(H218O...HOH)...H81Br: W Fri Oct 27 09:13:53 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! (H218O...HOH)...H81Br: W ! 1: 2 0 2 4 1 0 1 3 6933.6925 -0.0057 0.002 2: 2 0 2 3 1 0 1 2 6937.6334 0.0002 0.002 ! 3: 3 1 3 5 2 1 2 4 9746.4738 0.0017 0.002 4: 3 1 3 4 2 1 2 3 9754.5224 0.0005 0.002 5: 3 1 3 3 2 1 2 2 9761.5024 0.0000 0.002 ! 6: 3 0 3 5 2 0 2 4 10322.0803 0.0023 0.002 7: 3 0 3 4 2 0 2 3 10325.5189 -0.0007 0.002 ! 8: 3 1 2 5 2 1 1 4 11113.9945 0.0032 0.002 9: 3 1 2 4 2 1 1 3 11121.9930 -0.0009 0.002 ! 10: 4 1 4 6 3 1 3 5 12963.6085 -0.0020 0.002 11: 4 1 4 5 3 1 3 4 12967.4440 0.0010 0.002 12: 4 1 3 6 3 1 2 5 14777.8840 -0.0005 0.002 13: 4 1 3 5 3 1 2 4 14783.4313 -0.0004 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6509.595(83) 1 20000 B /MHz 1970.15656(91) 2 30000 C /MHz 1514.65966(80) 3 200 DJ /kHz 3.838(11) 4 1100 DJK /kHz [ 7.73] 5 2000 DK /kHz [-50.] 6 40100 delJ /kHz 0.995(14) 7 41000 delK /kHz [11.] 8 110010000 chi.aa*3/2 /MHz 179.369(46) 9 110040000 chi(b-c)/4 /MHz 57.806(18) 10 110610000 chi.ab /MHz -242.76(15) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.00208] 13 -10030000 M.cc /MHz [ 0.00208] = 1.00000 * 13 MICROWAVE AVG = -0.000091 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002123 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.06171 1.06171 distinct frequency lines in fit: 13 distinct parameters of fit: 8 upper state lower state overall limits of quantum number 1: 2 4 1 3 1 4 limits of quantum number 2: 0 1 0 1 0 1 limits of quantum number 3: 2 4 1 3 1 4 limits of quantum number 4: 3 6 2 5 2 6 frequency range: 6933 14783 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6509.60(14) 1 20000 B /MHz 1970.1566(15) 2 30000 C /MHz 1514.6597(13) 3 200 DJ /kHz 3.838(20) 4 1100 DJK /kHz [ 7.73] 5 2000 DK /kHz [-50.] 6 40100 delJ /kHz 0.996(25) 7 41000 delK /kHz [11.] 8 110010000 chi.aa*3/2 /MHz 179.369(78) 9 110040000 chi(b-c)/4 /MHz 57.807(32) 10 110610000 chi.ab /MHz -242.77(26) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.00208] 13 -10030000 M.cc /MHz [ 0.00208] = 1.00000 * 13 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -delJ chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.0649 1.0000 C -0.3673 -0.6954 1.0000 -DJ -0.0916 -0.5092 -0.1400 1.0000 -delJ -0.2589 -0.8723 0.8985 0.1983 1.0000 chi.aa*3/2 0.3474 0.2174 -0.1481 -0.2537 -0.1865 1.0000 chi(b-c)/4 -0.0557 -0.1587 -0.1101 0.3101 -0.0250 -0.4979 1.0000 chi.ab -0.1837 -0.0920 0.1463 0.1055 0.2314 -0.3406 0.1586 1.0000 Mean value of |C.ij|, i.ne.j = 0.2738 Mean value of C.ij, i.ne.j = -0.0824 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 1: -2.9 8: 1.6 6: 1.1 10: -1.0 3: 0.8 11: 0.5 9: -0.4 7: -0.3 4: 0.2 12: -0.2 13: -0.2 2: 0.1 5: 0.0 1: 2 0 2 4 1 0 1 3 6933.6925 -0.0057 0.002 8: 3 1 2 5 2 1 1 4 11113.9945 0.0032 0.002 6: 3 0 3 5 2 0 2 4 10322.0803 0.0023 0.002 10: 4 1 4 6 3 1 3 5 12963.6085 -0.0020 0.002 3: 3 1 3 5 2 1 2 4 9746.4738 0.0017 0.002 11: 4 1 4 5 3 1 3 4 12967.4440 0.0010 0.002 9: 3 1 2 4 2 1 1 3 11121.9930 -0.0009 0.002 7: 3 0 3 4 2 0 2 3 10325.5189 -0.0007 0.002 4: 3 1 3 4 2 1 2 3 9754.5224 0.0005 0.002 12: 4 1 3 6 3 1 2 5 14777.8840 -0.0005 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM