (34.014120, 0.0), 35: (35.004940, 0.0), 36: (35.993090, 0.0), 37: (36.985870, 0.0), 38: (37.976318, 0.0), 39: (38.970720, 0.0), 40: (39.962591, 0.969410), 41: (40.962278, 0.0), 42: (41.958618, 0.006470), 43: (42.958767, 0.001350), 44: (43.955482, 0.020860), 45: (44.956187, 0.0), 46: (45.953693, 0.000040), 47: (46.954546, 0.0), 48: (47.952534, 0.001870), 49: (48.955674, 0.0), 50: (49.957519, 0.0), 51: (50.961500, 0.0), 52: (51.965100, 0.0), 53: (52.970050, 0.0), 54: (53.974350, 0.0), 55: (54.980550, 0.0), 56: (55.985570, 0.0), 57: (56.992360, 0.0), }, 'Cd': { 0: (113.903358, 1.000000), 95: (94.949870, 0.0), 96: (95.939770, 0.0), 97: (96.934940, 0.0), 98: (97.927400, 0.0), 99: (98.925010, 0.0), 100: (99.920290, 0.0), 101: (100.918680, 0.0), 102: (101.914460, 0.0), 103: (102.913419, 0.0), 104: (103.909849, 0.0), 105: (104.909468, 0.0), 106: (105.906459, 0.012500), 107: (106.906618, 0.0), 108: (107.904184, 0.008900), 109: (108.904982, 0.0), 110: (109.903002, 0.124900), 111: (110.904178, 0.128000), 112: (111.902758, 0.241300), 113: (112.904402, 0.122200), 114: (113.903358, 0.287300), 115: (114.905431, 0.0), 116: (115.904756, 0.074900), 117: (116.907219, 0.0), 118: (117.906915, 0.0), 119: (118.909920, 0.0), 120: (119.909850, 0.0), 121: (120.912980, 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0.0), }, 'Zn': { 0: (63.929142, 1.000000), 54: (53.992950, 0.0), 55: (54.983980, 0.0), 56: (55.972380, 0.0), 57: (56.964790, 0.0), 58: (57.954590, 0.0), 59: (58.949260, 0.0), 60: (59.941827, 0.0), 61: (60.939511, 0.0), 62: (61.934330, 0.0), 63: (62.933212, 0.0), 64: (63.929142, 0.482680), 65: (64.929241, 0.0), 66: (65.926033, 0.279750), 67: (66.927127, 0.041020), 68: (67.924844, 0.190240), 69: (68.926550, 0.0), 70: (69.925319, 0.006310), 71: (70.927722, 0.0), 72: (71.926858, 0.0), 73: (72.929780, 0.0), 74: (73.929460, 0.0), 75: (74.932940, 0.0), 76: (75.933290, 0.0), 77: (76.936960, 0.0), 78: (77.938440, 0.0), 79: (78.942650, 0.0), 80: (79.944340, 0.0), 81: (80.950480, 0.0), 82: (81.954420, 0.0), 83: (82.961030, 0.0), }, 'Zr': { 0: (89.904704, 1.000000), 78: (77.955230, 0.0), 79: (78.949160, 0.0), 80: (79.940400, 0.0), 81: (80.937210, 0.0), 82: (81.931090, 0.0), 83: (82.928650, 0.0), 84: (83.923250, 0.0), 85: (84.921470, 0.0), 86: (85.916470, 0.0), 87: (86.914816, 0.0), 88: (87.910227, 0.0), 89: (88.908890, 0.0), 90: (89.904704, 0.514500), 91: (90.905646, 0.112200), 92: (91.905041, 0.171500), 93: (92.906476, 0.0), 94: (93.906315, 0.173800), 95: (94.908043, 0.0), 96: (95.908273, 0.028000), 97: (96.910953, 0.0), 98: (97.912735, 0.0), 99: (98.916512, 0.0), 100: (99.917760, 0.0), 101: (100.921140, 0.0), 102: (101.922980, 0.0), 103: (102.926600, 0.0), 104: (103.928780, 0.0), 105: (104.933050, 0.0), 106: (105.935910, 0.0), 107: (106.940750, 0.0), 108: (107.943960, 0.0), 109: (108.949240, 0.0), 110: (109.952870, 0.0), }, 'e*': { 0: (0.000549, 1.000000), }, } if __name__ == '__main__': print(nist_mass['Pd'][0]) print(crc_mass['Pd'][0])