(H2(18O)...HOH)...H79Br: S Fri Oct 27 09:11:55 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! [H2(18O)...HOH]...H79Br: S ! 1: 2 0 2 4 1 0 1 3 6981.8965 0.0001 0.002 ! 2: 3 1 3 5 2 1 2 4 9810.7548 -0.0003 0.002 3: 3 1 3 2 2 1 2 1 9818.6848 0.0007 0.002 4: 3 1 3 4 2 1 2 3 9820.3213 0.0000 0.002 5: 3 1 3 3 2 1 2 2 9828.6794 -0.0005 0.002 ! 6: 3 0 3 5 2 0 2 4 10392.4783 -0.0004 0.002 7: 3 0 3 4 2 0 2 3 10396.5995 0.0010 0.002 8: 3 0 3 2 2 0 2 1 10398.4351 -0.0022 0.002 9: 3 0 3 3 2 0 2 2 10402.9083 0.0016 0.002 ! 10: 3 1 2 5 2 1 1 4 11196.5692 -0.0012 0.002 11: 3 1 2 4 2 1 1 3 11206.0263 -0.0019 0.002 12: 3 1 2 3 2 1 1 2 11197.4595 0.0031 0.002 ! 13: 4 0 4 6 3 0 3 5 13709.5650 -0.0019 0.002 14: 4 0 4 5 3 0 3 4 13715.2793 0.0019 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6509.468(73) 1 20000 B /MHz 1985.5685(72) 2 30000 C /MHz 1524.1293(50) 3 200 DJ /kHz 3.782(68) 4 1100 DJK /kHz [ 7.51] 5 2000 DK /kHz [-59.] 6 40100 delJ /kHz 1.17(16) 7 41000 delK /kHz [12.] 8 110010000 chi.aa*3/2 /MHz 213.932(42) 9 110040000 chi(b-c)/4 /MHz 69.296(11) 10 110610000 chi.ab /MHz -290.40(28) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.00191] 13 -10030000 M.cc /MHz [ 0.00191] = 1.00000 * 13 MICROWAVE AVG = 0.000002 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001519 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.75965 0.75965 distinct frequency lines in fit: 14 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: 2 6 1 5 1 6 frequency range: 6981 13715 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6509.468(84) 1 20000 B /MHz 1985.5685(83) 2 30000 C /MHz 1524.1293(58) 3 200 DJ /kHz 3.782(78) 4 1100 DJK /kHz [ 7.51] 5 2000 DK /kHz [-59.] 6 40100 delJ /kHz 1.17(19) 7 41000 delK /kHz [12.] 8 110010000 chi.aa*3/2 /MHz 213.932(48) 9 110040000 chi(b-c)/4 /MHz 69.297(13) 10 110610000 chi.ab /MHz -290.41(33) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.00191] 13 -10030000 M.cc /MHz [ 0.00191] = 1.00000 * 13 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -delJ chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.2931 1.0000 C -0.1621 -0.9846 1.0000 -DJ -0.6253 -0.9067 0.8229 1.0000 -delJ -0.2436 -0.9972 0.9923 0.8808 1.0000 chi.aa*3/2 0.4586 -0.0342 0.1046 -0.1652 0.0518 1.0000 chi(b-c)/4 0.3771 -0.0360 0.0830 -0.1053 0.0645 0.3650 1.0000 chi.ab -0.4684 0.3770 -0.4793 -0.0809 -0.4092 -0.7031 -0.3818 1.0000 Mean value of |C.ij|, i.ne.j = 0.4162 Mean value of C.ij, i.ne.j = -0.0683 Worst correlations, with absolute value greater than 0.9950: 40100 -delJ <-> 20000 B -0.997204 Worst fitted lines (obs-calc/error): 12: 1.5 8: -1.1 14: 0.9 13: -0.9 11: -0.9 9: 0.8 10: -0.6 7: 0.5 3: 0.3 5: -0.2 6: -0.2 2: -0.1 1: 0.1 4: 0.0 12: 3 1 2 3 2 1 1 2 11197.4595 0.0031 0.002 8: 3 0 3 2 2 0 2 1 10398.4351 -0.0022 0.002 14: 4 0 4 5 3 0 3 4 13715.2793 0.0019 0.002 13: 4 0 4 6 3 0 3 5 13709.5650 -0.0019 0.002 11: 3 1 2 4 2 1 1 3 11206.0263 -0.0019 0.002 9: 3 0 3 3 2 0 2 2 10402.9083 0.0016 0.002 10: 3 1 2 5 2 1 1 4 11196.5692 -0.0012 0.002 7: 3 0 3 4 2 0 2 3 10396.5995 0.0010 0.002 3: 3 1 3 2 2 1 2 1 9818.6848 0.0007 0.002 5: 3 1 3 3 2 1 2 2 9828.6794 -0.0005 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM