H79Br...14N 14N, F1,I,F coupling Tue Sep 26 15:51:10 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 1 1 2 3 0 2 2 4 2314.1763 0.0002 0.002 2: 1 1 1 2 0 2 1 3 2314.2049 -0.007 UNFITTD 2314.2119 3: 1 1 0 1 0 2 0 2 2314.2049 -0.007 UNFITTD 2314.2120 4: 1 1 2 3 0 2 2 3 2314.2049 -0.010 UNFITTD 2314.2153 5: 1 1 2 2 0 2 2 3 2314.2409 -0.0006 0.002 -0.0053 0.45 6: 1 1 1 1 0 2 1 1 2314.2409 -0.0096 0.002 -0.0053 0.29 7: 1 1 2 2 0 2 0 2 2314.2409 -0.0083 0.002 -0.0053 0.26 8: 1 3 2 3 0 2 0 2 2386.9239 0.0015 0.002 0.0034 0.75 9: 1 3 2 3 0 2 2 3 2386.9239 0.0092 0.002 0.0034 0.25 10: 1 3 2 4 0 2 2 4 2387.4000 0.0010 0.002 11: 1 3 2 4 0 2 2 3 2387.4375 -0.0006 0.002 12: 1 3 1 2 0 2 1 1 2387.5745 -0.008 UNFITTD 2387.5833 13: 1 3 1 4 0 2 1 3 2387.9417 -0.008 UNFITTD 2387.9497 14: 1 3 2 2 0 2 2 1 2388.5315 0.0024 0.002 0.0006 0.56 15: 1 3 2 2 0 2 2 2 2388.5315 -0.0016 0.002 0.0006 0.44 16: 1 3 2 5 0 2 2 4 2388.5912 0.0022 0.002 17: 1 3 1 3 0 2 1 2 2388.8274 -0.008 UNFITTD 2388.8363 18: 1 3 1 3 0 2 1 3 2388.8589 -0.0054 0.002 19: 1 3 0 3 0 2 2 2 2388.9833 -0.0007 0.002 20: 1 3 0 3 0 2 2 3 2389.0492 0.0020 0.002 0.0004 0.78 21: 1 3 0 3 0 2 0 2 2389.0492 -0.0056 0.002 0.0004 0.22 22: 1 3 2 1 0 2 2 1 2389.3861 0.0013 0.002 23: 1 2 1 2 0 2 1 2 2481.1622 -0.009 UNFITTD 2481.1717 24: 1 2 1 2 0 2 1 3 2481.1860 -0.013 UNFITTD 2481.1997 25: 1 2 1 2 0 2 2 3 2481.2137 -0.008 UNFITTD 2481.2225 26: 1 2 2 4 0 2 2 4 2481.5254 0.0014 0.002 27: 1 2 2 4 0 2 2 3 2481.5624 -0.0008 0.002 28: 1 2 1 3 0 2 1 2 2482.0124 -0.011 UNFITTD 2482.0236 29: 1 2 1 3 0 2 1 3 2482.0421 -0.009 UNFITTD 2482.0517 ! 30: 2 1 2 3 1 2 1 3 4644.6569 0.0014 0.002 31: 2 1 2 3 1 2 2 4 4645.1566 -0.010 UNFITTD 4645.1667 32: 2 2 2 4 1 2 2 4 4739.6586 0.0004 0.002 33: 2 3 2 3 1 2 0 2 4802.7468 -0.0008 0.002 34: 2 3 2 3 1 2 2 3 4802.9956 0.0001 0.002 35: 2 3 2 4 1 2 2 3 4803.2654 -0.0006 0.002 36: 2 4 2 5 1 3 2 5 4803.4289 -0.0007 0.002 37: 2 4 2 4 1 3 2 4 4803.7776 0.0000 0.002 38: 2 3 1 4 1 2 1 3 4804.2079 -0.014 UNFITTD 4804.2225 39: 2 4 2 4 1 3 2 3 4804.3012 0.0001 0.002 40: 2 4 2 3 1 3 2 2 4804.5100 0.0004 0.002 41: 2 4 2 5 1 3 2 4 4804.6084 -0.011 UNFITTD 4804.6197 42: 2 4 1 5 1 3 1 4 4804.6084 -0.015 UNFITTD 4804.6239 43: 2 4 1 3 1 3 1 2 4804.6325 -0.014 UNFITTD 4804.6473 44: 2 4 2 2 1 3 2 1 4804.7684 0.0009 0.002 45: 2 4 0 4 1 3 0 3 4804.8220 0.0013 0.002 46: 2 4 2 6 1 3 2 5 4804.8942 -0.005 UNFITTD 4804.8999 47: 2 4 1 4 1 3 1 3 4804.8942 -0.010 UNFITTD 4804.9049 48: 2 3 2 5 1 2 2 4 4805.0747 0.0036 0.002 49: 2 3 0 3 1 2 1 2 4805.6241 -0.008 UNFITTD 4805.6321 50: 2 3 2 2 1 2 2 2 4805.8623 0.0000 0.002 51: 2 3 2 2 1 2 2 1 4805.9673 -0.0028 0.002 52: 2 3 0 3 1 2 2 2 4806.0426 -0.0002 0.002 53: 2 4 2 3 1 3 2 3 4806.1910 -0.0002 0.002 54: 2 3 2 1 1 2 2 1 4806.3391 0.0007 0.002 55: 2 4 0 4 1 3 2 4 4806.4306 0.0009 0.002 56: 2 1 2 3 1 1 2 2 4812.4766 -0.011 UNFITTD 4812.4883 57: 2 1 1 2 1 1 1 2 4812.4981 -0.0015 0.002 -0.0018 0.50 58: 2 1 2 2 1 1 2 3 4812.4981 -0.0019 0.002 -0.0018 0.50 59: 2 3 0 3 1 3 0 3 4897.8056 -0.0018 0.002 60: 2 3 1 3 1 3 1 3 4897.8618 -0.022 UNFITTD 4897.8843 61: 2 3 2 5 1 3 2 5 4898.0071 0.0010 0.002 62: 2 3 1 4 1 3 1 4 4898.3058 -0.018 UNFITTD 4898.3244 63: 2 3 2 4 1 3 2 4 4898.6074 -0.0002 0.002 64: 2 3 1 4 1 3 2 4 4898.8560 -0.0027 0.002 65: 2 3 2 2 1 3 2 3 4899.7618 0.0025 0.002 ! 66: 3 2 2 3 2 2 2 3 7141.9785 0.0013 0.002 67: 3 2 1 3 2 2 1 3 7142.6564 -0.028 UNFITTD 7142.6851 68: 3 2 1 3 2 2 1 2 7142.6978 -0.027 UNFITTD 7142.7252 69: 3 2 2 4 2 2 2 3 7143.1871 0.0000 0.002 70: 3 2 2 4 2 2 2 4 7143.2157 0.0015 0.002 71: 3 2 1 2 2 2 1 1 7143.4794 -0.029 UNFITTD 7143.5091 72: 3 2 1 2 2 2 1 3 7143.5129 -0.029 UNFITTD 7143.5424 73: 3 2 1 2 2 2 1 2 7143.5541 -0.028 UNFITTD 7143.5826 74: 3 3 2 5 2 3 2 5 7171.5119 -0.0003 0.002 75: 3 3 1 3 2 3 1 3 7171.5487 -0.029 UNFITTD 7171.5781 76: 3 3 0 3 2 3 0 3 7171.6206 0.0000 0.002 77: 3 3 2 2 2 3 2 3 7172.3880 -0.0005 0.002 78: 3 3 0 3 2 3 2 4 7172.4302 0.0008 0.002 79: 3 5 2 6 2 4 2 6 7212.6483 -0.0021 0.002 80: 3 5 2 5 2 4 2 5 7213.0970 0.0007 0.002 -0.0001 0.49 81: 3 4 2 4 2 3 2 4 7213.0970 -0.0010 0.002 -0.0001 0.51 82: 3 4 1 3 2 3 1 3 7213.1715 0.0044 0.002 0.0015 0.34 83: 3 4 2 5 2 3 2 5 7213.1715 0.0000 0.002 0.0015 0.66 84: 3 5 2 4 2 4 0 4 7213.2073 -0.0010 0.002 85: 3 4 2 4 2 3 2 3 7213.3684 -0.0002 0.002 86: 3 4 2 2 2 3 2 2 7214.8167 -0.0019 0.002 87: 3 4 0 4 2 3 2 4 7215.1759 0.0013 0.002 88: 3 5 2 3 2 4 2 3 7215.2409 -0.0010 0.002 89: 3 5 1 5 2 4 1 5 7215.3638 -0.030 UNFITTD 7215.3939 90: 3 5 0 5 2 4 2 5 7215.9895 -0.0007 0.002 91: 3 2 2 4 2 1 2 3 7237.7053 -0.0003 0.002 92: 3 2 1 2 2 1 1 2 7238.0222 -0.023 UNFITTD 7238.0453 93: 3 2 1 2 2 1 1 1 7238.0222 -0.031 UNFITTD 7238.0541 94: 3 4 2 2 2 4 2 2 7307.2646 -0.008 UNFITTD 7307.2732 95: 3 4 1 4 2 4 1 4 7307.3130 -0.035 UNFITTD 7307.3487 96: 3 4 0 4 2 4 0 4 7307.3130 -0.039 UNFITTD 7307.3526 97: 3 4 2 6 2 4 2 6 7307.3937 -0.007 UNFITTD 7307.4015 98: 3 4 2 3 2 4 2 3 7307.5570 0.006 UNFITTD 7307.5504 99: 3 4 1 5 2 4 1 5 7307.5784 -0.028 UNFITTD 7307.6069 100: 3 4 1 3 2 4 1 3 7307.6813 -0.026 UNFITTD 7307.7075 101: 3 4 2 5 2 4 2 5 7307.7484 0.0004 0.002 102: 3 4 2 4 2 4 2 4 7307.9293 0.0012 0.002 -------------------------------------------------------------------------------------========= 32 Lines rejected from fit PARAMETERS IN FIT (values truncated and Nlines statistics): 100 B /MHz 1203.16172(17) 1 200 DJ /kHz 4.865(11) 2 110010000 Br:3Chi/2 /MHz 559.6819(45) 3 110010100 Br:3ChiJ/2 /MHz 0.00511(63) 4 220010000 N:3Chi/2 /MHz -6.5074(18) 5 -330010000 . /MHz -6.5074(18) = 1.00000 * 5 10000000 Br:Mbb /MHz 0.00135(15) 6 MICROWAVE AVG = -0.000015 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001669 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.83427 0.83427 distinct frequency lines in fit: 56 distinct parameters of fit: 6 lines rejected from fit: 32 upper state lower state overall limits of quantum number 1: 1 3 0 2 0 3 limits of quantum number 2: 1 5 1 4 1 5 limits of quantum number 3: 0 2 0 2 0 2 limits of quantum number 4: 1 6 1 6 1 6 frequency range: 2314 7307 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 100 B /MHz 1203.16173(15) 1 200 DJ /kHz 4.865(10) 2 110010000 Br:3Chi/2 /MHz 559.6819(39) 3 110010100 Br:3ChiJ/2 /MHz 0.00511(55) 4 220010000 N:3Chi/2 /MHz -6.5074(16) 5 -330010000 . /MHz -6.5074(16) = 1.00000 * 5 10000000 Br:Mbb /MHz 0.00136(13) 6 CORRELATION COEFFICIENTS, C.ij: B -DJ Br:3Chi/ Br:3ChiJ N:3Chi/2 Br:Mbb B 1.0000 -DJ -0.9289 1.0000 Br:3Chi/2 0.1368 -0.0776 1.0000 Br:3ChiJ/2 -0.1742 0.1360 -0.7441 1.0000 N:3Chi/2 0.1007 -0.0498 -0.0180 0.0683 1.0000 Br:Mbb -0.1472 0.2465 -0.0083 -0.0317 -0.0561 1.0000 Mean value of |C.ij|, i.ne.j = 0.1950 Mean value of C.ij, i.ne.j = -0.1032 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 18: -2.7 5: -2.6 48: 1.8 8: 1.7 51: -1.4 64: -1.4 65: 1.2 16: 1.1 79: -1.0 86: -0.9 59: -0.9 57: -0.9 70: 0.8 82: 0.7 30: 0.7 26: 0.7 22: 0.6 66: 0.6 45: 0.6 87: 0.6 102: 0.6 61: 0.5 88: -0.5 10: 0.5 84: -0.5 44: 0.4 55: 0.4 33: -0.4 27: -0.4 78: 0.4 19: -0.3 36: -0.3 54: 0.3 90: -0.3 14: 0.3 35: -0.3 11: -0.3 77: -0.2 101: 0.2 40: 0.2 32: 0.2 20: 0.2 74: -0.1 91: -0.1 85: -0.1 1: 0.1 53: -0.1 52: -0.1 63: -0.1 80: -0.1 18: 1 3 1 3 0 2 1 3 2388.8589 -0.0054 0.002 5: 1 1 2 2 0 2 2 3 2314.2409 -0.0006 0.002 -0.0053 0.45 48: 2 3 2 5 1 2 2 4 4805.0747 0.0036 0.002 8: 1 3 2 3 0 2 0 2 2386.9239 0.0015 0.002 0.0034 0.75 51: 2 3 2 2 1 2 2 1 4805.9673 -0.0028 0.002 64: 2 3 1 4 1 3 2 4 4898.8560 -0.0027 0.002 65: 2 3 2 2 1 3 2 3 4899.7618 0.0025 0.002 16: 1 3 2 5 0 2 2 4 2388.5912 0.0022 0.002 79: 3 5 2 6 2 4 2 6 7212.6483 -0.0021 0.002 86: 3 4 2 2 2 3 2 2 7214.8167 -0.0019 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM