Urocanic Acid (conformer II = conformer B) Thu Jan 24 20:03:48 2019 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt / instead of : below denotes (o-c)>3*err -------------------------------------------------------------------------------------========= 1: 2 0 2 3 4 1 0 1 2 3 2205.2520 -0.0032 0.010 2: 2 2 0 1 1 1 1 1 0 1 15282.8160 -0.0116 0.010 3: 2 2 0 2 1 1 1 1 1 1 15280.1730 0.0061 0.010 4: 2 2 0 2 3 1 1 1 1 2 15280.9410 -0.0133 0.010 5: 2 2 0 3 2 1 1 1 1 1 15280.6010 0.0047 0.010 6: 2 2 0 3 3 1 1 1 2 2 15282.2740 0.0024 0.010 7: 2 2 0 3 4 1 1 1 2 3 15281.6880 0.0067 0.010 8: 2 2 1 1 2 1 1 0 0 1 15218.3370 0.0085 0.010 9: 2 2 1 1 2 1 1 0 1 2 15220.3720 -0.0085 0.010 10: 2 2 1 2 2 1 1 0 2 2 15218.5120 -0.0015 0.010 11: 2 2 1 2 3 1 1 0 1 2 15219.7220 -0.0004 0.010 12: 2 2 1 3 3 1 1 0 2 2 15218.9400 0.0022 0.010 13: 2 2 1 3 4 1 1 0 2 3 15219.4900 0.0054 0.010 14: 3 0 3 4 5 2 0 2 3 4 3306.2660 -0.0085 0.010 15: 3 1 3 2 3 2 0 2 1 2 7472.3490 0.0047 0.010 16: 3 1 3 3 4 2 0 2 2 3 7473.0520 -0.0017 0.010 17: 3 1 3 4 4 2 0 2 3 3 7471.8820 0.0019 0.010 18: 3 1 3 4 5 2 0 2 3 4 7472.5440 -0.0161 0.010 19: 3 2 1 2 2 2 1 2 1 1 16449.8100 -0.0173 0.010 20: 3 2 1 2 3 3 1 2 3 3 12862.8290 -0.0051 0.010 21: 3 2 1 3 2 2 1 2 2 1 16447.7740 0.0246 0.010 22: 3 2 1 3 4 2 1 2 2 3 16448.0400 0.0118 0.010 23: 3 2 1 3 4 3 1 2 3 4 12863.5840 0.0058 0.010 24: 3 2 1 4 4 2 1 2 3 3 16449.4620 -0.0226 0.010 25: 3 2 1 4 4 3 1 2 4 4 12862.6330 -0.0208 0.010 26: 3 2 1 4 5 2 1 2 3 4 16448.8170 0.0033 0.010 27: 3 2 1 4 5 3 1 2 4 5 12863.3450 0.0189 0.010 28: 3 2 2 2 2 2 1 1 1 1 16260.0560 -0.0197 0.010 29: 3 2 2 2 2 3 1 3 2 2 13230.3950 -0.0286 0.010 30: 3 2 2 2 3 3 1 3 2 3 13229.8960 0.0028 0.010 31: 3 2 2 3 2 2 1 1 2 1 16261.5500 0.0143 0.010 32: 3 2 2 3 2 3 1 3 3 2 13228.3000 0.0026 0.010 33: 3 2 2 3 3 2 1 1 3 2 16261.3390 -0.0039 0.010 34: 3 2 2 3 3 3 1 3 3 3 13228.8890 0.0088 0.010 35: 3 2 2 3 4 2 1 1 2 3 16261.2350 0.0061 0.010 36: 3 2 2 3 4 3 1 3 3 4 13228.5090 -0.0032 0.010 37: 3 2 2 4 4 2 1 1 3 3 16260.2320 0.0165 0.010 38: 3 2 2 4 4 3 1 3 4 4 13230.1220 -0.0064 0.010 39: 3 2 2 4 5 2 1 1 3 4 16260.8950 0.0222 0.010 40: 3 2 2 4 5 2 2 1 3 4 3308.8380 0.0271 0.010 41: 3 2 2 4 5 3 1 3 4 5 13229.4600 0.0244 0.010 42/ 4 0 4 5 6 3 0 3 4 5 4405.3590 0.0306 0.010 43: 4 1 3 5 6 3 1 2 4 5 4533.6490 -0.0184 0.010 44: 4 1 4 3 4 3 0 3 2 3 8453.5180 -0.0014 0.010 45: 4 1 4 4 3 3 0 3 3 2 8454.4130 -0.0007 0.010 46: 4 1 4 4 5 3 0 3 3 4 8454.2400 -0.0075 0.010 47: 4 1 4 5 5 3 0 3 4 4 8452.9790 -0.0296 0.010 48: 4 1 4 5 6 3 0 3 4 5 8453.7290 0.0255 0.010 49: 4 2 2 3 3 3 1 3 2 2 17651.5500 0.0086 0.010 50: 4 2 2 3 4 3 1 3 2 3 17650.9730 -0.0019 0.010 51: 4 2 2 4 3 3 1 3 3 2 17649.5560 0.0069 0.010 52: 4 2 2 4 3 4 1 3 4 3 12748.0270 -0.0278 0.010 53: 4 2 2 4 4 3 1 3 3 3 17650.1930 0.0164 0.010 54: 4 2 2 4 4 3 1 3 4 3 17650.6870 0.0075 0.010 55: 4 2 2 4 4 4 1 3 4 4 12747.1630 -0.0121 0.010 56: 4 2 2 4 5 3 1 3 3 4 17649.7750 0.0024 0.010 57: 4 2 2 4 5 4 1 3 4 5 12747.8910 0.0039 0.010 58: 4 2 2 5 4 3 1 3 3 3 17649.9870 -0.0008 0.010 59: 4 2 2 5 4 4 1 3 5 4 12747.7070 0.0083 0.010 60: 4 2 2 5 5 3 1 3 4 4 17651.2870 0.0022 0.010 61: 4 2 2 5 5 4 1 3 5 5 12746.8250 -0.0131 0.010 62: 4 2 2 5 6 3 1 3 4 5 17650.5460 -0.0061 0.010 63: 4 2 2 5 6 4 1 3 5 6 12747.5090 0.0018 0.010 64: 4 2 3 3 3 3 1 2 2 2 17270.5400 -0.0037 0.010 65: 4 2 3 3 3 4 1 4 3 3 13354.2460 -0.0045 0.010 66: 4 2 3 3 4 4 1 4 3 4 13353.6390 0.0047 0.010 67: 4 2 3 4 3 3 1 2 3 2 17272.0600 -0.0001 0.010 68: 4 2 3 4 3 4 1 4 4 3 13352.3460 0.0075 0.010 69: 4 2 3 4 4 3 1 2 3 3 17271.0480 0.0037 0.010 70/ 4 2 3 4 5 3 1 2 3 4 17271.8640 0.0357 0.010 71: 4 2 3 4 5 3 2 2 3 4 4411.5020 0.0049 0.010 72: 4 2 3 4 5 4 1 4 4 5 13352.5200 0.0078 0.010 73: 4 2 3 5 4 3 1 2 4 3 17271.6630 0.0056 0.010 74: 4 2 3 5 5 3 1 2 4 4 17270.6760 0.0038 0.010 75: 4 2 3 5 5 4 1 4 5 5 13354.0490 -0.0027 0.010 76: 4 2 3 5 6 3 1 2 4 5 17271.3680 -0.0058 0.010 77: 4 2 3 5 6 3 2 2 4 5 4411.3070 -0.0088 0.010 78: 4 2 3 5 6 4 1 4 5 6 13353.3180 -0.0154 0.010 79: 4 3 1 4 5 3 3 0 3 4 4413.4830 0.0002 0.010 80: 4 3 1 5 6 3 3 0 4 5 4413.0810 -0.0150 0.010 81: 4 3 2 3 4 3 3 1 2 3 4412.9360 0.0168 0.010 82: 5 0 5 6 7 4 0 4 5 6 5501.7950 0.0179 0.010 83: 5 1 5 4 5 4 0 4 3 4 9406.3000 -0.0093 0.010 84: 5 1 5 5 4 4 0 4 4 3 9407.1590 -0.0062 0.010 85/ 5 1 5 5 6 4 0 4 4 5 9406.9860 -0.0385 0.010 86/ 5 1 5 6 6 4 0 4 5 5 9405.7350 -0.0311 0.010 87/ 5 1 5 6 7 4 0 4 5 6 9406.5070 0.0473 0.010 88: 5 1 5 6 7 4 1 4 5 6 5358.0980 0.0134 0.010 89: 5 2 3 5 4 5 1 4 5 4 12608.6260 -0.0096 0.010 90: 5 2 3 5 5 5 1 4 5 5 12607.8230 -0.0006 0.010 91: 5 2 3 5 6 5 1 4 5 6 12608.4940 -0.0091 0.010 92: 5 2 3 6 5 5 1 4 6 5 12608.2040 -0.0130 0.010 93/ 5 2 3 6 6 5 1 4 6 6 12607.3820 -0.0355 0.010 94: 5 2 3 6 7 4 2 2 5 6 5526.4230 0.0135 0.010 95/ 5 2 3 6 7 5 1 4 6 7 12608.0180 -0.0530 0.010 96: 5 2 4 4 4 4 1 3 3 3 18250.2290 -0.0029 0.010 97: 5 2 4 4 4 5 1 5 4 4 13509.4930 0.0006 0.010 98: 5 2 4 4 5 5 1 5 4 5 13508.8300 0.0040 0.010 99: 5 2 4 5 4 4 1 3 4 3 18251.7500 -0.0043 0.010 100: 5 2 4 5 4 5 1 5 5 4 13507.6840 -0.0033 0.010 101: 5 2 4 5 5 4 1 3 4 4 18250.8230 0.0028 0.010 102: 5 2 4 5 5 5 1 5 5 5 13508.4100 -0.0067 0.010 103: 5 2 4 5 6 4 1 3 4 5 18251.5770 0.0009 0.010 104: 5 2 4 5 6 5 1 5 5 6 13507.8400 0.0089 0.010 105: 5 2 4 6 5 4 1 3 5 4 18251.2540 -0.0095 0.010 106: 5 2 4 6 6 4 1 3 5 5 18250.3480 0.0038 0.010 107: 5 2 4 6 6 5 1 5 6 6 13509.3390 -0.0023 0.010 108/ 5 2 4 6 7 4 1 3 5 6 18251.0250 -0.0364 0.010 109: 5 2 4 6 7 4 2 3 5 6 5513.3630 0.0078 0.010 110: 5 2 4 6 7 5 1 5 6 7 13508.6030 -0.0009 0.010 111: 6 0 6 7 8 5 0 5 6 7 6595.0000 0.0049 0.010 112: 6 1 5 7 8 5 1 4 6 7 6797.1470 -0.0064 0.010 113: 6 1 6 5 6 5 0 5 4 5 10332.5420 0.0105 0.010 114: 6 1 6 6 5 5 0 5 5 4 10333.3450 0.0106 0.010 115: 6 1 6 6 7 5 0 5 5 6 10333.2160 -0.0087 0.010 116/ 6 1 6 7 8 5 0 5 6 7 10332.6250 -0.0304 0.010 117: 6 1 6 7 8 5 1 5 6 7 6427.9610 -0.0117 0.010 118: 6 2 4 6 6 6 1 5 6 6 12448.3490 -0.0151 0.010 119: 6 2 4 6 7 6 1 5 6 7 12449.0210 0.0101 0.010 120: 6 2 4 7 7 6 1 5 7 7 12447.9160 -0.0175 0.010 121: 6 2 4 7 8 5 2 3 6 7 6637.6510 0.0059 0.010 122: 6 2 4 7 8 6 1 5 7 8 12448.5640 0.0014 0.010 123: 6 2 5 5 5 6 1 6 5 5 13696.3310 -0.0155 0.010 124: 6 2 5 5 6 6 1 6 5 6 13695.6600 0.0116 0.010 125: 6 2 5 6 5 6 1 6 6 5 13694.6010 -0.0018 0.010 126: 6 2 5 6 7 6 1 6 6 7 13694.7270 0.0012 0.010 127: 6 2 5 7 7 6 1 6 7 7 13696.2110 -0.0132 0.010 128: 6 2 5 7 8 5 2 4 6 7 6614.8290 -0.0130 0.010 129: 6 2 5 7 8 6 1 6 7 8 13695.4820 0.0086 0.010 130: 6 3 3 6 7 5 3 2 5 6 6621.5750 -0.0239 0.010 131: 6 3 3 7 8 5 3 2 6 7 6621.4830 -0.0016 0.010 132: 6 3 4 6 7 5 3 3 5 6 6621.3650 0.0083 0.010 133: 6 3 4 7 8 5 3 3 6 7 6621.2500 0.0082 0.010 134: 7 0 7 8 9 6 0 6 7 8 7684.3880 0.0001 0.010 135: 7 1 6 8 9 6 1 5 7 8 7927.3980 -0.0028 0.010 136: 7 1 7 8 9 6 1 6 7 8 7496.9360 -0.0161 0.010 137: 7 2 5 7 8 7 1 6 7 8 12273.6700 0.0231 0.010 138/ 7 2 5 8 8 7 1 6 8 8 12272.5730 -0.0347 0.010 139: 7 2 5 8 9 6 2 4 7 8 7752.0360 -0.0055 0.010 140: 7 2 5 8 9 7 1 6 8 9 12273.2200 0.0167 0.010 141: 7 2 6 6 7 7 1 7 6 7 13914.3430 0.0085 0.010 142: 7 2 6 7 6 7 1 7 7 6 13913.3780 0.0295 0.010 143: 7 2 6 7 8 7 1 7 7 8 13913.4620 0.0053 0.010 144: 7 2 6 8 8 7 1 7 8 8 13914.9610 0.0091 0.010 145: 7 2 6 8 9 6 2 5 7 8 7715.6510 -0.0179 0.010 146: 7 2 6 8 9 7 1 7 8 9 13914.1910 0.0008 0.010 147: 7 3 4 8 9 6 3 3 7 8 7726.4500 -0.0016 0.010 148: 7 3 5 8 9 6 3 4 7 8 7725.9010 -0.0042 0.010 149: 7 4 4 7 8 6 4 3 6 7 7724.0960 -0.0098 0.010 150: 7 4 4 8 9 6 4 3 7 8 7723.9740 -0.0025 0.010 151: 8 0 8 9 10 7 0 7 8 9 8769.4090 -0.0033 0.010 152: 8 1 7 9 10 7 1 6 8 9 9056.3760 -0.0021 0.010 153: 8 1 8 7 8 7 0 7 6 7 12115.0260 -0.0157 0.010 154: 8 1 8 8 9 7 0 7 7 8 12115.6980 0.0196 0.010 155: 8 1 8 9 9 7 0 7 8 8 12114.4850 0.0100 0.010 156: 8 1 8 9 10 7 0 7 8 9 12115.1400 0.0116 0.010 157: 8 1 8 9 10 7 1 7 8 9 8564.8980 -0.0057 0.010 158: 8 2 6 8 8 8 1 7 8 8 12086.7080 -0.0145 0.010 159: 8 2 6 8 9 8 1 7 8 9 12087.3010 0.0133 0.010 160: 8 2 6 9 10 7 2 5 8 9 8870.0180 -0.0192 0.010 161: 8 2 6 9 10 8 1 7 9 10 12086.8890 0.0266 0.010 162: 8 2 7 8 9 8 1 8 8 9 14164.2650 -0.0264 0.010 163/ 8 2 7 9 9 8 1 8 9 9 14165.8290 0.0411 0.010 164: 8 2 7 9 10 7 2 6 8 9 8815.7210 -0.0095 0.010 165: 8 2 7 9 10 8 1 8 9 10 14165.0280 0.0110 0.010 166: 8 3 5 9 10 7 3 4 8 9 8832.0910 -0.0173 0.010 167: 8 3 6 9 10 7 3 5 8 9 8831.0090 -0.0076 0.010 168: 8 4 4 9 10 7 4 3 8 9 8828.2850 -0.0069 0.010 169: 8 5 3 9 10 7 5 2 8 9 8826.8630 -0.0121 0.010 170: 8 5 4 8 9 7 5 3 7 8 8827.0190 0.0081 0.010 171: 8 6 2 9 10 7 6 1 8 9 8826.1350 0.0120 0.010 172: 8 6 3 8 9 7 6 2 7 8 8826.3150 -0.0032 0.010 173: 9 0 9 10 11 8 0 8 9 10 9849.6030 -0.0014 0.010 174: 9 1 8 10 11 8 1 7 9 10 10183.8570 -0.0027 0.010 175/ 9 1 9 9 10 8 0 8 8 9 12978.0000 0.0314 0.010 176: 9 1 9 10 10 8 0 8 9 9 12976.8400 0.0289 0.010 177: 9 1 9 10 11 8 0 8 9 10 12977.4130 -0.0249 0.010 178: 9 1 9 10 11 8 1 8 9 10 9631.7220 0.0000 0.010 179: 9 2 7 10 11 8 2 6 9 10 9991.9700 -0.0152 0.010 180: 9 2 8 9 10 9 1 9 9 10 14447.4650 -0.0285 0.010 181/ 9 2 8 10 10 9 1 9 10 10 14449.0420 0.0483 0.010 182: 9 2 8 10 11 8 2 7 9 10 9914.9210 0.0011 0.010 183: 9 2 8 10 11 9 1 9 10 11 14448.2240 0.0092 0.010 184: 9 3 6 10 11 8 3 5 9 10 9938.6050 0.0054 0.010 185: 9 3 7 10 11 8 3 6 9 10 9936.5980 -0.0015 0.010 186: 9 4 5 10 11 8 4 4 9 10 9932.9340 -0.0169 0.010 187: 9 5 4 10 11 8 5 3 9 10 9930.9440 0.0041 0.010 188: 9 6 3 10 11 8 6 2 9 10 9929.8740 -0.0076 0.010 189: 9 6 4 9 10 8 6 3 8 9 9930.0220 0.0025 0.010 190: 10 0 10 11 12 9 0 9 10 11 10924.6100 0.0018 0.010 191: 10 1 9 11 12 9 1 8 10 11 11309.6020 0.0002 0.010 192: 10 1 10 10 9 9 0 9 9 8 13825.7340 0.0209 0.010 193: 10 1 10 10 11 9 0 9 9 10 13825.6500 -0.0065 0.010 194/ 10 1 10 11 11 9 0 9 10 10 13824.5860 0.0317 0.010 195: 10 1 10 11 12 9 0 9 10 11 13825.1500 -0.0002 0.010 196: 10 1 10 11 12 9 1 9 10 11 10697.3070 -0.0097 0.010 197/ 10 2 8 11 11 10 1 9 11 11 11703.0300 -0.0467 0.010 198: 10 2 8 11 12 9 2 7 10 11 11118.1300 0.0020 0.010 199/ 10 2 8 11 12 10 1 9 11 12 11703.4480 -0.0660 0.010 200: 10 2 9 10 11 10 1 10 10 11 14763.2930 -0.0164 0.010 201: 10 2 9 11 12 9 2 8 10 11 11013.1280 -0.0024 0.010 202/ 10 2 9 11 12 10 1 10 11 12 14764.0720 0.0435 0.010 203: 10 3 7 11 12 9 3 6 10 11 11046.0970 0.0067 0.010 204: 10 3 8 11 12 9 3 7 10 11 11042.6730 0.0062 0.010 205/ 10 4 6 11 12 9 4 5 10 11 11037.9710 -0.0332 0.010 206: 10 5 5 11 12 9 5 4 10 11 11035.2390 -0.0054 0.010 207: 10 6 4 11 12 9 6 3 10 11 11033.7950 -0.0064 0.010 208: 11 0 11 12 13 10 0 10 11 12 11994.2050 -0.0013 0.010 209: 11 1 10 12 13 10 1 9 11 12 12433.3380 -0.0024 0.010 210: 11 1 11 11 12 10 0 10 10 11 14662.6140 -0.0198 0.010 211: 11 1 11 12 12 10 0 10 11 11 14661.5900 -0.0047 0.010 212: 11 1 11 12 13 10 0 10 11 12 14662.1640 0.0081 0.010 213: 11 1 11 12 13 10 1 10 11 12 11761.6180 0.0043 0.010 214/ 11 2 9 11 12 11 1 10 12 12 11518.3400 0.0855 0.010 215: 11 2 9 12 13 10 2 8 11 12 12248.5620 -0.0112 0.010 216/ 11 2 9 12 13 11 1 10 12 13 11518.7030 -0.0438 0.010 217: 11 2 10 12 13 10 2 9 11 12 12110.2580 0.0014 0.010 218: 11 3 8 12 13 10 3 7 11 12 12154.7660 0.0055 0.010 219: 11 3 9 12 13 10 3 8 11 12 12149.2140 0.0060 0.010 220: 11 4 7 12 13 10 4 6 11 12 12143.5110 0.0101 0.010 221/ 11 4 8 12 13 10 4 7 11 12 12143.3850 -0.0339 0.010 222: 11 5 6 12 13 10 5 5 11 12 12139.8100 -0.0075 0.010 223: 11 6 5 12 13 10 6 4 11 12 12137.9200 0.0170 0.010 224: 11 7 4 12 13 10 7 3 11 12 12136.7790 0.0150 0.010 225: 11 8 4 12 13 10 8 3 11 12 12136.0380 0.0125 0.010 226: 12 0 12 13 14 11 0 11 12 13 13058.3430 -0.0035 0.010 227: 12 0 12 13 14 11 1 11 12 13 10390.3850 -0.0120 0.010 228: 12 1 11 13 14 11 1 10 12 13 13554.7850 -0.0051 0.010 229: 12 1 12 13 13 11 0 11 12 12 15491.9630 -0.0191 0.010 230/ 12 1 12 13 14 11 0 11 12 13 15492.5380 0.0326 0.010 231: 12 1 12 13 14 11 1 11 12 13 12824.5610 0.0050 0.010 232: 12 2 10 13 14 11 2 9 12 13 13383.2460 -0.0075 0.010 233: 12 2 11 13 14 11 2 10 12 13 13206.1980 0.0039 0.010 234: 12 3 9 13 14 11 3 8 12 13 13264.8190 0.0044 0.010 235: 12 3 10 13 14 11 3 9 12 13 13256.2010 0.0017 0.010 236: 12 4 8 13 14 11 4 7 12 13 13249.5110 0.0194 0.010 237: 12 4 9 13 14 11 4 8 12 13 13249.3450 0.0067 0.010 238: 12 5 7 13 14 11 5 6 12 13 13244.6770 -0.0102 0.010 239: 12 6 6 13 14 11 6 5 12 13 13242.1950 -0.0107 0.010 240: 12 7 5 13 14 11 7 4 12 13 13240.7420 0.0093 0.010 241: 12 8 4 13 14 11 8 3 12 13 13239.7820 0.0013 0.010 242: 13 0 13 14 15 12 0 12 13 14 14117.1550 -0.0004 0.010 243: 13 1 12 14 15 12 1 11 13 14 14673.6390 -0.0032 0.010 244: 13 1 13 13 14 12 0 12 12 13 16320.7000 0.0241 0.010 245: 13 1 13 14 14 12 0 12 13 13 16319.7880 0.0082 0.010 246: 13 1 13 14 15 12 1 12 13 14 13886.1060 0.0020 0.010 247: 13 2 11 14 15 12 2 10 13 14 14521.9160 -0.0085 0.010 248: 13 2 12 14 15 12 2 11 13 14 14300.8450 0.0041 0.010 249: 13 3 10 14 15 12 3 9 13 14 14376.4800 0.0016 0.010 250: 13 3 11 14 15 12 3 10 13 14 14363.6010 0.0031 0.010 251: 13 4 9 14 15 12 4 8 13 14 14356.0310 0.0026 0.010 252: 13 4 10 14 15 12 4 9 13 14 14355.7600 0.0041 0.010 253: 13 5 8 14 15 12 5 7 13 14 14349.8800 -0.0015 0.010 254: 13 6 7 14 15 12 6 6 13 14 14346.7120 -0.0171 0.010 255: 13 7 6 14 15 12 7 5 13 14 14344.8680 0.0073 0.010 256: 13 8 5 14 15 12 8 4 13 14 14343.6670 0.0115 0.010 257: 13 9 4 14 15 12 9 3 13 14 14342.8160 -0.0122 0.010 258: 14 0 14 15 14 13 0 13 14 13 15170.9380 -0.0024 0.010 259: 14 1 13 15 15 13 1 12 14 14 15789.5620 0.0193 0.010 260: 14 1 14 15 15 13 1 13 14 14 14946.2440 0.0251 0.010 261: 14 2 12 14 15 13 2 11 13 14 15664.1510 0.0283 0.010 262: 14 2 13 15 15 13 2 12 14 14 15394.1010 0.0157 0.010 263: 14 3 11 15 15 13 3 10 14 14 15490.0040 -0.0121 0.010 264: 14 3 12 15 15 13 3 11 14 14 15471.3500 0.0013 0.010 265: 14 4 10 15 15 13 4 9 14 14 15463.1790 0.0022 0.010 266: 14 4 11 15 15 13 4 10 14 14 15462.7150 0.0012 0.010 267: 14 5 9 15 15 13 5 8 14 14 15455.4320 0.0004 0.010 268: 14 6 8 15 16 13 6 7 14 15 15451.4900 -0.0019 0.010 269: 14 7 7 15 16 13 7 6 14 15 15449.1480 -0.0138 0.010 270: 14 8 6 15 16 13 8 5 14 15 15447.6720 0.0110 0.010 271: 14 9 5 15 16 13 9 4 14 15 15446.6550 0.0222 0.010 272: 15 0 15 16 15 14 0 14 15 14 16220.1640 -0.0018 0.010 273: 15 1 14 16 15 14 1 13 15 14 16902.2010 -0.0094 0.010 274: 15 1 15 16 15 14 1 14 15 14 16004.9580 0.0127 0.010 275/ 15 1 15 16 17 14 0 14 15 16 17983.3960 0.0443 0.010 276: 15 2 13 16 15 14 2 12 15 14 16809.3390 -0.0148 0.010 277: 15 2 14 16 15 14 2 13 15 14 16485.8720 0.0032 0.010 278: 15 3 12 16 15 14 3 11 15 14 16605.6510 -0.0025 0.010 279: 15 3 13 16 15 14 3 12 15 14 16579.3630 0.0036 0.010 280: 15 4 11 16 15 14 4 10 15 14 16570.9820 0.0017 0.010 281: 15 4 12 16 15 14 4 11 15 14 16570.2310 0.0065 0.010 282: 15 5 10 16 15 14 5 9 15 14 16561.3580 0.0020 0.010 283: 15 6 9 16 17 14 6 8 15 16 16556.5190 0.0057 0.010 284: 15 7 8 16 17 14 7 7 15 16 16553.6420 -0.0080 0.010 285: 15 8 7 16 17 14 8 6 15 16 16551.7940 -0.0137 0.010 286: 15 9 7 16 17 14 9 6 15 16 16550.5570 0.0095 0.010 287/ 16 0 16 16 15 15 0 15 15 14 17265.4350 -0.0417 0.010 288/ 16 1 15 16 15 15 1 14 15 14 18011.1790 -0.0407 0.010 289: 16 1 16 16 15 15 1 15 15 14 17062.2650 -0.0005 0.010 290: 16 2 14 16 15 15 2 13 15 14 17956.7770 0.0181 0.010 291: 16 2 15 16 15 15 2 14 15 14 17576.0640 -0.0144 0.010 292: 16 3 13 16 15 15 3 12 15 14 17723.7220 0.0070 0.010 293: 16 3 14 16 15 15 3 13 15 14 17687.5510 -0.0016 0.010 294: 16 4 12 16 15 15 4 11 15 14 17679.5260 -0.0044 0.010 295: 16 4 13 16 15 15 4 12 15 14 17678.3280 -0.0086 0.010 296: 16 5 11 16 15 15 5 10 15 14 17667.6880 -0.0199 0.010 297: 16 7 9 17 18 15 7 8 16 17 17658.3330 -0.0060 0.010 298: 16 8 8 17 18 15 8 7 16 17 17656.0940 -0.0123 0.010 299: 16 9 7 17 18 15 9 6 16 17 17654.5680 -0.0125 0.010 300: 16 10 6 17 18 15 10 5 16 17 17653.4910 0.0036 0.010 301: 17 0 17 16 15 16 0 16 15 14 18307.3970 0.0040 0.010 302: 17 1 17 16 15 16 1 16 15 14 18118.1900 0.0199 0.010 303: 18 0 18 19 20 17 1 17 18 19 17975.9700 -0.0010 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A / /MHz 4899.57068(31) 1 20000 B / /MHz 582.26972(10) 2 30000 C / /MHz 520.698768(86) 3 1100 DJK / /kHz 0.0297(14) 4 200 DJ / /kHz 0.00882(23) 5 110010000 (1 N-14) /MHz 1.973(14) 6 110040000 (1 N-14) /MHz 0.9266(27) 7 110610000 (1 N-14) /MHz [ 0.030609278] 8 220010000 (3 N-14) /MHz [-0.020637364] 9 220040000 (3 N-14) /MHz -1.0686(27) 10 220610000 (3 N-14) /MHz [-2.9062666] 11 MICROWAVE AVG = -0.000306 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.016635 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.66353 1.66353 distinct frequency lines in fit: 303 distinct parameters of fit: 8 MICROWAVE lines fitted lines lines RMS RMS ERROR J range Ka range freq. range total dv=0 dv.ne.0 UNFITTD e>900 v"= 0 2 0 2 0 0 0.010169 1.01688 1 2 1 2 15218 15283 v"= 1 8 1 7 0 0 0.011281 1.12809 1 3 0 2 7472 16450 v"= 2 18 3 15 0 0 0.011273 1.12729 1 4 0 3 2205 17652 v"= 3 29 7 22 0 0 0.012254 1.22541 2 5 0 3 3306 18250 v"= 4 29 12 17 0 0 0.016010 1.60104 3 6 0 3 4405 18252 v"= 5 26 13 13 0 0 0.016846 1.68462 4 6 0 3 5358 18251 v"= 6 20 10 10 0 0 0.017879 1.78794 5 8 0 4 6428 13914 v"= 7 18 7 11 0 0 0.013108 1.31075 6 8 0 6 7497 13913 v"= 8 21 7 14 0 0 0.015552 1.55518 7 9 0 6 8565 14164 v"= 9 18 4 14 0 0 0.018101 1.81006 8 10 0 6 9632 14447 v"=10 16 3 13 0 0 0.018450 1.84497 9 11 0 6 10697 14763 v"=11 18 3 15 0 0 0.024397 2.43973 10 11 0 8 11703 14764 v"=12 19 1 18 0 0 0.025408 2.54082 11 13 0 8 10390 16321 v"=13 16 0 16 0 0 0.010113 1.01130 12 14 0 9 13886 16320 v"=14 13 0 13 0 0 0.013060 1.30596 13 14 0 9 14946 15790 v"=15 27 0 27 0 0 0.016965 1.69650 14 17 0 9 16005 18307 v"=16 4 0 4 0 0 0.009441 0.94406 15 16 7 10 17653 17658 v"=18 1 0 1 0 0 0.001000 0.10000 17 18 0 1 17976 17976 -------------------------------------------------------------------------------------------- total: 303 71 232 0 0 0.016606 1.66055 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A / /MHz 4899.57069(52) 1 20000 B / /MHz 582.26973(17) 2 30000 C / /MHz 520.69877(14) 3 1100 DJK / /kHz 0.0298(24) 4 200 DJ / /kHz 0.00882(39) 5 110010000 (1 N-14) /MHz 1.974(24) 6 110040000 (1 N-14) /MHz 0.9267(46) 7 110610000 (1 N-14) /MHz [ 0.030609278] 8 220010000 (3 N-14) /MHz [-0.020637364] 9 220040000 (3 N-14) /MHz -1.0687(46) 10 220610000 (3 N-14) /MHz [-2.9062666] 11 CORRELATION COEFFICIENTS, C.ij: A / B / C / -DJK / -DJ / (1 N-14) (1 N-14) (3 N-14) A / 1.0000 B / 0.0074 1.0000 C / -0.0173 0.7497 1.0000 -DJK / -0.1405 -0.1581 -0.0751 1.0000 -DJ / 0.0376 -0.7938 -0.8429 -0.1867 1.0000 (1 N-14) 0.0330 0.0462 0.0158 0.0232 -0.0198 1.0000 (1 N-14) -0.0727 0.0260 -0.0236 0.0014 -0.0017 -0.0422 1.0000 (3 N-14) -0.0930 0.0328 0.0061 -0.0038 -0.0173 0.0478 0.4561 1.0000 Mean value of |C.ij|, i.ne.j = 0.1418 Mean value of C.ij, i.ne.j = -0.0359 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 214: 8.6 199: -6.6 95: -5.3 181: 4.8 87: 4.7 197: -4.7 275: 4.4 216: -4.4 202: 4.3 287: -4.2 163: 4.1 288: -4.1 85: -3.9 108: -3.6 70: 3.6 93: -3.5 138: -3.5 221: -3.4 205: -3.3 230: 3.3 194: 3.2 175: 3.1 86: -3.1 42: 3.1 116: -3.0 47: -3.0 142: 2.9 176: 2.9 29: -2.9 180: -2.9 261: 2.8 52: -2.8 40: 2.7 161: 2.7 162: -2.6 48: 2.5 260: 2.5 177: -2.5 21: 2.5 41: 2.4 244: 2.4 130: -2.4 137: 2.3 24: -2.3 39: 2.2 271: 2.2 192: 2.1 25: -2.1 296: -2.0 302: 2.0 214/ 11 2 9 11 12 11 1 10 12 12 11518.3400 0.0855 0.010 199/ 10 2 8 11 12 10 1 9 11 12 11703.4480 -0.0660 0.010 95/ 5 2 3 6 7 5 1 4 6 7 12608.0180 -0.0530 0.010 181/ 9 2 8 10 10 9 1 9 10 10 14449.0420 0.0483 0.010 87/ 5 1 5 6 7 4 0 4 5 6 9406.5070 0.0473 0.010 197/ 10 2 8 11 11 10 1 9 11 11 11703.0300 -0.0467 0.010 275/ 15 1 15 16 17 14 0 14 15 16 17983.3960 0.0443 0.010 216/ 11 2 9 12 13 11 1 10 12 13 11518.7030 -0.0438 0.010 202/ 10 2 9 11 12 10 1 10 11 12 14764.0720 0.0435 0.010 287/ 16 0 16 16 15 15 0 15 15 14 17265.4350 -0.0417 0.010 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM