(H2(18O)...HOH)...H79Br: W Fri Oct 27 09:13:25 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! [H2(18O)...HOH]...H79Br: W ! 1: 2 0 2 4 1 0 1 3 6981.7728 0.0000 0.002 ! 2: 3 1 3 5 2 1 2 4 9809.9750 0.0021 0.002 3: 3 1 3 4 2 1 2 3 9819.5425 -0.0014 0.002 4: 3 1 3 3 2 1 2 2 9827.9002 -0.0007 0.002 ! 5: 3 0 3 5 2 0 2 4 10392.1579 -0.0012 0.002 6: 3 0 3 4 2 0 2 3 10396.2865 0.0030 0.002 7/ 3 0 3 2 2 0 2 1 10398.1190 -0.0065 0.002 8: 3 0 3 3 2 0 2 2 10402.6042 0.0048 0.002 ! 9: 3 1 2 5 2 1 1 4 11197.0694 -0.0041 0.002 10: 3 1 2 3 2 1 1 2 11197.9680 0.0040 0.002 ! 11: 4 0 4 6 3 0 3 5 13708.9110 0.0000 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6510.569(83) 1 20000 B /MHz 1985.7677(75) 2 30000 C /MHz 1523.8968(53) 3 200 DJ /kHz 3.788(69) 4 1100 DJK /kHz [ 7.82] 5 2000 DK /kHz [-49.] 6 40100 delJ /kHz 1.22(17) 7 41000 delK /kHz [11.3] 8 110010000 chi.aa*3/2 /MHz 214.009(51) 9 110040000 chi(b-c)/4 /MHz 69.286(13) 10 110610000 chi.ab /MHz -289.52(33) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.0025] 13 -10030000 M.cc /MHz [ 0.0025] = 1.00000 * 13 MICROWAVE AVG = 0.000001 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003259 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.62966 1.62966 distinct frequency lines in fit: 11 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 13708 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6510.57(25) 1 20000 B /MHz 1985.768(23) 2 30000 C /MHz 1523.897(16) 3 200 DJ /kHz 3.79(21) 4 1100 DJK /kHz [ 7.82] 5 2000 DK /kHz [-49.] 6 40100 delJ /kHz 1.23(54) 7 41000 delK /kHz [11.3] 8 110010000 chi.aa*3/2 /MHz 214.01(15) 9 110040000 chi(b-c)/4 /MHz 69.287(43) 10 110610000 chi.ab /MHz -289.5(10) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz [ 0.0025] 13 -10030000 M.cc /MHz [ 0.0025] = 1.00000 * 13 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 40100 delJ /kHz 1.23(54) 7 44.1 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJ -delJ chi.aa*3 chi(b-c) chi.ab A 1.0000 B 0.2296 1.0000 C -0.1024 -0.9834 1.0000 -DJ -0.5929 -0.8810 0.7853 1.0000 -delJ -0.1785 -0.9966 0.9916 0.8508 1.0000 chi.aa*3/2 0.5630 -0.0535 0.1317 -0.1916 0.0863 1.0000 chi(b-c)/4 0.2876 0.0742 -0.0541 -0.1142 -0.0477 0.2980 1.0000 chi.ab -0.5648 0.3718 -0.4750 -0.0325 -0.4118 -0.7672 -0.2752 1.0000 Mean value of |C.ij|, i.ne.j = 0.4069 Mean value of C.ij, i.ne.j = -0.0733 Worst correlations, with absolute value greater than 0.9950: 40100 -delJ <-> 20000 B -0.996610 Worst fitted lines (obs-calc/error): 7: -3.2 8: 2.4 9: -2.1 10: 2.0 6: 1.5 2: 1.0 3: -0.7 5: -0.6 4: -0.3 11: 0.0 1: 0.0 7/ 3 0 3 2 2 0 2 1 10398.1190 -0.0065 0.002 8: 3 0 3 3 2 0 2 2 10402.6042 0.0048 0.002 9: 3 1 2 5 2 1 1 4 11197.0694 -0.0041 0.002 10: 3 1 2 3 2 1 1 2 11197.9680 0.0040 0.002 6: 3 0 3 4 2 0 2 3 10396.2865 0.0030 0.002 2: 3 1 3 5 2 1 2 4 9809.9750 0.0021 0.002 3: 3 1 3 4 2 1 2 3 9819.5425 -0.0014 0.002 5: 3 0 3 5 2 0 2 4 10392.1579 -0.0012 0.002 4: 3 1 3 3 2 1 2 2 9827.9002 -0.0007 0.002 11: 4 0 4 6 3 0 3 5 13708.9110 0.0000 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM