Pyrimidine, 13C(5), Valladolid data, S-IIIl Wed Apr 06 23:54:08 2016 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 5 5 0 4 4 1 63757.7500 0.0084 0.050 2: 6 4 2 5 5 1 63484.5800 0.0272 0.050 3: 6 6 0 5 5 1 75825.7700 -0.0396 0.050 4: 6 6 1 5 5 0 70815.1200 0.0484 0.050 5: 6 5 2 5 4 1 64539.1000 -0.0429 0.050 6: 13 11 2 13 10 3 14397.8850 0.0045 0.010 7: 14 12 2 14 11 3 14166.6080 -0.0070 0.010 8: 15 13 2 15 12 3 13909.1660 0.0027 0.010 9: 13 13 1 13 12 2 12220.5590 0.0000 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6132.8195(30) 1 20000 B /MHz 6067.3753(20) 2 30000 C /MHz 3049.332(32) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.84(53) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.0288(89) 7 50000 d2 /kHz 0.041(11) 8 MICROWAVE AVG = 0.000181 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.027196 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.61533 0.61533 distinct frequency lines in fit: 9 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 5 15 4 15 4 15 limits of quantum number 2: 4 13 4 12 4 13 limits of quantum number 3: 0 2 0 3 0 3 frequency range: 12220 75825 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6132.8196(32) 1 20000 B /MHz 6067.3754(22) 2 30000 C /MHz 3049.332(34) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.84(56) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.0288(94) 7 50000 d2 /kHz 0.042(12) 8 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 40100 d1 /kHz -0.0288(94) 7 32.9 50000 d2 /kHz 0.042(12) 8 28.7 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJK d1 d2 A 1.0000 B 0.4732 1.0000 C -0.4487 0.1160 1.0000 -DJK 0.3023 -0.0680 -0.9521 1.0000 d1 0.4737 -0.1414 -0.9669 0.9572 1.0000 d2 0.1905 -0.0642 -0.8931 0.9874 0.9128 1.0000 Mean value of |C.ij|, i.ne.j = 0.5298 Mean value of C.ij, i.ne.j = 0.0586 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 4: 1.0 5: -0.9 3: -0.8 7: -0.7 2: 0.5 6: 0.4 8: 0.3 1: 0.2 9: 0.0 4: 6 6 1 5 5 0 70815.1200 0.0484 0.050 5: 6 5 2 5 4 1 64539.1000 -0.0429 0.050 3: 6 6 0 5 5 1 75825.7700 -0.0396 0.050 7: 14 12 2 14 11 3 14166.6080 -0.0070 0.010 2: 6 4 2 5 5 1 63484.5800 0.0272 0.050 6: 13 11 2 13 10 3 14397.8850 0.0045 0.010 8: 15 13 2 15 12 3 13909.1660 0.0027 0.010 1: 5 5 0 4 4 1 63757.7500 0.0084 0.050 9: 13 13 1 13 12 2 12220.5590 0.0000 0.010 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM