(H2O)2...H79Br: W' Fri Oct 27 09:19:16 2017 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! a-type: same as for the W-state ! 1: 2 1 2 4 1 1 1 3 6840.1611 0.0043 0.002 ! 2: 2 0 2 2 1 0 1 2 7272.5898 0.0002 0.002 3: 2 0 2 4 1 0 1 3 7297.8513 -0.0016 0.002 ! 4: 2 1 1 4 1 1 0 3 7816.4512 0.0060 0.002 5: 2 1 1 3 1 1 0 2 7858.0821 -0.0018 0.002 ! 6: 3 1 3 5 2 1 2 4 10251.1358 -0.0002 0.002 7: 3 1 3 4 2 1 2 3 10261.8612 0.0046 0.002 8: 3 1 3 3 2 1 2 2 10269.6928 0.0036 0.002 ! 9: 3 0 3 5 2 0 2 4 10861.4632 -0.0009 0.002 10: 3 0 3 4 2 0 2 3 10865.3177 -0.0018 0.002 11: 3 0 3 3 2 0 2 2 10872.9920 0.0017 0.005 ! 12: 3 2 1 5 2 2 0 4 11136.2858 -0.0038 0.002 13: 3 2 1 4 2 2 0 3 11173.2147 0.0000 0.002 ! 14: 3 1 2 5 2 1 1 4 11707.8708 -0.0046 0.002 ! 15: 4 1 4 6 3 1 3 5 13634.2094 -0.0012 0.002 16: 4 1 4 5 3 1 3 4 13639.1144 -0.0041 0.002 17: 4 1 4 4 3 1 3 3 13644.9394 0.0012 0.002 ! 18: 4 0 4 6 3 0 3 5 14325.6133 0.0007 0.002 19: 4 0 4 5 3 0 3 4 14330.9340 -0.0017 0.002 20: 4 0 4 4 3 0 3 3 14334.4818 -0.0053 0.002 ! 21: 4 2 3 6 3 2 2 5 14646.7551 -0.0012 0.002 22: 4 2 3 5 3 2 2 4 14658.1280 0.0001 0.002 23: 4 2 2 6 3 2 1 5 14989.1318 -0.0022 0.002 24: 4 2 2 5 3 2 1 4 14999.9580 0.0023 0.002 25: 4 2 2 4 3 2 1 3 14996.0106 0.0001 0.002 ! 26: 4 1 3 6 3 1 2 5 15566.3177 0.0033 0.002 27: 4 1 3 5 3 1 2 4 15573.4145 0.0052 0.002 28: 4 1 3 4 3 1 2 3 15570.4550 -0.0019 0.002 ! 29: 5 1 5 7 4 1 4 6 16987.8157 0.0021 0.002 30: 5 1 5 5 4 1 4 4 16994.2576 0.0037 0.002 ! 31: 5 0 5 7 4 0 4 6 17677.5642 -0.0026 0.002 32: 5 0 5 6 4 0 4 5 17683.5327 -0.0005 0.002 ! ! b-type: only these differ from those for the W-state ! 33: 1 1 1 1 0 0 0 2 8351.5608 -0.0014 0.002 34: 1 1 1 3 0 0 0 2 8359.9753 0.0031 0.002 35: 1 1 1 2 0 0 0 2 8372.6760 -0.0012 0.002 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A /MHz 6770.402(16) 1 20000 B /MHz 2077.0707(14) 2 30000 C /MHz 1591.8786(12) 3 200 DJ /kHz 4.102(11) 4 1100 DJK /kHz 7.84(10) 5 2000 DK /kHz 50.(16) 6 40100 delJ /kHz 1.0330(69) 7 41000 delK /kHz 12.07(54) 8 110010000 chi.aa*3/2 /MHz 243.0865(91) 9 110040000 chi(b-c)/4 /MHz 64.4330(33) 10 110610000 chi.ab /MHz -287.265(86) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00138(40) 13 -10030000 M.cc /MHz 0.00138(40) = 1.00000 * 13 MICROWAVE AVG = 0.000115 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.002858 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.42258 1.42258 distinct frequency lines in fit: 35 distinct parameters of fit: 12 upper state lower state overall limits of quantum number 1: 1 5 0 4 0 5 limits of quantum number 2: 0 2 0 2 0 2 limits of quantum number 3: 1 5 0 4 0 5 limits of quantum number 4: 1 7 2 6 1 7 frequency range: 6840 17683 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A /MHz 6770.403(28) 1 20000 B /MHz 2077.0708(25) 2 30000 C /MHz 1591.8787(21) 3 200 DJ /kHz 4.102(20) 4 1100 DJK /kHz 7.85(19) 5 2000 DK /kHz 51.(28) 6 40100 delJ /kHz 1.033(12) 7 41000 delK /kHz 12.07(94) 8 110010000 chi.aa*3/2 /MHz 243.087(15) 9 110040000 chi(b-c)/4 /MHz 64.4330(57) 10 110610000 chi.ab /MHz -287.27(15) 11 10010000 M.aa {+IMJ /MHz [ 0.] 12 10020000 M.bb {+IMJ /MHz 0.00138(70) 13 -10030000 M.cc /MHz 0.00138(70) = 1.00000 * 13 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 2000 DK /kHz 51.(28) 6 55.1 10020000 M.bb {+IMJ /MHz 0.00138(70) 13 50.9 -10030000 M.cc /MHz 0.00138(70) = 1.00000 * 13 50.9 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -delJ -delK A 1.0000 B 0.6464 1.0000 C -0.6192 -0.9595 1.0000 -DJ 0.1915 -0.5664 0.5052 1.0000 -DJK -0.6462 -0.0242 -0.0646 -0.6810 1.0000 -DK -0.9971 -0.6383 0.6093 -0.1985 0.6534 1.0000 -delJ 0.0232 -0.4800 0.3979 0.5276 -0.1708 -0.0400 1.0000 -delK -0.6899 -0.9298 0.9516 0.4803 -0.0196 0.6872 0.1717 1.0000 chi.aa*3/2 -0.0976 -0.2782 0.2738 0.2283 -0.1804 0.0915 0.1798 0.2449 chi(b-c)/4 -0.0880 -0.2168 0.2007 0.1594 -0.0598 0.0954 0.1246 0.1918 chi.ab 0.7866 0.7505 -0.7409 -0.1527 -0.2306 -0.7801 -0.0460 -0.7995 M.bb {+IMJ -0.3957 -0.4804 0.4061 0.1947 0.0822 0.4002 0.1437 0.4459 chi.aa*3 chi(b-c) chi.ab M.bb {+I chi.aa*3/2 1.0000 chi(b-c)/4 0.4373 1.0000 chi.ab -0.3011 -0.2078 1.0000 M.bb {+IMJ 0.3161 0.1725 -0.4710 1.0000 Mean value of |C.ij|, i.ne.j = 0.3791 Mean value of C.ij, i.ne.j = -0.0224 Worst correlations, with absolute value greater than 0.9950: 2000 -DK <-> 10000 A -0.997121 Worst fitted lines (obs-calc/error): 4: 3.0 20: -2.6 27: 2.6 7: 2.3 14: -2.3 1: 2.1 16: -2.1 12: -1.9 30: 1.9 8: 1.8 26: 1.6 34: 1.5 31: -1.3 24: 1.1 23: -1.1 29: 1.0 28: -0.9 10: -0.9 5: -0.9 19: -0.8 3: -0.8 33: -0.7 35: -0.6 21: -0.6 15: -0.6 17: 0.6 9: -0.4 18: 0.3 11: 0.3 32: -0.2 2: 0.1 6: -0.1 25: 0.1 22: 0.1 13: 0.0 4: 2 1 1 4 1 1 0 3 7816.4512 0.0060 0.002 20: 4 0 4 4 3 0 3 3 14334.4818 -0.0053 0.002 27: 4 1 3 5 3 1 2 4 15573.4145 0.0052 0.002 7: 3 1 3 4 2 1 2 3 10261.8612 0.0046 0.002 14: 3 1 2 5 2 1 1 4 11707.8708 -0.0046 0.002 1: 2 1 2 4 1 1 1 3 6840.1611 0.0043 0.002 16: 4 1 4 5 3 1 3 4 13639.1144 -0.0041 0.002 12: 3 2 1 5 2 2 0 4 11136.2858 -0.0038 0.002 30: 5 1 5 5 4 1 4 4 16994.2576 0.0037 0.002 8: 3 1 3 3 2 1 2 2 10269.6928 0.0036 0.002 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM