<filename>src/exojax/utils/isodata.py
"""Mass number and abundance list

- Taken from https://www.chem.ualberta.ca/~massspec/atomic_mass_abund.pdf The isotopic mass data is from <NAME>, <NAME> Nucl. Phys A. 1993, 565, 1-65 and <NAME>, <NAME> Nucl. Phys A. 1995, 595, 409-480.  The percent natural abundance data is from the 1997 report of the IUPAC Subcommittee for Isotopic Abundance Measurements by <NAME>, <NAME> Pure Appl. Chem. 1999, 71, 1593-1607.

"""
import pandas as pd
import io

mn = '''
isotope,mass_number,abundance,
#1,Hydrogen
1H,1.007825,99.9885,
2H,2.014102,0.0115,
3H,3.016049,nan,
#2,Helium
3He,3.016029,0.000137,
4He,4.002603,99.999863,
#3,Lithium
6Li,6.015122,7.59,
7Li,7.016004,92.41,
#4,Beryllium
9Be,9.012182,100,
#5,Boron
10B,10.012937,19.9,
11B,11.009305,80.1,
#6,Carbon
12C,12.000000,98.93,
13C,13.003355,1.07,
14C,14.003242,nan,
#7,Nitrogen
14N,14.003074,99.632,
15N,15.000109,0.368,
#8,Oxygen
16O,15.994915,99.757,
17O,16.999132,0.038,
18O,17.999160,0.205,
#9,Fluorine
19F,18.998403,100,
#10,Neon
20Ne,19.992440,90.48,
21Ne,20.993847,0.27,
22Ne,21.991386,9.25,
#11,Sodium
23Na,22.989770,100,
#12,Magnesium
24Mg,23.985042,78.99,
25Mg,24.985837,10.00,
26Mg,25.982593,11.01,
#13,Aluminum
27Al,26.981538,100,
#14,Silicon
28Si,27.976927,92.2297,
29Si,28.976495,4.6832,
30Si,29.973770,3.0872,
#15,Phosphorus
31P,30.973762,100,
#16,Sulphur
32S,31.972071,94.93,
33S,32.971458,0.76,
34S,33.967867,4.29,
36S,35.967081,0.02,
#17,Chlorine
35Cl,34.968853,75.78,
37Cl,36.965903,24.22,
#18,Argon
36Ar,35.967546,0.3365,
38Ar,37.962732,0.0632,
40Ar,39.962383,99.6003,
#19,Potassium
39K,38.963707,93.2581,
40K,39.963999,0.0117,
41K,40.961826,6.7302,
#20,Calcium
40Ca,39.962591,96.941,
42Ca,41.958618,0.647,
43Ca,42.958767,0.135,
44Ca,43.955481,2.086,
46Ca,45.953693,0.004,
48Ca,47.952534,0.187,
#21,Scandium
45Sc,44.955910,100,
#22,Titanium
46Ti,45.952629,8.25,
47Ti,46.951764,7.44,
48Ti,47.947947,73.72,
49Ti,48.947871,5.41,
50Ti,49.944792,5.18,
#23,Vanadium
50V,49.947163,0.250,
51V,50.943964,99.750,
#24,Chromium
50Cr,49.946050,4.345,
52Cr,51.940512,83.789,
53Cr,52.940654,9.501,
54Cr,53.938885,2.365,
#25,Manganese
55Mn,54.938050,100,
#26,Iron
54Fe,53.939615,5.845,
56Fe,55.934942,91.754,
57Fe,56.935399,2.119,
58Fe,57.933280,0.282,
#27,Cobalt
59Co,58.933200,100,
#28,Nickel
58Ni,57.935348,68.0769,
60Ni,59.930791,26.2231,
61Ni,60.931060,1.1399,
62Ni,61.928349,3.6345,
64Ni,63.927970,0.9256,
#29,Copper
63Cu,62.929601,69.17,
65Cu,64.927794,30.83,
#30,Zinc
64Zn,63.929147,48.63,
66Zn,65.926037,27.90,
67Zn,66.927131,4.10,
68Zn,67.924848,18.75,
70Zn,69.925325,0.62,
#31,Gallium
69Ga,68.925581,60.108,
71Ga,70.924705,39.892,
#32,Germanium
70Ge,69.924250,20.84,
72Ge,71.922076,27.54,
73Ge,72.923459,7.73,
74Ge,73.921178,36.28,
76Ge,75.921403,7.61,
#33,Arsenic
75As,74.921596,100,
#34,Selenium
74Se,73.922477,0.89,
76Se,75.919214,9.37,
77Se,76.919915,7.63,
78Se,77.917310,23.77,
80Se,79.916522,49.61,
82Se,81.916700,8.73,
#35,Bromine
79Br,78.918338,50.69,
81Br,80.916291,49.31,
#36,Krypton
78Kr,77.920386,0.35,
80Kr,79.916378,2.28,
82Kr,81.913485,11.58,
83Kr,82.914136,11.49,
84Kr,83.911507,57.00,
86Kr,85.910610,17.30,
#37,Rubidium
85Rb,84.911789,72.17,
87Rb,86.909183,27.83,
#38,Strontium
84Sr,83.913425,0.56,
86Sr,85.909262,9.86,
87Sr,86.908879,7.00,
88Sr,87.905614,82.58,
#39,Yttrium
89Y,88.905848,100,
#40,Zirconium
90Zr,89.904704,51.45,
91Zr,90.905645,11.22,
92Zr,91.905040,17.15,
94Zr,93.906316,17.38,
96Zr,95.908276,2.80,
#41,Niobium
93Nb,92.906378,100,
#42,Molybdenum
92Mo,91.906810,14.84,
94Mo,93.905088,9.25,
95Mo,94.905841,15.92,
96Mo,95.904679,16.68,
97Mo,96.906021,9.55,
98Mo,97.905408,24.13,
100Mo,99.907477,9.63,
#43,Technetium
98Tc,97.907216,nan,
#44,Ruthenium
96Ru,95.907598,5.54,
98Ru,97.905287,1.87,
99Ru,98.905939,12.76,
100Ru,99.904220,12.60,
101Ru,100.905582,17.06,
102Ru,101.904350,31.55,
104Ru,103.905430,18.62,
#45,Rhodium
103Rh,102.905504,100,
#46,Palladium
102Pd,101.905608,1.02,
104Pd,103.904035,11.14,
105Pd,104.905084,22.33,
106Pd,105.903483,27.33,
108Pd,107.903894,26.46,
110Pd,109.905152,11.72,
#47,Silver
107Ag,106.905093,51.839,
109Ag,108.904756,48.161,
#48,Cadmium
106Cd,105.906458,1.25,
108Cd,107.904183,0.89,
110Cd,109.903006,12.49,
111Cd,110.904182,12.80
112Cd,111.902757,24.13,
113Cd,112.904401,12.22,
114Cd,113.903358,28.73,
116Cd,115.904755,7.49,
#49,Indium
113In,112.904061,4.29,
115In,114.903878,95.71,
#50,Tin
112Sn,111.904821,0.97,
114Sn,113.902782,0.66,
115Sn,114.903346,0.34,
116Sn,115.901744,14.54,
117Sn,116.902954,7.68,
118Sn,117.901606,24.22,
119Sn,118.903309,8.59,
120Sn,119.902197,32.58,
122Sn,121.903440,4.63,
124Sn,123.905275,5.79,
#51,Antimony
121Sb,120.903818,57.21,
123Sb,122.904216,42.79,
#52,Tellurium
120Te,119.904020,0.09,
122Te,121.903047,2.55,
123Te,122.904273,0.89,
124Te,123.902819,4.74,
125Te,124.904425,7.07,
126Te,125.903306,18.84,
128Te,127.904461,31.74,
130Te,129.906223,34.08,
#53,Iodine
127I,126.904468,100,
#54,Xenon
124Xe,123.905896,0.09,
126Xe,125.904269,0.09,
128Xe,127.903530,1.92,
129Xe,128.904779,26.44,
130Xe,129.903508,4.08,
131Xe,130.905082,21.18,
132Xe,131.904154,26.89,
134Xe,133.905395,10.44,
136Xe,135.907220,8.87,
#55,Cesium
133Cs,132.905447,100,
#56,Barium
130Ba,129.906310,0.106,
132Ba,131.905056,0.101,
134Ba,133.904503,2.417,
135Ba,134.905683,6.592,
136Ba,135.904570,7.854,
137Ba,136.905821,11.232,
138Ba,137.905241,71.698,
#57,Lanthanum
138La,137.907107,0.090,
139La,138.906348,99.910,
#58,Cerium
136Ce,135.907144,0.185,
138Ce,137.905986,0.251,
140Ce,139.905434,88.450,
142Ce,141.909240,11.114,
#59,Praseodymium
141Pr,140.907648,100,
#60,Neodymium
142Nd,141.907719,27.2,
143Nd,142.909810,12.2,
144Nd,143.910083,23.8,
145Nd,144.912569,8.3,
146Nd,145.913112,17.2,
148Nd,147.916889,5.7,
150Nd,149.920887,5.6,
#61,Promethium
145Pm,144.912744,nan,
#62,Samarium
144Sm,143.911995,3.07,
147Sm,146.914893,14.99,
148Sm,147.914818,11.24,
149Sm,148.917180,13.82,
150Sm,149.917271,7.38,
152Sm,151.919728,26.75,
154Sm,153.922205,22.75,
#63,Europium
151Eu,150.919846,47.81,
153Eu,152.921226,52.19,
#64,Gadolinium
152Gd,151.919788,0.20,
154Gd,153.920862,2.18,
155Gd,154.922619,14.80,
156Gd,155.922120,20.47,
157Gd,156.923957,15.65,
158Gd,157.924101,24.84,
160Gd,159.927051,21.86,
#65,Terbium
159Tb,158.925343,100,
#66,Dysprosium
156Dy,155.924278,0.06,
158Dy,157.924405,0.10,
160Dy,159.925194,2.34,
161Dy,160.926930,18.91,
162Dy,161.926795,25.51,
163Dy,162.928728,24.90,
164Dy,163.929171,28.18,
#67,Holmium
165Ho,164.930319,100,
#68,Erbium
162Er,161.928775,0.14,
164Er,163.929197,1.61,
166Er,165.930290,33.61,
167Er,166.932045,22.93,
168Er,167.932368,26.78,
170Er,169.935460,14.93,
#69,Thulium
169Tm,168.934211,100,
#70,Ytterbium
168Yb,167.933894,0.13,
170Yb,169.934759,3.04,
171Yb,170.936322,14.28,
172Yb,171.936378,21.83,
173Yb,172.938207,16.13,
174Yb,173.938858,31.83,
176Yb,175.942568,12.76,
#71,Lutetium
175Lu,174.940768,97.41,
176Lu,175.942682,2.59,
#72,Hafnium
174Hf,173.940040,0.16,
176Hf,175.941402,5.26,
177Hf,176.943220,18.60,
178Hf,177.943698,27.28,
179Hf,178.945815,13.62,
180Hf,179.946549,35.08,
#73,Tantalum
180Ta,179.947466,0.012,
181Ta,180.947996,99.988,
#74,Tungsten
180W,179.946706,0.12,
182W,181.948206,26.50,
183W,182.950224,14.31,
184W,183.950933,30.64,
186W,185.954362,28.43,
#75,Rhenium
185Re,184.952956,37.40,
187Re,186.955751,62.60,
#76,Osmium
184Os,183.952491,0.02,
186Os,185.953838,1.59,
187Os,186.955748,1.96,
188Os,187.955836,13.24,
189Os,188.958145,16.15,
190Os,189.958445,26.26,
192Os,191.961479,40.78,
#77,Iridium
191Ir,190.960591,37.3,
193Ir,192.962924,62.7,
#78,Platinum
190Pt,189.959930,0.014,
192Pt,191.961035,0.782,
194Pt,193.962664,32.967,
195Pt,194.964774,33.832,
196Pt,195.964935,25.242,
198Pt,197.967876,7.163,
#79,Gold
197Au,196.966552,100,
#80,Mercury
196Hg,195.965815,0.15,
198Hg,197.966752,9.97,
199Hg,198.968262,16.87,
200Hg,199.968309,23.10,
201Hg,200.970285,13.18,
202Hg,201.970626,29.86,
204Hg,203.973476,6.87,
#81,Thallium
203Tl,202.972329,29.524,
205Tl,204.974412,70.476,
#82,Lead
204Pb,203.973029,1.4,
206Pb,205.974449,24.1,
207Pb,206.975881,22.1,
208Pb,207.976636,52.4,
#83,Bismuth
209Bi,208.980383,100,
#84,Polonium
209Po,208.982416,nan,
#85,Astatine
210At,209.987131,nan,
#86,Radon
222Rn,222.017570,nan,
#87,Francium
223Fr,223.019731,nan,
#88,Radium
226Ra,226.025403,nan,
#89,Actinium
227Ac,227.027747,nan,
#90,Thorium
232Th,232.038050,100,
#91,Protactinium
231Pa,231.035879,100,
#92,Uranium
234U,234.040946,0.0055,
235U,235.043923,0.7200,
238U,238.050783,99.2745
'''

def read_mnlist():
    """ loading mass number list

    Returns:
        dictionary of mass number, keys="isotope","mass_number","abundance"

    """
    mnlist=pd.read_csv(io.StringIO(mn),delimiter=",",comment="#",usecols=(0,1,2))
    return mnlist

<filename>src/exojax/utils/isodata.py
"""Mass number and abundance list

- Taken from https://www.chem.ualberta.ca/~massspec/atomic_mass_abund.pdf The isotopic mass data is from <NAME>, <NAME> Nucl. Phys A. 1993, 565, 1-65 and <NAME>, <NAME> Nucl. Phys A. 1995, 595, 409-480.  The percent natural abundance data is from the 1997 report of the IUPAC Subcommittee for Isotopic Abundance Measurements by <NAME>, <NAME> Pure Appl. Chem. 1999, 71, 1593-1607.

"""
import pandas as pd
import io

mn = '''
isotope,mass_number,abundance,
#1,Hydrogen
1H,1.007825,99.9885,
2H,2.014102,0.0115,
3H,3.016049,nan,
#2,Helium
3He,3.016029,0.000137,
4He,4.002603,99.999863,
#3,Lithium
6Li,6.015122,7.59,
7Li,7.016004,92.41,
#4,Beryllium
9Be,9.012182,100,
#5,Boron
10B,10.012937,19.9,
11B,11.009305,80.1,
#6,Carbon
12C,12.000000,98.93,
13C,13.003355,1.07,
14C,14.003242,nan,
#7,Nitrogen
14N,14.003074,99.632,
15N,15.000109,0.368,
#8,Oxygen
16O,15.994915,99.757,
17O,16.999132,0.038,
18O,17.999160,0.205,
#9,Fluorine
19F,18.998403,100,
#10,Neon
20Ne,19.992440,90.48,
21Ne,20.993847,0.27,
22Ne,21.991386,9.25,
#11,Sodium
23Na,22.989770,100,
#12,Magnesium
24Mg,23.985042,78.99,
25Mg,24.985837,10.00,
26Mg,25.982593,11.01,
#13,Aluminum
27Al,26.981538,100,
#14,Silicon
28Si,27.976927,92.2297,
29Si,28.976495,4.6832,
30Si,29.973770,3.0872,
#15,Phosphorus
31P,30.973762,100,
#16,Sulphur
32S,31.972071,94.93,
33S,32.971458,0.76,
34S,33.967867,4.29,
36S,35.967081,0.02,
#17,Chlorine
35Cl,34.968853,75.78,
37Cl,36.965903,24.22,
#18,Argon
36Ar,35.967546,0.3365,
38Ar,37.962732,0.0632,
40Ar,39.962383,99.6003,
#19,Potassium
39K,38.963707,93.2581,
40K,39.963999,0.0117,
41K,40.961826,6.7302,
#20,Calcium
40Ca,39.962591,96.941,
42Ca,41.958618,0.647,
43Ca,42.958767,0.135,
44Ca,43.955481,2.086,
46Ca,45.953693,0.004,
48Ca,47.952534,0.187,
#21,Scandium
45Sc,44.955910,100,
#22,Titanium
46Ti,45.952629,8.25,
47Ti,46.951764,7.44,
48Ti,47.947947,73.72,
49Ti,48.947871,5.41,
50Ti,49.944792,5.18,
#23,Vanadium
50V,49.947163,0.250,
51V,50.943964,99.750,
#24,Chromium
50Cr,49.946050,4.345,
52Cr,51.940512,83.789,
53Cr,52.940654,9.501,
54Cr,53.938885,2.365,
#25,Manganese
55Mn,54.938050,100,
#26,Iron
54Fe,53.939615,5.845,
56Fe,55.934942,91.754,
57Fe,56.935399,2.119,
58Fe,57.933280,0.282,
#27,Cobalt
59Co,58.933200,100,
#28,Nickel
58Ni,57.935348,68.0769,
60Ni,59.930791,26.2231,
61Ni,60.931060,1.1399,
62Ni,61.928349,3.6345,
64Ni,63.927970,0.9256,
#29,Copper
63Cu,62.929601,69.17,
65Cu,64.927794,30.83,
#30,Zinc
64Zn,63.929147,48.63,
66Zn,65.926037,27.90,
67Zn,66.927131,4.10,
68Zn,67.924848,18.75,
70Zn,69.925325,0.62,
#31,Gallium
69Ga,68.925581,60.108,
71Ga,70.924705,39.892,
#32,Germanium
70Ge,69.924250,20.84,
72Ge,71.922076,27.54,
73Ge,72.923459,7.73,
74Ge,73.921178,36.28,
76Ge,75.921403,7.61,
#33,Arsenic
75As,74.921596,100,
#34,Selenium
74Se,73.922477,0.89,
76Se,75.919214,9.37,
77Se,76.919915,7.63,
78Se,77.917310,23.77,
80Se,79.916522,49.61,
82Se,81.916700,8.73,
#35,Bromine
79Br,78.918338,50.69,
81Br,80.916291,49.31,
#36,Krypton
78Kr,77.920386,0.35,
80Kr,79.916378,2.28,
82Kr,81.913485,11.58,
83Kr,82.914136,11.49,
84Kr,83.911507,57.00,
86Kr,85.910610,17.30,
#37,Rubidium
85Rb,84.911789,72.17,
87Rb,86.909183,27.83,
#38,Strontium
84Sr,83.913425,0.56,
86Sr,85.909262,9.86,
87Sr,86.908879,7.00,
88Sr,87.905614,82.58,
#39,Yttrium
89Y,88.905848,100,
#40,Zirconium
90Zr,89.904704,51.45,
91Zr,90.905645,11.22,
92Zr,91.905040,17.15,
94Zr,93.906316,17.38,
96Zr,95.908276,2.80,
#41,Niobium
93Nb,92.906378,100,
#42,Molybdenum
92Mo,91.906810,14.84,
94Mo,93.905088,9.25,
95Mo,94.905841,15.92,
96Mo,95.904679,16.68,
97Mo,96.906021,9.55,
98Mo,97.905408,24.13,
100Mo,99.907477,9.63,
#43,Technetium
98Tc,97.907216,nan,
#44,Ruthenium
96Ru,95.907598,5.54,
98Ru,97.905287,1.87,
99Ru,98.905939,12.76,
100Ru,99.904220,12.60,
101Ru,100.905582,17.06,
102Ru,101.904350,31.55,
104Ru,103.905430,18.62,
#45,Rhodium
103Rh,102.905504,100,
#46,Palladium
102Pd,101.905608,1.02,
104Pd,103.904035,11.14,
105Pd,104.905084,22.33,
106Pd,105.903483,27.33,
108Pd,107.903894,26.46,
110Pd,109.905152,11.72,
#47,Silver
107Ag,106.905093,51.839,
109Ag,108.904756,48.161,
#48,Cadmium
106Cd,105.906458,1.25,
108Cd,107.904183,0.89,
110Cd,109.903006,12.49,
111Cd,110.904182,12.80
112Cd,111.902757,24.13,
113Cd,112.904401,12.22,
114Cd,113.903358,28.73,
116Cd,115.904755,7.49,
#49,Indium
113In,112.904061,4.29,
115In,114.903878,95.71,
#50,Tin
112Sn,111.904821,0.97,
114Sn,113.902782,0.66,
115Sn,114.903346,0.34,
116Sn,115.901744,14.54,
117Sn,116.902954,7.68,
118Sn,117.901606,24.22,
119Sn,118.903309,8.59,
120Sn,119.902197,32.58,
122Sn,121.903440,4.63,
124Sn,123.905275,5.79,
#51,Antimony
121Sb,120.903818,57.21,
123Sb,122.904216,42.79,
#52,Tellurium
120Te,119.904020,0.09,
122Te,121.903047,2.55,
123Te,122.904273,0.89,
124Te,123.902819,4.74,
125Te,124.904425,7.07,
126Te,125.903306,18.84,
128Te,127.904461,31.74,
130Te,129.906223,34.08,
#53,Iodine
127I,126.904468,100,
#54,Xenon
124Xe,123.905896,0.09,
126Xe,125.904269,0.09,
128Xe,127.903530,1.92,
129Xe,128.904779,26.44,
130Xe,129.903508,4.08,
131Xe,130.905082,21.18,
132Xe,131.904154,26.89,
134Xe,133.905395,10.44,
136Xe,135.907220,8.87,
#55,Cesium
133Cs,132.905447,100,
#56,Barium
130Ba,129.906310,0.106,
132Ba,131.905056,0.101,
134Ba,133.904503,2.417,
135Ba,134.905683,6.592,
136Ba,135.904570,7.854,
137Ba,136.905821,11.232,
138Ba,137.905241,71.698,
#57,Lanthanum
138La,137.907107,0.090,
139La,138.906348,99.910,
#58,Cerium
136Ce,135.907144,0.185,
138Ce,137.905986,0.251,
140Ce,139.905434,88.450,
142Ce,141.909240,11.114,
#59,Praseodymium
141Pr,140.907648,100,
#60,Neodymium
142Nd,141.907719,27.2,
143Nd,142.909810,12.2,
144Nd,143.910083,23.8,
145Nd,144.912569,8.3,
146Nd,145.913112,17.2,
148Nd,147.916889,5.7,
150Nd,149.920887,5.6,
#61,Promethium
145Pm,144.912744,nan,
#62,Samarium
144Sm,143.911995,3.07,
147Sm,146.914893,14.99,
148Sm,147.914818,11.24,
149Sm,148.917180,13.82,
150Sm,149.917271,7.38,
152Sm,151.919728,26.75,
154Sm,153.922205,22.75,
#63,Europium
151Eu,150.919846,47.81,
153Eu,152.921226,52.19,
#64,Gadolinium
152Gd,151.919788,0.20,
154Gd,153.920862,2.18,
155Gd,154.922619,14.80,
156Gd,155.922120,20.47,
157Gd,156.923957,15.65,
158Gd,157.924101,24.84,
160Gd,159.927051,21.86,
#65,Terbium
159Tb,158.925343,100,
#66,Dysprosium
156Dy,155.924278,0.06,
158Dy,157.924405,0.10,
160Dy,159.925194,2.34,
161Dy,160.926930,18.91,
162Dy,161.926795,25.51,
163Dy,162.928728,24.90,
164Dy,163.929171,28.18,
#67,Holmium
165Ho,164.930319,100,
#68,Erbium
162Er,161.928775,0.14,
164Er,163.929197,1.61,
166Er,165.930290,33.61,
167Er,166.932045,22.93,
168Er,167.932368,26.78,
170Er,169.935460,14.93,
#69,Thulium
169Tm,168.934211,100,
#70,Ytterbium
168Yb,167.933894,0.13,
170Yb,169.934759,3.04,
171Yb,170.936322,14.28,
172Yb,171.936378,21.83,
173Yb,172.938207,16.13,
174Yb,173.938858,31.83,
176Yb,175.942568,12.76,
#71,Lutetium
175Lu,174.940768,97.41,
176Lu,175.942682,2.59,
#72,Hafnium
174Hf,173.940040,0.16,
176Hf,175.941402,5.26,
177Hf,176.943220,18.60,
178Hf,177.943698,27.28,
179Hf,178.945815,13.62,
180Hf,179.946549,35.08,
#73,Tantalum
180Ta,179.947466,0.012,
181Ta,180.947996,99.988,
#74,Tungsten
180W,179.946706,0.12,
182W,181.948206,26.50,
183W,182.950224,14.31,
184W,183.950933,30.64,
186W,185.954362,28.43,
#75,Rhenium
185Re,184.952956,37.40,
187Re,186.955751,62.60,
#76,Osmium
184Os,183.952491,0.02,
186Os,185.953838,1.59,
187Os,186.955748,1.96,
188Os,187.955836,13.24,
189Os,188.958145,16.15,
190Os,189.958445,26.26,
192Os,191.961479,40.78,
#77,Iridium
191Ir,190.960591,37.3,
193Ir,192.962924,62.7,
#78,Platinum
190Pt,189.959930,0.014,
192Pt,191.961035,0.782,
194Pt,193.962664,32.967,
195Pt,194.964774,33.832,
196Pt,195.964935,25.242,
198Pt,197.967876,7.163,
#79,Gold
197Au,196.966552,100,
#80,Mercury
196Hg,195.965815,0.15,
198Hg,197.966752,9.97,
199Hg,198.968262,16.87,
200Hg,199.968309,23.10,
201Hg,200.970285,13.18,
202Hg,201.970626,29.86,
204Hg,203.973476,6.87,
#81,Thallium
203Tl,202.972329,29.524,
205Tl,204.974412,70.476,
#82,Lead
204Pb,203.973029,1.4,
206Pb,205.974449,24.1,
207Pb,206.975881,22.1,
208Pb,207.976636,52.4,
#83,Bismuth
209Bi,208.980383,100,
#84,Polonium
209Po,208.982416,nan,
#85,Astatine
210At,209.987131,nan,
#86,Radon
222Rn,222.017570,nan,
#87,Francium
223Fr,223.019731,nan,
#88,Radium
226Ra,226.025403,nan,
#89,Actinium
227Ac,227.027747,nan,
#90,Thorium
232Th,232.038050,100,
#91,Protactinium
231Pa,231.035879,100,
#92,Uranium
234U,234.040946,0.0055,
235U,235.043923,0.7200,
238U,238.050783,99.2745
'''

def read_mnlist():
    """ loading mass number list

    Returns:
        dictionary of mass number, keys="isotope","mass_number","abundance"

    """
    mnlist=pd.read_csv(io.StringIO(mn),delimiter=",",comment="#",usecols=(0,1,2))
    return mnlist

Mass number and abundance list  - Taken from https://www.chem.ualberta.ca/~massspec/atomic_mass_abund.pdf The isotopic mass data is from <NAME>, <NAME> Nucl. Phys A. 1993, 565, 1-65 and <NAME>, <NAME> Nucl. Phys A. 1995, 595, 409-480.  The percent natural abundance data is from the 1997 report of the IUPAC Subcommittee for Isotopic Abundance Measurements by <NAME>, <NAME> Pure Appl. Chem. 1999, 71, 1593-1607. isotope,mass_number,abundance, #1,Hydrogen 1H,1.007825,99.9885, 2H,2.014102,0.0115, 3H,3.016049,nan, #2,Helium 3He,3.016029,0.000137, 4He,4.002603,99.999863, #3,Lithium 6Li,6.015122,7.59, 7Li,7.016004,92.41, #4,Beryllium 9Be,9.012182,100, #5,Boron 10B,10.012937,19.9, 11B,11.009305,80.1, #6,Carbon 12C,12.000000,98.93, 13C,13.003355,1.07, 14C,14.003242,nan, #7,Nitrogen 14N,14.003074,99.632, 15N,15.000109,0.368, #8,Oxygen 16O,15.994915,99.757, 17O,16.999132,0.038, 18O,17.999160,0.205, #9,Fluorine 19F,18.998403,100, #10,Neon 20Ne,19.992440,90.48, 21Ne,20.993847,0.27, 22Ne,21.991386,9.25, #11,Sodium 23Na,22.989770,100, #12,Magnesium 24Mg,23.985042,78.99, 25Mg,24.985837,10.00, 26Mg,25.982593,11.01, #13,Aluminum 27Al,26.981538,100, #14,Silicon 28Si,27.976927,92.2297, 29Si,28.976495,4.6832, 30Si,29.973770,3.0872, #15,Phosphorus 31P,30.973762,100, #16,Sulphur 32S,31.972071,94.93, 33S,32.971458,0.76, 34S,33.967867,4.29, 36S,35.967081,0.02, #17,Chlorine 35Cl,34.968853,75.78, 37Cl,36.965903,24.22, #18,Argon 36Ar,35.967546,0.3365, 38Ar,37.962732,0.0632, 40Ar,39.962383,99.6003, #19,Potassium 39K,38.963707,93.2581, 40K,39.963999,0.0117, 41K,40.961826,6.7302, #20,Calcium 40Ca,39.962591,96.941, 42Ca,41.958618,0.647, 43Ca,42.958767,0.135, 44Ca,43.955481,2.086, 46Ca,45.953693,0.004, 48Ca,47.952534,0.187, #21,Scandium 45Sc,44.955910,100, #22,Titanium 46Ti,45.952629,8.25, 47Ti,46.951764,7.44, 48Ti,47.947947,73.72, 49Ti,48.947871,5.41, 50Ti,49.944792,5.18, #23,Vanadium 50V,49.947163,0.250, 51V,50.943964,99.750, #24,Chromium 50Cr,49.946050,4.345, 52Cr,51.940512,83.789, 53Cr,52.940654,9.501, 54Cr,53.938885,2.365, #25,Manganese 55Mn,54.938050,100, #26,Iron 54Fe,53.939615,5.845, 56Fe,55.934942,91.754, 57Fe,56.935399,2.119, 58Fe,57.933280,0.282, #27,Cobalt 59Co,58.933200,100, #28,Nickel 58Ni,57.935348,68.0769, 60Ni,59.930791,26.2231, 61Ni,60.931060,1.1399, 62Ni,61.928349,3.6345, 64Ni,63.927970,0.9256, #29,Copper 63Cu,62.929601,69.17, 65Cu,64.927794,30.83, #30,Zinc 64Zn,63.929147,48.63, 66Zn,65.926037,27.90, 67Zn,66.927131,4.10, 68Zn,67.924848,18.75, 70Zn,69.925325,0.62, #31,Gallium 69Ga,68.925581,60.108, 71Ga,70.924705,39.892, #32,Germanium 70Ge,69.924250,20.84, 72Ge,71.922076,27.54, 73Ge,72.923459,7.73, 74Ge,73.921178,36.28, 76Ge,75.921403,7.61, #33,Arsenic 75As,74.921596,100, #34,Selenium 74Se,73.922477,0.89, 76Se,75.919214,9.37, 77Se,76.919915,7.63, 78Se,77.917310,23.77, 80Se,79.916522,49.61, 82Se,81.916700,8.73, #35,Bromine 79Br,78.918338,50.69, 81Br,80.916291,49.31, #36,Krypton 78Kr,77.920386,0.35, 80Kr,79.916378,2.28, 82Kr,81.913485,11.58, 83Kr,82.914136,11.49, 84Kr,83.911507,57.00, 86Kr,85.910610,17.30, #37,Rubidium 85Rb,84.911789,72.17, 87Rb,86.909183,27.83, #38,Strontium 84Sr,83.913425,0.56, 86Sr,85.909262,9.86, 87Sr,86.908879,7.00, 88Sr,87.905614,82.58, #39,Yttrium 89Y,88.905848,100, #40,Zirconium 90Zr,89.904704,51.45, 91Zr,90.905645,11.22, 92Zr,91.905040,17.15, 94Zr,93.906316,17.38, 96Zr,95.908276,2.80, #41,Niobium 93Nb,92.906378,100, #42,Molybdenum 92Mo,91.906810,14.84, 94Mo,93.905088,9.25, 95Mo,94.905841,15.92, 96Mo,95.904679,16.68, 97Mo,96.906021,9.55, 98Mo,97.905408,24.13, 100Mo,99.907477,9.63, #43,Technetium 98Tc,97.907216,nan, #44,Ruthenium 96Ru,95.907598,5.54, 98Ru,97.905287,1.87, 99Ru,98.905939,12.76, 100Ru,99.904220,12.60, 101Ru,100.905582,17.06, 102Ru,101.904350,31.55, 104Ru,103.905430,18.62, #45,Rhodium 103Rh,102.905504,100, #46,Palladium 102Pd,101.905608,1.02, 104Pd,103.904035,11.14, 105Pd,104.905084,22.33, 106Pd,105.903483,27.33, 108Pd,107.903894,26.46, 110Pd,109.905152,11.72, #47,Silver 107Ag,106.905093,51.839, 109Ag,108.904756,48.161, #48,Cadmium 106Cd,105.906458,1.25, 108Cd,107.904183,0.89, 110Cd,109.903006,12.49, 111Cd,110.904182,12.80 112Cd,111.902757,24.13, 113Cd,112.904401,12.22, 114Cd,113.903358,28.73, 116Cd,115.904755,7.49, #49,Indium 113In,112.904061,4.29, 115In,114.903878,95.71, #50,Tin 112Sn,111.904821,0.97, 114Sn,113.902782,0.66, 115Sn,114.903346,0.34, 116Sn,115.901744,14.54, 117Sn,116.902954,7.68, 118Sn,117.901606,24.22, 119Sn,118.903309,8.59, 120Sn,119.902197,32.58, 122Sn,121.903440,4.63, 124Sn,123.905275,5.79, #51,Antimony 121Sb,120.903818,57.21, 123Sb,122.904216,42.79, #52,Tellurium 120Te,119.904020,0.09, 122Te,121.903047,2.55, 123Te,122.904273,0.89, 124Te,123.902819,4.74, 125Te,124.904425,7.07, 126Te,125.903306,18.84, 128Te,127.904461,31.74, 130Te,129.906223,34.08, #53,Iodine 127I,126.904468,100, #54,Xenon 124Xe,123.905896,0.09, 126Xe,125.904269,0.09, 128Xe,127.903530,1.92, 129Xe,128.904779,26.44, 130Xe,129.903508,4.08, 131Xe,130.905082,21.18, 132Xe,131.904154,26.89, 134Xe,133.905395,10.44, 136Xe,135.907220,8.87, #55,Cesium 133Cs,132.905447,100, #56,Barium 130Ba,129.906310,0.106, 132Ba,131.905056,0.101, 134Ba,133.904503,2.417, 135Ba,134.905683,6.592, 136Ba,135.904570,7.854, 137Ba,136.905821,11.232, 138Ba,137.905241,71.698, #57,Lanthanum 138La,137.907107,0.090, 139La,138.906348,99.910, #58,Cerium 136Ce,135.907144,0.185, 138Ce,137.905986,0.251, 140Ce,139.905434,88.450, 142Ce,141.909240,11.114, #59,Praseodymium 141Pr,140.907648,100, #60,Neodymium 142Nd,141.907719,27.2, 143Nd,142.909810,12.2, 144Nd,143.910083,23.8, 145Nd,144.912569,8.3, 146Nd,145.913112,17.2, 148Nd,147.916889,5.7, 150Nd,149.920887,5.6, #61,Promethium 145Pm,144.912744,nan, #62,Samarium 144Sm,143.911995,3.07, 147Sm,146.914893,14.99, 148Sm,147.914818,11.24, 149Sm,148.917180,13.82, 150Sm,149.917271,7.38, 152Sm,151.919728,26.75, 154Sm,153.922205,22.75, #63,Europium 151Eu,150.919846,47.81, 153Eu,152.921226,52.19, #64,Gadolinium 152Gd,151.919788,0.20, 154Gd,153.920862,2.18, 155Gd,154.922619,14.80, 156Gd,155.922120,20.47, 157Gd,156.923957,15.65, 158Gd,157.924101,24.84, 160Gd,159.927051,21.86, #65,Terbium 159Tb,158.925343,100, #66,Dysprosium 156Dy,155.924278,0.06, 158Dy,157.924405,0.10, 160Dy,159.925194,2.34, 161Dy,160.926930,18.91, 162Dy,161.926795,25.51, 163Dy,162.928728,24.90, 164Dy,163.929171,28.18, #67,Holmium 165Ho,164.930319,100, #68,Erbium 162Er,161.928775,0.14, 164Er,163.929197,1.61, 166Er,165.930290,33.61, 167Er,166.932045,22.93, 168Er,167.932368,26.78, 170Er,169.935460,14.93, #69,Thulium 169Tm,168.934211,100, #70,Ytterbium 168Yb,167.933894,0.13, 170Yb,169.934759,3.04, 171Yb,170.936322,14.28, 172Yb,171.936378,21.83, 173Yb,172.938207,16.13, 174Yb,173.938858,31.83, 176Yb,175.942568,12.76, #71,Lutetium 175Lu,174.940768,97.41, 176Lu,175.942682,2.59, #72,Hafnium 174Hf,173.940040,0.16, 176Hf,175.941402,5.26, 177Hf,176.943220,18.60, 178Hf,177.943698,27.28, 179Hf,178.945815,13.62, 180Hf,179.946549,35.08, #73,Tantalum 180Ta,179.947466,0.012, 181Ta,180.947996,99.988, #74,Tungsten 180W,179.946706,0.12, 182W,181.948206,26.50, 183W,182.950224,14.31, 184W,183.950933,30.64, 186W,185.954362,28.43, #75,Rhenium 185Re,184.952956,37.40, 187Re,186.955751,62.60, #76,Osmium 184Os,183.952491,0.02, 186Os,185.953838,1.59, 187Os,186.955748,1.96, 188Os,187.955836,13.24, 189Os,188.958145,16.15, 190Os,189.958445,26.26, 192Os,191.961479,40.78, #77,Iridium 191Ir,190.960591,37.3, 193Ir,192.962924,62.7, #78,Platinum 190Pt,189.959930,0.014, 192Pt,191.961035,0.782, 194Pt,193.962664,32.967, 195Pt,194.964774,33.832, 196Pt,195.964935,25.242, 198Pt,197.967876,7.163, #79,Gold 197Au,196.966552,100, #80,Mercury 196Hg,195.965815,0.15, 198Hg,197.966752,9.97, 199Hg,198.968262,16.87, 200Hg,199.968309,23.10, 201Hg,200.970285,13.18, 202Hg,201.970626,29.86, 204Hg,203.973476,6.87, #81,Thallium 203Tl,202.972329,29.524, 205Tl,204.974412,70.476, #82,Lead 204Pb,203.973029,1.4, 206Pb,205.974449,24.1, 207Pb,206.975881,22.1, 208Pb,207.976636,52.4, #83,Bismuth 209Bi,208.980383,100, #84,Polonium 209Po,208.982416,nan, #85,Astatine 210At,209.987131,nan, #86,Radon 222Rn,222.017570,nan, #87,Francium 223Fr,223.019731,nan, #88,Radium 226Ra,226.025403,nan, #89,Actinium 227Ac,227.027747,nan, #90,Thorium 232Th,232.038050,100, #91,Protactinium 231Pa,231.035879,100, #92,Uranium 234U,234.040946,0.0055, 235U,235.043923,0.7200, 238U,238.050783,99.2745 loading mass number list      Returns:         dictionary of mass number, keys="isotope","mass_number","abundance"