(H2O...H18OH)...H81Br: W Fri Oct 27 09:11:08 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! [H2O...H(18O)H]...H81Br: W ! 1: 2 0 2 4 1 0 1 3 7019.3979 0.0016 0.002 ! 2: 3 1 3 5 2 1 2 4 9849.6678 -0.0005 0.002 3: 3 1 3 4 2 1 2 3 9859.5908 0.0021 0.002 4: 3 1 3 3 2 1 2 2 9865.6968 -0.0009 0.002 ! 5: 3 0 3 5 2 0 2 4 10442.0598 -0.0035 0.002 6: 3 0 3 4 2 0 2 3 10445.2078 0.0008 0.002 ! 7: 3 1 2 5 2 1 1 4 11274.6863 0.0001 0.002 ! 8: 4 1 4 6 3 1 3 5 13097.9304 0.0004 0.002 9: 4 1 4 5 3 1 3 4 13102.3710 -0.0013 0.002 10: 4 1 4 4 3 1 3 3 13107.2192 0.0005 0.002 ! 11: 4 0 4 6 3 0 3 5 13764.1028 0.0010 0.002 12: 4 0 4 5 3 0 3 4 13768.3357 0.0010 0.002 13: 4 0 4 4 3 0 3 3 13771.8071 -0.0010 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6402.595(69) 1 20000 B /MHz 2002.3819(26) 2 30000 C /MHz 1527.4881(12) 3 200 DJ /kHz 3.831(49) 4 1100 DJK /kHz [ 7.73] 5 2000 DK /kHz [-50.] 6 40100 delJ /kHz 1.056(50) 7 41000 delK /kHz [11.] 8 110010000 chi.aa*3/2 /MHz 226.709(59) 9 110040000 chi(b-c)/4 /MHz 49.884(18) 10 110610000 chi.ab /MHz -237.12(68) 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 = 0.000027 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.001463 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.73171 0.73171 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: 7019 13771 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6402.595(81) 1 20000 B /MHz 2002.3819(31) 2 30000 C /MHz 1527.4881(14) 3 200 DJ /kHz 3.831(57) 4 1100 DJK /kHz [ 7.73] 5 2000 DK /kHz [-50.] 6 40100 delJ /kHz 1.056(58) 7 41000 delK /kHz [11.] 8 110010000 chi.aa*3/2 /MHz 226.709(69) 9 110040000 chi(b-c)/4 /MHz 49.884(21) 10 110610000 chi.ab /MHz -237.12(80) 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 0.8636 1.0000 C -0.7270 -0.9036 1.0000 -DJ -0.9362 -0.9240 0.7152 1.0000 -delJ -0.9068 -0.9740 0.8846 0.9504 1.0000 chi.aa*3/2 0.3122 0.4226 -0.3523 -0.3168 -0.3236 1.0000 chi(b-c)/4 0.0922 -0.0149 0.0511 -0.1113 -0.0835 -0.3706 1.0000 chi.ab -0.2141 -0.1128 -0.0543 0.2385 0.1670 -0.2641 -0.4099 1.0000 Mean value of |C.ij|, i.ne.j = 0.4535 Mean value of C.ij, i.ne.j = -0.1179 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 5: -1.8 3: 1.0 1: 0.8 9: -0.6 13: -0.5 12: 0.5 11: 0.5 4: -0.4 6: 0.4 10: 0.2 2: -0.2 8: 0.2 7: 0.1 5: 3 0 3 5 2 0 2 4 10442.0598 -0.0035 0.002 3: 3 1 3 4 2 1 2 3 9859.5908 0.0021 0.002 1: 2 0 2 4 1 0 1 3 7019.3979 0.0016 0.002 9: 4 1 4 5 3 1 3 4 13102.3710 -0.0013 0.002 13: 4 0 4 4 3 0 3 3 13771.8071 -0.0010 0.002 12: 4 0 4 5 3 0 3 4 13768.3357 0.0010 0.002 11: 4 0 4 6 3 0 3 5 13764.1028 0.0010 0.002 4: 3 1 3 3 2 1 2 2 9865.6968 -0.0009 0.002 6: 3 0 3 4 2 0 2 3 10445.2078 0.0008 0.002 10: 4 1 4 4 3 1 3 3 13107.2192 0.0005 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM