(H2O...H(18O)H)...H79Br: S Fri Oct 27 09:09:52 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! [H2O...H(18O)H]...H79Br: S ! 1: 2 0 2 4 1 0 1 3 7068.1507 -0.0001 0.002 2: 2 0 2 3 1 0 1 2 7072.6880 0.0113 0.005 ! 3: 2 1 1 4 1 1 0 3 7583.4521 0.0018 0.002 4: 2 1 1 3 1 1 0 2 7629.6777 -0.0020 0.002 ! 5: 3 1 3 3 2 1 2 3 9896.6098 -0.0004 0.002 6: 3 1 3 5 2 1 2 4 9914.4579 -0.0023 0.002 7: 3 1 3 2 2 1 2 1 9921.2541 -0.0007 0.002 8: 3 1 3 4 2 1 2 3 9926.2715 0.0027 0.002 9: 3 1 3 3 2 1 2 2 9933.5885 0.0011 0.002 ! 10: 3 0 3 3 2 0 2 3 10492.6005 0.0004 0.002 11: 3 0 3 5 2 0 2 4 10513.1086 -0.0045 0.002 12: 3 0 3 4 2 0 2 3 10516.8897 0.0050 0.002 13: 3 0 3 2 2 0 2 1 10521.8616 -0.0034 0.002 14: 3 0 3 3 2 0 2 2 10525.7817 0.0004 0.002 ! 15: 3 1 2 5 2 1 1 4 11358.6599 -0.0053 0.002 16: 3 1 2 3 2 1 1 2 11362.9936 0.0047 0.002 17: 3 1 2 3 2 1 1 3 11367.9072 -0.0021 0.002 18: 3 1 2 4 2 1 1 3 11370.2249 0.0027 0.002 ! 19: 4 1 4 6 3 1 3 5 13183.9866 -0.0008 0.002 20: 4 1 4 3 3 1 3 2 13188.7387 -0.0006 0.002 21: 4 1 4 5 3 1 3 4 13189.2043 0.0008 0.002 22: 4 1 4 4 3 1 3 3 13195.0867 0.0002 0.002 ! 23: 4 0 4 6 3 0 3 5 13854.6716 0.0002 0.002 24: 4 0 4 3 3 0 3 2 13858.4388 -0.0019 0.002 25: 4 0 4 5 3 0 3 4 13859.7847 0.0010 0.002 26: 4 0 4 4 3 0 3 3 13863.9083 0.0014 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6401.181(98) 1 20000 B /MHz 2018.1503(11) 2 30000 C /MHz 1537.00536(87) 3 200 DJ /kHz 3.745(36) 4 1100 DJK /kHz 9.08(56) 5 2000 DK /kHz [-59.] 6 40100 delJ /kHz 0.944(26) 7 41000 delK /kHz [12.] 8 110010000 chi.aa*3/2 /MHz 270.832(11) 9 110040000 chi(b-c)/4 /MHz 59.7907(51) 10 110610000 chi.ab /MHz -282.78(16) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00202(30) 13 -10030000 M.cc /MHz 0.00202(30) = 1.00000 * 13 MICROWAVE AVG = 0.000378 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.003288 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.29168 1.29168 distinct frequency lines in fit: 26 distinct parameters of fit: 10 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: 1 4 0 3 0 4 limits of quantum number 4: 2 6 1 5 1 6 frequency range: 7068 13863 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6401.18(16) 1 20000 B /MHz 2018.1504(18) 2 30000 C /MHz 1537.0054(14) 3 200 DJ /kHz 3.745(59) 4 1100 DJK /kHz 9.08(92) 5 2000 DK /kHz [-59.] 6 40100 delJ /kHz 0.945(43) 7 41000 delK /kHz [12.] 8 110010000 chi.aa*3/2 /MHz 270.833(19) 9 110040000 chi(b-c)/4 /MHz 59.7907(83) 10 110610000 chi.ab /MHz -282.79(27) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00202(49) 13 -10030000 M.cc /MHz 0.00202(49) = 1.00000 * 13 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 10020000 M.bb {+IMJ /MHz 0.00202(49) 13 24.5 -10030000 M.cc /MHz 0.00202(49) = 1.00000 * 13 24.5 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -delJ chi.aa*3 chi(b-c) A 1.0000 B 0.4864 1.0000 C -0.7120 -0.7982 1.0000 -DJ -0.9196 -0.7066 0.7077 1.0000 -DJK 0.9428 0.2714 -0.6036 -0.8066 1.0000 -delJ -0.7001 -0.9420 0.8893 0.8474 -0.5185 1.0000 chi.aa*3/2 -0.2632 -0.2571 0.2897 0.2695 -0.2297 0.2868 1.0000 chi(b-c)/4 -0.1693 -0.2486 0.3055 0.1699 -0.1708 0.2284 0.0309 1.0000 chi.ab 0.6123 0.4977 -0.6223 -0.6351 0.5876 -0.5911 -0.0942 -0.3000 M.bb {+IMJ 0.1353 -0.0392 -0.0145 -0.1083 0.1829 -0.0016 -0.0847 -0.0358 chi.ab M.bb {+I chi.ab 1.0000 M.bb {+IMJ 0.3168 1.0000 Mean value of |C.ij|, i.ne.j = 0.4140 Mean value of C.ij, i.ne.j = -0.0559 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 15: -2.6 12: 2.5 16: 2.4 2: 2.3 11: -2.2 13: -1.7 18: 1.4 8: 1.4 6: -1.1 17: -1.0 4: -1.0 24: -0.9 3: 0.9 26: 0.7 9: 0.6 25: 0.5 21: 0.4 19: -0.4 7: -0.3 20: -0.3 10: 0.2 5: -0.2 14: 0.2 23: 0.1 22: 0.1 1: -0.1 15: 3 1 2 5 2 1 1 4 11358.6599 -0.0053 0.002 12: 3 0 3 4 2 0 2 3 10516.8897 0.0050 0.002 16: 3 1 2 3 2 1 1 2 11362.9936 0.0047 0.002 2: 2 0 2 3 1 0 1 2 7072.6880 0.0113 0.005 11: 3 0 3 5 2 0 2 4 10513.1086 -0.0045 0.002 13: 3 0 3 2 2 0 2 1 10521.8616 -0.0034 0.002 18: 3 1 2 4 2 1 1 3 11370.2249 0.0027 0.002 8: 3 1 3 4 2 1 2 3 9926.2715 0.0027 0.002 6: 3 1 3 5 2 1 2 4 9914.4579 -0.0023 0.002 17: 3 1 2 3 2 1 1 3 11367.9072 -0.0021 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM