// H2O // Coeff: 1 1 1 1 2 2 // Quality: 0.28 0.28 0.35 0.46 0.32 0.34 spec(it_species, it_isotope, "H2O"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "161", Qcoeff( -4.4405E+00 ,2.7678E-01 ,1.2536E-03 ,-4.8938E-07) ); iso(it_isotope, "181", Qcoeff( -4.3624E+00 ,2.7647E-01 ,1.2802E-03 ,-5.2046E-07) ); iso(it_isotope, "171", Qcoeff( -2.5767E+01 ,1.6458E+00 ,7.6905E-03 ,-3.1668E-06) ); iso(it_isotope, "162", Qcoeff( -2.3916E+01 ,1.3793E+00 ,6.1246E-03 ,-2.1530E-06) ); iso(it_isotope, "182", Qcoeff( -5.1056E+00 ,2.4408E-01 ,1.0230E-03 ,-4.2596E-07) ); iso(it_isotope, "262", Qcoeff( -3.6689E+01 ,1.7119E+00 ,7.2123E-03 ,-3.0200E-06) ); // CO2 // Coeff: 1 1 1 1 1 1 1 1 // Quality: ---- ---- 4.40 4.32 ---- ---- ---- ---- spec(it_species, it_isotope, "CO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "626", Qcoeff( -1.3617E+00 ,9.4899E-01 ,-6.9259E-04 ,2.5974E-06) ); iso(it_isotope, "636", Qcoeff( -2.0631E+00 ,1.8873E+00 ,-1.3669E-03 ,5.4032E-06) ); iso(it_isotope, "628", Qcoeff( -2.9175E+00 ,2.0114E+00 ,-1.4786E-03 ,5.5941E-06) ); iso(it_isotope, "627", Qcoeff( -1.6558E+01 ,1.1733E+01 ,-8.5844E-03 ,3.2379E-05) ); iso(it_isotope, "638", Qcoeff( -4.4685E+00 ,4.0330E+00 ,-2.9590E-03 ,1.1770E-05) ); iso(it_isotope, "637", Qcoeff( -2.6263E+01 ,2.3350E+01 ,-1.7032E-02 ,6.7532E-05) ); iso(it_isotope, "828", Qcoeff( -1.4811E+00 ,1.0667E+00 ,-7.8758E-04 ,3.0133E-06) ); iso(it_isotope, "728", Qcoeff( -1.7600E+01 ,1.2445E+01 ,-9.1837E-03 ,3.4915E-05) ); // O3 // Coeff: 1 1 1 1 1 // Quality: 3.86 2.64 2.49 1.25 1.28 spec(it_species, it_isotope, "O3"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "666", Qcoeff( -1.6443E+02 ,6.9047E+00 ,1.0396E-02 ,2.6669E-05) ); iso(it_isotope, "668", Qcoeff( -3.5222E+02 ,1.4796E+01 ,2.1475E-02 ,5.9891E-05) ); iso(it_isotope, "686", Qcoeff( -1.7466E+02 ,7.2912E+00 ,1.0093E-02 ,2.9991E-05) ); iso(it_isotope, "667", Qcoeff( -2.0540E+03 ,8.5998E+01 ,1.2667E-01 ,3.3026E-04) ); iso(it_isotope, "676", Qcoeff( -1.0148E+03 ,4.2494E+01 ,6.2586E-02 ,1.6319E-04) ); // N2O // Coeff: 1 1 1 1 1 // Quality: 0.89 1.26 0.95 0.82 ---- spec(it_species, it_isotope, "N2O"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "446", Qcoeff( 2.4892E+01 ,1.4979E+01 ,-7.6213E-03 ,4.6310E-05) ); iso(it_isotope, "456", Qcoeff( 3.6318E+01 ,9.5497E+00 ,-2.3943E-03 ,2.6842E-05) ); iso(it_isotope, "546", Qcoeff( 2.4241E+01 ,1.0179E+01 ,-4.3002E-03 ,3.0425E-05) ); iso(it_isotope, "448", Qcoeff( 6.7708E+01 ,1.4878E+01 ,-1.0730E-03 ,3.4254E-05) ); iso(it_isotope, "447", Qcoeff( 5.0069E+02 ,8.4526E+01 ,8.3494E-03 ,1.7154E-04) ); // CO // Coeff: 1 1 1 1 1 1 // Quality: 0.03 0.02 0.02 0.02 ---- ---- spec(it_species, it_isotope, "CO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "26", Qcoeff( 2.7758E-01 ,3.6290E-01 ,-7.4669E-06 ,1.4896E-08) ); iso(it_isotope, "36", Qcoeff( 5.3142E-01 ,7.5953E-01 ,-1.7810E-05 ,3.5160E-08) ); iso(it_isotope, "28", Qcoeff( 2.6593E-01 ,3.8126E-01 ,-9.2083E-06 ,1.8086E-08) ); iso(it_isotope, "27", Qcoeff( 1.6376E+00 ,2.2343E+00 ,-4.9025E-05 ,9.7389E-08) ); iso(it_isotope, "38", Qcoeff( 5.1216E-01 ,7.9978E-01 ,-2.1784E-05 ,4.2749E-08) ); iso(it_isotope, "37", Qcoeff( 3.2731E+00 ,4.6577E+00 ,-6.9833E-05 ,1.8853E-07) ); // CH4 // Coeff: 1 1 1 // Quality: ---- ---- 21.43 spec(it_species, it_isotope, "CH4"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "211", Qcoeff( -2.6479E+01 ,1.1557E+00 ,2.6831E-03 ,1.5117E-06) ); iso(it_isotope, "311", Qcoeff( -5.2956E+01 ,2.3113E+00 ,5.3659E-03 ,3.0232E-06) ); iso(it_isotope, "212", Qcoeff( -2.1577E+02 ,9.3318E+00 ,2.1779E-02 ,1.2183E-05) ); // O2 // Coeff: 1 1 1 // Quality: 0.11 0.62 0.65 spec(it_species, it_isotope, "O2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "66", Qcoeff( 3.5923E-01 ,7.3534E-01 ,-6.4870E-05 ,1.3073E-07) ); iso(it_isotope, "68", Qcoeff( -4.0039E+00 ,1.5595E+00 ,-1.5357E-04 ,3.0969E-07) ); iso(it_isotope, "67", Qcoeff( -2.3325E+01 ,9.0981E+00 ,-8.4435E-04 ,1.7062E-06) ); // NO // Coeff: 1 1 1 // Quality: 1.56 ---- ---- spec(it_species, it_isotope, "NO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "46", Qcoeff( -2.5296E+01 ,2.6349E+00 ,5.8517E-03 ,-5.2020E-06) ); iso(it_isotope, "56", Qcoeff( -1.4990E+01 ,1.8240E+00 ,4.0261E-03 ,-3.5648E-06) ); iso(it_isotope, "48", Qcoeff( -2.6853E+01 ,2.7816E+00 ,6.1493E-03 ,-5.4410E-06) ); // SO2 // Coeff: 1 1 2 2 // Quality: 1.26 1.23 1.32 1.32 spec(it_species, it_isotope, "SO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "626", Qcoeff( -2.4056E+02 ,1.1101E+01 ,2.2164E-02 ,5.2334E-05) ); iso(it_isotope, "646", Qcoeff( -2.4167E+02 ,1.1151E+01 ,2.2270E-02 ,5.2550E-05) ); iso(it_isotope, "636", Qcoeff( 5.8740E+02 ,1.2472E+01 ,2.9113E-01 ,-1.6236E-04) ); iso(it_isotope, "628", Qcoeff( 3.1299E+02 ,6.6372E+00 ,1.5485E-01 ,-8.6343E-05) ); // NO2 // Coeff: 1 // Quality: 0.98 spec(it_species, it_isotope, "NO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "646", Qcoeff( -5.3042E+02 ,2.4216E+01 ,6.6856E-02 ,4.3823E-05) ); // NH3 // Coeff: 1 1 2 // Quality: 1.09 21.12 0.78 spec(it_species, it_isotope, "NH3"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "4111", Qcoeff( -6.2293E+01 ,3.0915E+00 ,9.4575E-03 ,1.8416E-06) ); iso(it_isotope, "5111", Qcoeff( -4.2130E+01 ,2.0569E+00 ,6.3387E-03 ,1.2127E-06) ); iso(it_isotope, "4112", Qcoeff( -6.5172E+01 ,4.3080E+00 ,3.3865E-02 ,-1.6513E-05) ); // HNO3 // Coeff: 2 // Quality: 4.00 spec(it_species, it_isotope, "HNO3"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "146", Qcoeff( 4.7202E+03 ,-5.5810E+01 ,6.6216E-01 ,-4.2602E-04) ); // OH // Coeff: 1 1 1 // Quality: 0.85 0.84 1.04 spec(it_species, it_isotope, "OH"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "61", Qcoeff( 8.7390E+00 ,1.5977E-01 ,3.8291E-04 ,-3.5669E-07) ); iso(it_isotope, "81", Qcoeff( 8.6770E+00 ,1.6175E-01 ,3.8223E-04 ,-3.5466E-07) ); iso(it_isotope, "62", Qcoeff( 1.0239E+01 ,4.3783E-01 ,1.0477E-03 ,-9.4570E-07) ); // HF // Coeff: 1 2 // Quality: 0.02 0.04 spec(it_species, it_isotope, "HF"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "19", Qcoeff( 1.5486E+00 ,1.3350E-01 ,5.9154E-06 ,-4.6889E-09) ); iso(it_isotope, "29", Qcoeff( 3.4435E-01 ,6.3996E-02 ,4.2331E-07 ,-3.0344E-10) ); // HCl // Coeff: 1 1 2 2 // Quality: 2.32 2.30 0.03 0.03 spec(it_species, it_isotope, "HCl"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "15", Qcoeff( 2.8627E+00 ,5.3122E-01 ,6.7464E-06 ,-1.6730E-09) ); iso(it_isotope, "17", Qcoeff( 2.8617E+00 ,5.3203E-01 ,6.6553E-06 ,-1.5168E-09) ); iso(it_isotope, "25", Qcoeff( 1.2492E+00 ,5.1693E-01 ,-1.0216E-06 ,2.4388E-09) ); iso(it_isotope, "27", Qcoeff( 1.2054E+00 ,5.1906E-01 ,-3.1578E-06 ,4.8085E-09) ); // HBr // Coeff: 1 1 // Quality: 1.89 1.89 spec(it_species, it_isotope, "HBr"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "19", Qcoeff( 2.7963E+00 ,6.6532E-01 ,3.4255E-06 ,5.2274E-09) ); iso(it_isotope, "11", Qcoeff( 2.7953E+00 ,6.6554E-01 ,3.2931E-06 ,5.4823E-09) ); // HI // Coeff: 1 // Quality: ---- spec(it_species, it_isotope, "HI"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "17", Qcoeff( 4.0170E+00 ,1.3003E+00 ,-1.1409E-05 ,4.0026E-08) ); // ClO // Coeff: 1 1 // Quality: 1.94 1.96 spec(it_species, it_isotope, "ClO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "56", Qcoeff( 9.0968E+01 ,7.0918E+00 ,1.1639E-02 ,3.0145E-06) ); iso(it_isotope, "76", Qcoeff( 9.2598E+01 ,7.2085E+00 ,1.1848E-02 ,3.1305E-06) ); // OCS // Coeff: 1 1 1 1 1 // Quality: 1.49 1.66 2.43 ---- 2.15 spec(it_species, it_isotope, "OCS"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "622", Qcoeff( -9.3697E-01 ,3.6090E+00 ,-3.4552E-03 ,1.7462E-05) ); iso(it_isotope, "624", Qcoeff( -1.1536E+00 ,3.7028E+00 ,-3.5582E-03 ,1.7922E-05) ); iso(it_isotope, "632", Qcoeff( -6.1015E-01 ,7.2200E+00 ,-7.0044E-03 ,3.6708E-05) ); iso(it_isotope, "623", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); iso(it_isotope, "822", Qcoeff( -2.1569E-01 ,3.8332E+00 ,-3.6783E-03 ,1.9177E-05) ); // H2CO // Coeff: 1 1 1 2 2 // Quality: 2.80 3.18 0.74 0.18 0.21 spec(it_species, it_isotope, "H2CO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1126", Qcoeff( -1.1760E+02 ,4.6885E+00 ,1.5088E-02 ,3.5367E-06) ); iso(it_isotope, "1136", Qcoeff( -2.4126E+02 ,9.6134E+00 ,3.0938E-02 ,7.2579E-06) ); iso(it_isotope, "1128", Qcoeff( -1.1999E+02 ,5.2912E+00 ,1.4686E-02 ,4.3505E-06) ); iso(it_isotope, "1226", Qcoeff( -6.3717E+01 ,3.0566E+00 ,1.3879E-02 ,-5.9420E-06) ); iso(it_isotope, "2226", Qcoeff( -3.4485E+02 ,1.7375E+01 ,8.4988E-02 ,-3.7365E-05) ); // HOCl // Coeff: 1 1 // Quality: 0.95 0.95 spec(it_species, it_isotope, "HOCl"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "165", Qcoeff( -7.3640E+02 ,3.4149E+01 ,9.3554E-02 ,6.7409E-05) ); iso(it_isotope, "167", Qcoeff( -7.4923E+02 ,3.4747E+01 ,9.5251E-02 ,6.8523E-05) ); // N2 // Coeff: 1 // Quality: ---- spec(it_species, it_isotope, "N2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "44", Qcoeff( 1.3684E+00 ,1.5756E+00 ,-1.8511E-05 ,3.8960E-08) ); // HCN // Coeff: 1 1 1 2 // Quality: 0.51 0.38 0.45 1.72 spec(it_species, it_isotope, "HCN"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "124", Qcoeff( -1.3992E+00 ,2.9619E+00 ,-1.7464E-03 ,6.5937E-06) ); iso(it_isotope, "134", Qcoeff( -2.5869E+00 ,6.0744E+00 ,-3.5719E-03 ,1.3654E-05) ); iso(it_isotope, "125", Qcoeff( -1.1408E+00 ,2.0353E+00 ,-1.2159E-03 ,4.6375E-06) ); iso(it_isotope, "224", Qcoeff( 1.4949E+01 ,1.4567E+00 ,9.0970E-04 ,8.0655E-07) ); // CH3Cl // Coeff: 1 1 // Quality: 1.65 1.71 spec(it_species, it_isotope, "CH3Cl"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "215", Qcoeff( -9.1416E+02 ,3.4081E+01 ,7.5461E-03 ,1.7933E-04) ); iso(it_isotope, "217", Qcoeff( -9.2868E+02 ,3.4621E+01 ,7.6674E-03 ,1.8217E-04) ); // H2O2 // Coeff: 1 // Quality: 14.46 spec(it_species, it_isotope, "H2O2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1661", Qcoeff( -3.6499E+02 ,1.3712E+01 ,3.8658E-02 ,2.3052E-05) ); // C2H2 // Coeff: 1 1 // Quality: ---- ---- spec(it_species, it_isotope, "C2H2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1221", Qcoeff( -8.3088E+00 ,1.4484E+00 ,-2.5946E-03 ,8.4612E-06) ); iso(it_isotope, "1231", Qcoeff( -6.6736E+01 ,1.1592E+01 ,-2.0779E-02 ,6.7719E-05) ); // C2H6 // Coeff: 1 // Quality: ---- spec(it_species, it_isotope, "C2H6"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1221", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); // PH3 // Coeff: 1 // Quality: 2.06 spec(it_species, it_isotope, "PH3"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1111", Qcoeff( -1.5068E+02 ,6.4718E+00 ,1.2588E-02 ,1.4759E-05) ); // COF2 // Coeff: 1 // Quality: 13.92 spec(it_species, it_isotope, "COF2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "269", Qcoeff( -5.4180E+03 ,1.8868E+02 ,-3.3139E-01 ,1.8650E-03) ); // SF6 // Coeff: 1 // Quality: ---- spec(it_species, it_isotope, "SF6"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "29", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); // H2S // Coeff: 1 1 1 2 // Quality: 0.29 ---- ---- 0.32 spec(it_species, it_isotope, "H2S"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "121", Qcoeff( -1.5521E+01 ,8.3130E-01 ,3.3656E-03 ,-8.5691E-07) ); iso(it_isotope, "141", Qcoeff( -1.5561E+01 ,8.3337E-01 ,3.3744E-03 ,-8.5937E-07) ); iso(it_isotope, "131", Qcoeff( -6.2170E+01 ,3.3295E+00 ,1.3480E-02 ,-3.4323E-06) ); iso(it_isotope, "122", Qcoeff( -1.5731E+01 ,7.1204E-01 ,2.9745E-03 ,-1.2403E-06) ); // HCOOH // Coeff: 1 2 2 2 // Quality: 12.54 6.54 0.55 0.57 spec(it_species, it_isotope, "HCOOH"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1261", Qcoeff( -2.9550E+03 ,1.0349E+02 ,-1.3146E-01 ,8.7787E-04) ); iso(it_isotope, "1361", Qcoeff( 2.0082E+02 ,-4.9620E+00 ,2.3524E-01 ,-4.0531E-04) ); iso(it_isotope, "2261", Qcoeff( -2.5614E+01 ,8.4704E+00 ,1.2417E-01 ,-1.1758E-04) ); iso(it_isotope, "1262", Qcoeff( -5.7615E+01 ,9.5919E+00 ,1.0930E-01 ,-1.0134E-04) ); // HO2 // Coeff: 1 // Quality: 1.10 spec(it_species, it_isotope, "HO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "166", Qcoeff( -1.5684E+02 ,7.4450E+00 ,2.6011E-02 ,-9.2704E-07) ); // O // Coeff: 1 // Quality: ---- spec(it_species, it_isotope, "O"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "6", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); // ClONO2 // Coeff: 2 2 // Quality: 1.87 1.85 spec(it_species, it_isotope, "ClONO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "5646", Qcoeff( -4.9350E+03 ,2.7375E+02 ,7.2257E+00 ,-4.2583E-03) ); iso(it_isotope, "7646", Qcoeff( -4.9721E+03 ,2.7978E+02 ,7.4127E+00 ,-4.3703E-03) ); // NO+ // Coeff: 1 // Quality: 0.01 spec(it_species, it_isotope, "NO+"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "46", Qcoeff( 9.1798E-01 ,1.0416E+00 ,-1.1614E-05 ,2.4499E-08) ); // OClO // Coeff: 2 2 // Quality: 1.09 1.13 spec(it_species, it_isotope, "OClO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "656", Qcoeff( 1.0809E+02 ,4.5813E+01 ,6.1875E-01 ,-3.4280E-04) ); iso(it_isotope, "676", Qcoeff( 1.0495E+03 ,3.1385E+01 ,6.6403E-01 ,-3.7240E-04) ); // BrO // Coeff: 2 2 // Quality: 0.09 0.09 spec(it_species, it_isotope, "BrO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "96", Qcoeff( -8.8945E+00 ,1.3384E+01 ,-1.6496E-03 ,1.4828E-06) ); iso(it_isotope, "16", Qcoeff( -8.4100E+00 ,1.3433E+01 ,-1.6322E-03 ,1.4620E-06) ); // H2SO4 // Coeff: 2 // Quality: 0.39 spec(it_species, it_isotope, "H2SO4"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "126", Qcoeff( -6.6207E+03 ,2.6856E+02 ,1.0187E+00 ,-4.0717E-04) ); // Cl2O2 // Coeff: 2 2 // Quality: 0.29 0.30 spec(it_species, it_isotope, "Cl2O2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "565", Qcoeff( -1.6546E+04 ,7.0845E+02 ,2.9249E+00 ,-1.2097E-03) ); iso(it_isotope, "765", Qcoeff( -1.6893E+04 ,7.2651E+02 ,3.0185E+00 ,-1.2520E-03) ); // HOBr // Coeff: 2 2 // Quality: 0.36 0.37 spec(it_species, it_isotope, "HOBr"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "169", Qcoeff( -5.1671E+02 ,2.2261E+01 ,9.3769E-02 ,-3.9223E-05) ); iso(it_isotope, "161", Qcoeff( -5.1818E+02 ,2.2340E+01 ,9.4261E-02 ,-3.9488E-05) ); // C2H4 // Coeff: 1 1 // Quality: ---- ---- spec(it_species, it_isotope, "C2H4"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "221", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); iso(it_isotope, "231", Qcoeff( -1.0000E+00 ,0.0000E+00 ,0.0000E+00 ,0.0000E+00) ); // OBrO // Coeff: 2 2 // Quality: 0.37 0.13 spec(it_species, it_isotope, "OBrO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "696", Qcoeff( -3.5150E+03 ,1.5261E+02 ,6.3242E-01 ,-2.6310E-04) ); iso(it_isotope, "616", Qcoeff( -3.1318E+03 ,1.4783E+02 ,6.5194E-01 ,-2.7502E-04) ); // ClNO2 // Coeff: 2 // Quality: 0.58 spec(it_species, it_isotope, "ClNO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "5466", Qcoeff( -8.0762E+02 ,9.0849E+01 ,8.0050E-01 ,-4.1078E-04) ); // HOONO2 // Coeff: 2 // Quality: 2.34 spec(it_species, it_isotope, "HOONO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1646", Qcoeff( -2.2275E+04 ,5.1610E+02 ,-3.0495E-01 ,5.6465E-04) ); // PO2 // Coeff: 2 // Quality: 0.49 spec(it_species, it_isotope, "PO2"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "166", Qcoeff( -8.9081E+02 ,3.5746E+01 ,1.3948E-01 ,-5.7099E-05) ); // PS // Coeff: 2 // Quality: 1.60 spec(it_species, it_isotope, "PS"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "12", Qcoeff( 2.1654E+02 ,4.7997E+00 ,2.8269E-02 ,-2.5662E-05) ); // C2S // Coeff: 2 2 2 2 // Quality: 0.05 0.04 0.03 0.02 spec(it_species, it_isotope, "C2S"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "222", Qcoeff( -5.2496E+01 ,9.6795E+00 ,-1.3138E-04 ,1.4900E-07) ); iso(it_isotope, "322", Qcoeff( -1.0749E+02 ,2.0220E+01 ,-1.0130E-04 ,1.4509E-07) ); iso(it_isotope, "232", Qcoeff( -1.0011E+02 ,1.9376E+01 ,1.1967E-05 ,2.2744E-08) ); iso(it_isotope, "224", Qcoeff( -5.1273E+01 ,9.8609E+00 ,-5.6748E-06 ,2.3835E-08) ); // C3O // Coeff: 2 2 2 2 2 // Quality: 0.03 0.02 0.02 0.03 0.02 spec(it_species, it_isotope, "C3O"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "2226", Qcoeff( -2.4817E+00 ,4.3758E+00 ,-1.9310E-04 ,1.8022E-07) ); iso(it_isotope, "3226", Qcoeff( -6.2126E-01 ,4.5104E+00 ,-4.2939E-05 ,5.4306E-08) ); iso(it_isotope, "2326", Qcoeff( -8.7510E-01 ,4.3718E+00 ,-5.4908E-05 ,5.8548E-08) ); iso(it_isotope, "2236", Qcoeff( -8.7252E-01 ,4.3589E+00 ,-5.5102E-05 ,6.7709E-08) ); iso(it_isotope, "2228", Qcoeff( -9.8747E-01 ,4.5752E+00 ,-5.8894E-05 ,6.2559E-08) ); // HCCCN // Coeff: 2 2 2 2 2 2 // Quality: 0.03 0.02 0.03 0.03 0.02 0.02 spec(it_species, it_isotope, "HCCCN"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "12224", Qcoeff( -4.6957E+00 ,1.3817E+01 ,-2.6385E-04 ,2.8559E-07) ); iso(it_isotope, "12234", Qcoeff( -5.1851E+00 ,1.3888E+01 ,-3.4478E-04 ,3.5863E-07) ); iso(it_isotope, "12324", Qcoeff( -4.3690E+00 ,1.3876E+01 ,-2.8057E-04 ,2.8249E-07) ); iso(it_isotope, "13224", Qcoeff( -4.4352E+00 ,1.4257E+01 ,-2.8623E-04 ,2.8830E-07) ); iso(it_isotope, "12225", Qcoeff( -1.5103E+00 ,4.7446E+00 ,-1.0358E-04 ,1.0611E-07) ); iso(it_isotope, "22224", Qcoeff( -3.1975E+00 ,1.4867E+01 ,-2.3322E-04 ,2.5794E-07) ); // HNC3 // Coeff: 2 // Quality: 0.02 spec(it_species, it_isotope, "HNC3"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "14222", Qcoeff( -5.4117E+00 ,1.3486E+01 ,-3.7354E-04 ,3.6738E-07) ); // HC2NC // Coeff: 2 // Quality: 0.02 spec(it_species, it_isotope, "HC2NC"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "12242", Qcoeff( -4.1226E+00 ,1.2658E+01 ,-2.8501E-04 ,2.9443E-07) ); // C3N // Coeff: 2 // Quality: 0.02 spec(it_species, it_isotope, "C3N"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "2224", Qcoeff( -9.6914E+00 ,2.5435E+01 ,-6.2244E-04 ,6.4024E-07) ); // NS // Coeff: 2 2 // Quality: 1.79 1.78 spec(it_species, it_isotope, "NS"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "42", Qcoeff( 2.8164E+01 ,4.1695E+00 ,1.3771E-02 ,-1.2813E-05) ); iso(it_isotope, "44", Qcoeff( 2.8465E+01 ,4.2508E+00 ,1.3994E-02 ,-1.3012E-05) ); // H2CS // Coeff: 2 2 2 // Quality: 1.59 2.50 11.43 spec(it_species, it_isotope, "H2CS"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1122", Qcoeff( 5.7549E+01 ,5.7014E+00 ,5.4686E-02 ,-2.6341E-05) ); iso(it_isotope, "1132", Qcoeff( -2.1283E+02 ,9.2239E+00 ,4.7806E-02 ,-2.3988E-05) ); iso(it_isotope, "1124", Qcoeff( -1.5755E+03 ,2.8598E+01 ,-1.5412E-02 ,1.6979E-05) ); // PO // Coeff: 2 // Quality: 1.77 spec(it_species, it_isotope, "PO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "16", Qcoeff( 2.4096E+01 ,2.9364E+00 ,9.7013E-03 ,-9.0239E-06) ); // CS // Coeff: 2 2 2 // Quality: 0.04 0.05 0.03 spec(it_species, it_isotope, "CS"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "22", Qcoeff( -1.7272E-01 ,8.5818E-01 ,-2.8093E-05 ,2.7394E-08) ); iso(it_isotope, "32", Qcoeff( -3.0961E-01 ,9.1070E-01 ,-3.5109E-05 ,3.3020E-08) ); iso(it_isotope, "24", Qcoeff( -1.2759E-01 ,8.7135E-01 ,-2.5349E-05 ,2.4037E-08) ); // PN // Coeff: 2 // Quality: 0.06 spec(it_species, it_isotope, "PN"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "14", Qcoeff( 1.7062E+00 ,2.6458E+00 ,7.9702E-05 ,-5.8491E-08) ); // HNCO // Coeff: 2 2 2 2 2 // Quality: 0.58 1.61 0.84 0.89 0.66 spec(it_species, it_isotope, "HNCO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "1426", Qcoeff( -4.1904E+02 ,1.5079E+01 ,4.5769E-02 ,-1.6355E-05) ); iso(it_isotope, "2426", Qcoeff( -1.2417E+03 ,3.4521E+01 ,-4.9030E-03 ,2.9562E-05) ); iso(it_isotope, "1526", Qcoeff( -2.0870E+02 ,6.3714E+00 ,1.0197E-02 ,-1.4580E-06) ); iso(it_isotope, "1436", Qcoeff( -6.1663E+02 ,1.8714E+01 ,2.8271E-02 ,-3.2972E-06) ); iso(it_isotope, "1428", Qcoeff( -5.1866E+02 ,1.7267E+01 ,4.2249E-02 ,-1.2706E-05) ); // HCP // Coeff: 2 2 // Quality: 0.08 0.20 spec(it_species, it_isotope, "HCP"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "121", Qcoeff( -1.4678E+00 ,1.0726E+00 ,-1.2608E-04 ,1.1412E-07) ); iso(it_isotope, "221", Qcoeff( -3.5571E+00 ,1.2928E+00 ,-2.9432E-04 ,2.6108E-07) ); // CP // Coeff: 2 // Quality: 0.02 spec(it_species, it_isotope, "CP"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "21", Qcoeff( 3.6199E-01 ,3.5066E+00 ,-4.0147E-05 ,4.5151E-08) ); // CH2CO // Coeff: 2 2 // Quality: 2.82 0.71 spec(it_species, it_isotope, "CH2CO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "21126", Qcoeff( -1.8598E+02 ,1.2339E+01 ,9.0044E-02 ,-4.8892E-05) ); iso(it_isotope, "21226", Qcoeff( -2.6616E+02 ,1.0953E+01 ,4.6664E-02 ,-2.0071E-05) ); // CH3CN // Coeff: 2 2 2 2 2 // Quality: 2.32 0.34 0.34 0.34 0.36 spec(it_species, it_isotope, "CH3CN"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "211124", Qcoeff( 3.1302E+03 ,-3.3912E+01 ,6.5983E-01 ,-4.2371E-04) ); iso(it_isotope, "211125", Qcoeff( -3.9263E+02 ,1.7101E+01 ,7.2308E-02 ,-3.0381E-05) ); iso(it_isotope, "311124", Qcoeff( -1.1837E+03 ,5.1359E+01 ,2.1618E-01 ,-9.0741E-05) ); iso(it_isotope, "211134", Qcoeff( -1.1446E+03 ,4.9829E+01 ,2.1032E-01 ,-8.8474E-05) ); iso(it_isotope, "211224", Qcoeff( -3.4891E+02 ,1.5104E+01 ,6.3537E-02 ,-2.6662E-05) ); // NH2CN // Coeff: 2 // Quality: 1.03 spec(it_species, it_isotope, "NH2CN"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "41124", Qcoeff( -7.7576E+02 ,2.1610E+01 ,1.5949E-01 ,-8.1068E-05) ); // CH3C2H // Coeff: 2 2 2 2 2 2 // Quality: 0.29 0.30 0.28 0.30 0.16 2.86 spec(it_species, it_isotope, "CH3C2H"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "2111221", Qcoeff( -2.0484E+02 ,8.9314E+00 ,3.7461E-02 ,-1.5599E-05) ); iso(it_isotope, "2111231", Qcoeff( -2.0933E+02 ,9.1787E+00 ,3.8729E-02 ,-1.6210E-05) ); iso(it_isotope, "2111321", Qcoeff( -2.0320E+02 ,8.9120E+00 ,3.7567E-02 ,-1.5708E-05) ); iso(it_isotope, "3111221", Qcoeff( -2.0879E+02 ,9.1536E+00 ,3.8622E-02 ,-1.6165E-05) ); iso(it_isotope, "2111222", Qcoeff( -4.7634E+02 ,2.7139E+01 ,1.2110E-01 ,-5.1342E-05) ); iso(it_isotope, "2112221", Qcoeff( 6.1733E+02 ,-5.2081E-02 ,5.2397E-02 ,-3.3512E-05) ); // SH // Coeff: 2 2 // Quality: 0.98 1.03 spec(it_species, it_isotope, "SH"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "21", Qcoeff( 1.3362E+01 ,1.9303E-01 ,6.4048E-04 ,-5.8629E-07) ); iso(it_isotope, "22", Qcoeff( 2.5305E+01 ,5.6983E-01 ,1.7826E-03 ,-1.6269E-06) ); // HNO // Coeff: 2 2 // Quality: 0.40 0.44 spec(it_species, it_isotope, "HNO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "146", Qcoeff( -1.0927E+02 ,4.6298E+00 ,1.8643E-02 ,-7.6959E-06) ); iso(it_isotope, "246", Qcoeff( -1.6991E+02 ,6.9760E+00 ,2.7007E-02 ,-1.0947E-05) ); // CH2NH // Coeff: 2 2 2 2 // Quality: 0.36 0.35 0.35 0.50 spec(it_species, it_isotope, "CH2NH"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "21141", Qcoeff( -1.6141E+02 ,8.8742E+00 ,4.3189E-02 ,-1.8501E-05) ); iso(it_isotope, "31141", Qcoeff( -7.8181E+01 ,3.3345E+00 ,1.3820E-02 ,-5.7441E-06) ); iso(it_isotope, "21151", Qcoeff( -7.7972E+01 ,3.3351E+00 ,1.3861E-02 ,-5.7749E-06) ); iso(it_isotope, "21142", Qcoeff( -4.7347E+02 ,1.3892E+01 ,4.2995E-02 ,-1.4184E-05) ); // HCO // Coeff: 2 // Quality: 0.38 spec(it_species, it_isotope, "HCO"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "126", Qcoeff( -1.1303E+02 ,4.9427E+00 ,2.1018E-02 ,-8.8728E-06) ); // HNC // Coeff: 2 2 2 2 // Quality: 0.03 0.04 0.03 0.02 spec(it_species, it_isotope, "HNC"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "142", Qcoeff( 1.9951E-01 ,4.6136E-01 ,-5.1948E-06 ,6.4118E-09) ); iso(it_isotope, "143", Qcoeff( 7.0082E-02 ,4.8234E-01 ,-1.4190E-05 ,1.3941E-08) ); iso(it_isotope, "152", Qcoeff( 1.6090E-01 ,4.7149E-01 ,-8.8552E-06 ,8.8813E-09) ); iso(it_isotope, "242", Qcoeff( 2.0281E-01 ,5.4789E-01 ,-5.0006E-06 ,5.6951E-09) ); // CN // Coeff: 2 2 // Quality: 0.02 0.02 spec(it_species, it_isotope, "CN"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "24", Qcoeff( 1.4752E+00 ,2.2120E+00 ,-1.9054E-05 ,2.3534E-08) ); iso(it_isotope, "34", Qcoeff( 2.3937E+00 ,4.6222E+00 ,-6.8291E-05 ,7.9974E-08) ); // C2H // Coeff: 2 // Quality: 0.02 spec(it_species, it_isotope, "C2H"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "221", Qcoeff( 8.5244E-01 ,1.9145E+00 ,-1.7238E-05 ,2.0990E-08) ); // NH // Coeff: 2 // Quality: 0.03 spec(it_species, it_isotope, "NH"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "41", Qcoeff( 6.7035E+00 ,7.6005E-01 ,2.4740E-05 ,-2.2265E-08) ); // CH // Coeff: 2 // Quality: 0.11 spec(it_species, it_isotope, "CH"); // Name c0 c1 c2 c3 // | | | | | iso(it_isotope, "21", Qcoeff( 3.9368E+00 ,3.8434E-01 ,2.4046E-05 ,-2.1957E-08) );