Pyrimidine, 13C(2), Valladolid data, S-IIIl Wed Apr 06 23:53:38 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 63787.9200 -0.0495 0.050 2: 6 4 2 5 5 1 63392.3700 0.0596 0.050 3: 6 6 0 5 5 1 75848.6900 0.0077 0.050 4: 6 6 1 5 5 0 71122.0900 0.0246 0.050 5: 7 5 3 6 4 2 70338.1400 -0.0435 0.050 6: 13 11 2 13 10 3 13965.8210 0.0055 0.010 7: 15 13 2 15 12 3 13314.9770 -0.0066 0.010 8: 16 14 2 16 13 3 12975.2490 -0.0047 0.010 9: 18 16 2 18 15 3 12336.8520 0.0124 0.010 10: 19 17 2 19 16 3 12068.3290 -0.0063 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6152.6836(32) 1 20000 B /MHz 6067.5538(23) 2 30000 C /MHz 3054.271(16) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.42(16) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.0221(37) 7 50000 d2 /kHz 0.0189(15) 8 MICROWAVE AVG = -0.000077 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.029788 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.79837 0.79837 distinct frequency lines in fit: 10 distinct parameters of fit: 6 upper state lower state overall limits of quantum number 1: 5 19 4 19 4 19 limits of quantum number 2: 4 17 4 16 4 17 limits of quantum number 3: 0 3 0 3 0 3 frequency range: 12068 75848 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6152.6836(40) 1 20000 B /MHz 6067.5539(29) 2 30000 C /MHz 3054.272(21) 3 200 DJ /kHz [ 1.472] 4 1100 DJK /kHz -2.43(21) 5 2000 DK /kHz [ 1.1046] 6 40100 d1 /kHz -0.0221(46) 7 50000 d2 /kHz 0.0189(19) 8 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 40100 d1 /kHz -0.0221(46) 7 21.1 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJK d1 d2 A 1.0000 B 0.3082 1.0000 C -0.1148 -0.4242 1.0000 -DJK -0.0830 0.5386 -0.9284 1.0000 d1 0.2764 0.3293 -0.8825 0.8575 1.0000 d2 0.3686 -0.5958 0.7400 -0.8662 -0.5003 1.0000 Mean value of |C.ij|, i.ne.j = 0.5209 Mean value of C.ij, i.ne.j = -0.0651 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 9: 1.2 2: 1.2 1: -1.0 5: -0.9 7: -0.7 10: -0.6 6: 0.5 4: 0.5 8: -0.5 3: 0.2 9: 18 16 2 18 15 3 12336.8520 0.0124 0.010 2: 6 4 2 5 5 1 63392.3700 0.0596 0.050 1: 5 5 0 4 4 1 63787.9200 -0.0495 0.050 5: 7 5 3 6 4 2 70338.1400 -0.0435 0.050 7: 15 13 2 15 12 3 13314.9770 -0.0066 0.010 10: 19 17 2 19 16 3 12068.3290 -0.0063 0.010 6: 13 11 2 13 10 3 13965.8210 0.0055 0.010 4: 6 6 1 5 5 0 71122.0900 0.0246 0.050 8: 16 14 2 16 13 3 12975.2490 -0.0047 0.010 3: 6 6 0 5 5 1 75848.6900 0.0077 0.050 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM