ASFIT version 29.V.2015 _______________________________________________________________________________ Camphor, 18O _______________________________________________________________________________ Fit of Watson's Hamiltonian --> reduction-A, representation-I.r : A = 1446.2534723560972906853 +- 0.0060541997895916357 B = 1148.6667649266769331007 +- 0.0002643308808102069 C = 1067.2580905464444640529 +- 0.0001740673529965992 DJ = 0.0000334914679952345 DJK = 0.0000836263097831215 DK = -0.0000656076906905046 dJ = 0.0000028691560645696 dK = 0.0000249019216237808 Deviation of fit = 0.001408 Weighted deviation of fit = 0.703769 ------------------------------------------------------------------------------------------------------ TRANSITION Observed Obs-Calc Error Note Blend components ------------------------------------------------------------------------------------------------------ ! 1. 4 1 4 3 1 3 8676.1001 0.0001 0.0020 2. 4 0 4 3 0 3 8739.7319 0.0010 0.0020 3. 4 1 3 3 1 2 8992.0243 -0.0012 0.0020 4. 5 1 5 4 1 4 10827.1650 0.0005 0.0020 5. 5 0 5 4 0 4 10870.1739 -0.0015 0.0020 6. 5 1 4 4 1 3 11201.8184 0.0010 0.0020 ------------------------------------------------------------------------------------------------------ Sigma = 0.001408 6 Distinct lines in fit Sigma.w = 0.703769 3 Degrees of freedom A /MHz 1446.2534(60) LJK /mHz 0.0 B /MHz 1148.66676(26) LKKJ/mHz 0.0 C /MHz 1067.25809(17) LK /mHz 0.0 DJ /kHz 0.0334914679952345 lJ /mHz 0.0 DJK /kHz 0.0836263097831216 lJK /mHz 0.0 DK /kHz -0.0656076906905046 lKJ /mHz 0.0 dJ /kHz 0.0028691560645696 lK /mHz 0.0 dK /kHz 0.0249019216237808 PJ /microHz 0.0 HJ / Hz 0.0 PJJK /microHz 0.0 HJK / Hz 0.0 PJK /microHz 0.0 HKJ / Hz 0.0 PKJ /microHz 0.0 HK / Hz 0.0 PKKJ /microHz 0.0 hJ / Hz 0.0 PK /microHz 0.0 hJK / Hz 0.0 pJ /microHz 0.0 hK / Hz 0.0 pJJK /microHz 0.0 LJ /mHz 0.0 pJK /microHz 0.0 LJJK/mHz 0.0 pKKJ /microHz 0.0 pK /microHz 0.0 CORRELATION COEFFICIENTS, C.ij: A B C A 1.0000 B -0.4834 1.0000 C -0.7777 0.0419 1.0000 Mean value of |C.ij|, i.ne.j = 0.4343 Mean value of C.ij, i.ne.j = -0.4064 Distribution of values of |C.ij|, i.ne.j: 10 20 30 40 50 60 ....,....|....,....|....,....|....,....|....,....|....,....|....,.. 1 <0.05 * 0 <0.10 0 <0.15 0 <0.20 0 <0.25 0 <0.30 0 <0.35 0 <0.40 0 <0.45 1 <0.50 * 0 <0.55 0 <0.60 0 <0.65 0 <0.70 0 <0.75 1 <0.80 * 0 <0.85 0 <0.90 0 <0.95 0 <1.00 _______________________________________________________________________________ MOST INFLUENTIAL TRANSITIONS: Observed Obs-Calc hjj > 0.500 6. 5 1 4 4 1 3 11201.8184 0.0010 0.5825 5. 5 0 5 4 0 4 10870.1739 -0.0015 0.5750 3. 4 1 3 3 1 2 8992.0243 -0.0012 0.5634 4. 5 1 5 4 1 4 10827.1650 0.0005 0.5412 mean of all values = 0.5000 WORST FITTING LINES (line number=(o-c)/error): 5= -0.7 3= -0.6 6= 0.5 2= 0.5 4= 0.3 1= 0.0 _______________________________________________________________________________