(HDO)(HCl)2 Mon Mar 14 10:25:10 2011 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= ! 1/ 2 1 2 3 4 1 0 1 3 4 8848.5035 0.0312 0.010 2: 2 1 2 2 4 1 0 1 2 3 8851.3129 -0.0205 0.010 3: 2 1 2 1 3 1 0 1 1 2 8855.9520 0.0116 0.010 4: 2 1 2 0 2 1 0 1 2 1 8857.5159 0.0119 0.010 5: 2 1 2 3 5 1 0 1 3 4 8858.4433 0.0031 0.010 6: 2 1 2 3 3 1 0 1 2 2 8859.0604 -0.0087 0.010 7: 2 1 2 2 4 1 0 1 3 3 8864.2886 0.0149 0.010 8: 2 1 2 2 1 1 0 1 2 1 8864.9684 0.0107 0.010 9: 2 1 2 2 3 1 0 1 2 2 8867.0109 -0.0289 0.010 -0.0231 0.62 10: 2 1 2 3 2 1 0 1 2 2 8867.0109 -0.0132 0.010 -0.0231 0.38 ! 11: 3 1 3 3 2 2 0 2 3 1 11418.0439 0.0007 0.010 12: 3 1 3 3 2 2 0 2 0 2 11418.1637 0.0019 0.010 13: 3 1 3 3 3 2 0 2 3 2 11420.3694 0.0142 0.010 0.0080 0.65 14: 3 1 3 3 3 2 0 2 3 3 11420.3694 -0.0036 0.010 0.0080 0.35 15: 3 1 3 2 5 2 0 2 2 4 11420.8280 0.0006 0.010 16: 3 1 3 3 4 2 0 2 1 3 11422.4311 -0.0138 0.010 17: 3 1 3 1 4 2 0 2 2 3 11422.7049 -0.0015 0.010 18: 3 1 3 3 5 2 0 2 3 4 11426.7962 0.0062 0.010 19: 3 1 3 3 6 2 0 2 3 5 11427.6922 -0.0071 0.010 20: 3 1 3 1 3 2 0 2 1 2 11430.3040 -0.0018 0.010 21: 3 1 3 2 3 2 0 2 1 2 11431.7710 0.0136 0.010 22: 3 1 3 2 4 2 0 2 1 3 11431.8366 -0.0206 0.010 ! 23: 4 0 4 2 5 3 1 3 2 4 11648.0289 0.0066 0.010 24: 4 0 4 1 4 3 1 3 1 3 11648.6822 -0.0034 0.010 25: 4 0 4 3 6 3 1 3 3 5 11649.5740 -0.0034 0.010 26: 4 0 4 1 3 3 1 3 1 2 11649.8317 -0.0116 0.010 0.0065 0.28 27: 4 0 4 3 7 3 1 3 3 6 11649.8317 0.0134 0.010 0.0065 0.72 28: 4 0 4 0 4 3 1 3 2 3 11650.1419 0.0182 0.010 29: 4 0 4 2 4 3 1 3 0 3 11650.2286 0.0056 0.010 30: 4 0 4 3 5 3 1 3 3 4 11650.6043 -0.0171 0.010 31: 4 0 4 1 5 3 1 3 1 4 11651.3183 -0.0028 0.010 32: 4 0 4 2 6 3 1 3 2 5 11651.8088 0.0024 0.010 ! 33: 4 1 4 3 3 3 0 3 3 2 13850.1200 -0.0182 0.010 34: 4 1 4 3 4 3 0 3 3 3 13850.8635 -0.0147 0.010 35: 4 1 4 3 5 3 0 3 3 4 13851.6668 0.0075 0.010 36: 4 1 4 2 6 3 0 3 2 5 13851.8771 -0.0050 0.010 37: 4 1 4 1 5 3 0 3 1 4 13852.8777 0.0002 0.010 38: 4 1 4 0 4 3 0 3 0 3 13855.2793 0.0028 0.010 39: 4 1 4 1 3 3 0 3 2 3 13855.7215 -0.0087 0.010 40: 4 1 4 3 6 3 0 3 3 5 13856.4588 0.0011 0.010 41: 4 1 4 3 7 3 0 3 3 6 13857.0864 0.0033 0.010 42: 4 1 4 1 4 3 0 3 1 3 13858.8414 0.0001 0.010 ! 43: 5 0 5 2 4 4 1 4 2 3 15007.7227 -0.0069 0.010 44: 5 0 5 2 6 4 1 4 2 5 15008.2656 -0.0086 0.010 45: 5 0 5 3 5 4 1 4 3 4 15008.6244 -0.0011 0.010 46: 5 0 5 1 5 4 1 4 1 4 15008.8972 0.0043 0.010 47: 5 0 5 0 5 4 1 4 0 4 15009.1454 -0.0002 0.010 48: 5 0 5 1 6 4 1 4 1 5 15009.9225 0.0005 0.010 49: 5 0 5 2 7 4 1 4 2 6 15010.1223 0.0029 0.010 ! 50: 2 2 1 2 3 1 1 0 1 2 15175.6222 -0.0138 0.010 51: 2 2 1 3 3 1 1 0 3 3 15176.2877 -0.0102 0.010 52: 2 2 1 2 4 1 1 0 2 3 15178.7325 0.0059 0.010 53: 2 2 1 2 2 1 1 0 0 1 15184.2489 -0.0015 0.010 54: 2 2 1 3 4 1 1 0 3 3 15184.5174 -0.0116 0.010 55: 2 2 1 3 5 1 1 0 3 4 15185.5934 0.0217 0.010 56: 2 2 1 1 3 1 1 0 1 2 15187.3403 -0.0116 0.010 57: 2 2 1 1 2 1 1 0 1 1 15189.4381 0.0187 0.010 58: 2 2 1 1 3 1 1 0 2 2 15191.9516 -0.0034 0.010 59: 2 2 1 3 4 1 1 0 2 3 15192.9267 0.0247 0.010 60: 2 2 1 3 3 1 1 0 3 2 15194.8503 -0.0112 0.010 61: 2 2 1 3 4 1 1 0 3 4 15195.6969 0.0083 0.010 62: 2 2 1 2 2 1 1 0 3 2 15203.2654 -0.0002 0.010 ! 63: 2 2 0 1 2 1 1 1 1 1 15923.3003 -0.0194 0.010 64: 2 2 0 3 2 1 1 1 3 2 15924.7344 -0.0006 0.010 -0.0062 0.44 65: 2 2 0 2 1 1 1 1 3 2 15924.7344 -0.0105 0.010 -0.0062 0.56 66: 2 2 0 1 3 1 1 1 3 2 15932.3394 0.0090 0.010 67: 2 2 0 3 3 1 1 1 2 3 15932.5230 -0.0146 0.010 68: 2 2 0 3 5 1 1 1 3 4 15932.8408 0.0257 0.010 69: 2 2 0 1 1 1 1 1 1 1 15934.1043 -0.0050 0.010 70: 2 2 0 3 3 1 1 1 1 2 15934.8039 0.0062 0.010 71: 2 2 0 3 1 1 1 1 2 2 15936.6263 -0.0181 0.010 72: 2 2 0 0 2 1 1 1 2 2 15936.7453 -0.0043 0.010 73: 2 2 0 3 4 1 1 1 2 3 15940.8149 0.0014 0.010 74: 2 2 0 2 4 1 1 1 3 3 15941.0173 0.0092 0.010 75: 2 2 0 1 3 1 1 1 1 2 15942.3917 -0.0014 0.010 76: 2 2 0 3 4 1 1 1 3 4 15943.6377 0.0024 0.010 77: 2 2 0 2 3 1 1 1 2 2 15944.2319 0.0262 0.010 78: 2 2 0 3 3 1 1 1 3 3 15945.4398 -0.0050 0.010 79: 2 2 0 1 3 1 1 1 3 3 15953.0271 -0.0133 0.010 80: 2 2 0 2 2 1 1 1 2 1 15954.1085 -0.0145 0.010 ! 81: 5 1 5 3 4 4 0 4 2 3 16299.5014 -0.0029 0.010 82: 5 1 5 3 5 4 0 4 3 4 16299.6400 0.0076 0.010 83: 5 1 5 3 6 4 0 4 3 5 16300.1288 0.0003 0.010 84: 5 1 5 2 7 4 0 4 2 6 16300.7180 0.0054 0.010 85: 5 1 5 2 5 4 0 4 2 4 16300.8642 -0.0004 0.010 86: 5 1 5 1 6 4 0 4 1 5 16301.0745 -0.0003 0.010 -0.0066 0.71 87: 5 1 5 3 3 4 0 4 3 2 16301.0745 -0.0221 0.010 -0.0066 0.29 88: 5 1 5 1 4 4 0 4 1 3 16301.4600 -0.0013 0.010 89: 5 1 5 3 7 4 0 4 3 6 16303.6076 0.0069 0.010 90: 5 1 5 3 8 4 0 4 3 7 16304.1725 0.0068 0.010 91: 5 1 5 1 5 4 0 4 1 4 16304.9856 0.0030 0.010 ! 92: 3 2 2 3 5 2 1 1 3 4 18021.0315 0.0051 0.010 93: 3 2 2 3 4 2 1 1 1 3 18022.1770 0.0156 0.010 94: 3 2 2 1 4 2 1 1 3 3 18029.5849 -0.0075 0.010 95: 3 2 2 3 6 2 1 1 3 5 18031.6904 0.0018 0.010 96: 3 2 2 2 4 2 1 1 2 3 18033.9565 0.0041 0.010 97: 3 2 2 2 5 2 1 1 2 4 18035.0836 0.0026 0.010 98: 3 2 2 2 3 2 1 1 3 2 18041.0893 -0.0155 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT: 10000 A /MHz 4587.3023(66) 1 20000 B /MHz 2067.0181(24) 2 30000 C /MHz 1422.8694(15) 3 200 DJ /kHz 2.936(73) 4 1100 DJK /kHz 7.29(27) 5 2000 DK /kHz 17.9(15) 6 40100 dJ /kHz 0.938(38) 7 10000 dK /kHz [ 9.488] 8 110010000 1.5*Xaa /MHz -66.140(19) 9 110040000 (Xb-Xc)/4 /MHz -3.1237(74) 10 110610000 chiab /MHz 27.59(14) 11 220010000 1.5*Xaa /MHz 26.102(29) 12 220040000 (Xb-Xc)/4 /MHz -18.1268(50) 13 220610000 chiab /MHz 21.08(18) 14 MICROWAVE AVG = 0.000088 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.011045 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.10450 1.10450 distinct frequency lines in fit: 93 distinct parameters of fit: 13 for standard parameter errors previous errors are multiplied by: 1.190864 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: 10000 A /MHz 4587.3023(78) 1 20000 B /MHz 2067.0181(28) 2 30000 C /MHz 1422.8694(17) 3 200 DJ /kHz 2.936(86) 4 1100 DJK /kHz 7.29(33) 5 2000 DK /kHz 17.9(18) 6 40100 dJ /kHz 0.938(45) 7 10000 dK /kHz [ 9.488] 8 110010000 1.5*Xaa /MHz -66.140(23) 9 110040000 (Xb-Xc)/4 /MHz -3.1237(88) 10 110610000 chiab /MHz 27.59(17) 11 220010000 1.5*Xaa /MHz 26.102(34) 12 220040000 (Xb-Xc)/4 /MHz -18.1268(59) 13 220610000 chiab /MHz 21.08(21) 14 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ 1.5*Xaa A 1.0000 B -0.0084 1.0000 C -0.8376 0.0362 1.0000 -DJ 0.7478 -0.5305 -0.7985 1.0000 -DJK 0.0803 0.5946 -0.3298 -0.0035 1.0000 -DK -0.9410 -0.1697 0.8758 -0.7029 -0.4020 1.0000 -dJ 0.6498 -0.5544 -0.6591 0.9630 0.0355 -0.6320 1.0000 1.5*Xaa 0.1189 -0.0196 -0.0451 0.0597 -0.0605 -0.0703 0.0563 1.0000 (Xb-Xc)/4 -0.0642 -0.0255 0.1269 -0.0851 -0.1229 0.0986 -0.0811 -0.2461 chiab 0.2103 0.0607 -0.2069 0.1530 0.1778 -0.2603 0.1489 0.0351 1.5*Xaa -0.1009 0.0271 -0.0062 -0.0364 0.0995 0.0566 -0.0356 0.2933 (Xb-Xc)/4 -0.0306 0.0173 -0.0182 0.0051 0.0689 0.0050 0.0180 0.1035 chiab 0.1925 0.0690 -0.1245 0.1008 0.0875 -0.2071 0.1013 0.1534 (Xb-Xc)/ chiab 1.5*Xaa (Xb-Xc)/ chiab (Xb-Xc)/4 1.0000 chiab -0.2162 1.0000 1.5*Xaa -0.5156 0.1978 1.0000 (Xb-Xc)/4 -0.1994 0.1383 0.2104 1.0000 chiab 0.0146 -0.5848 -0.1092 -0.0710 0.0000 Mean value of |C.ij|, i.ne.j = 0.2218 Mean value of C.ij, i.ne.j = -0.0375 Worst fitting lines (obs-calc/error): 1: 3.1 77: 2.6 68: 2.6 59: 2.5 9: -2.3 55: 2.2 22: -2.1 2: -2.0 63: -1.9 57: 1.9 28: 1.8 33: -1.8 71: -1.8 30: -1.7 93: 1.6 98: -1.6 7: 1.5 34: -1.5 67: -1.5 80: -1.4 16: -1.4 50: -1.4 21: 1.4 79: -1.3 4: 1.2 3: 1.2 56: -1.2 54: -1.2 60: -1.1 8: 1.1 51: -1.0 74: 0.9 66: 0.9 39: -0.9 6: -0.9 44: -0.9 61: 0.8 13: 0.8 82: 0.8 35: 0.8 94: -0.8 19: -0.7 89: 0.7 43: -0.7 90: 0.7 23: 0.7 86: -0.7 26: 0.6 64: -0.6 70: 0.6 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM