Pyruvic acid: v_23=1 E (10) Tue Nov 07 17:49:38 2006 -------------------------------------------------------------------------------------========= obs o-c error blends Notes o-c wt -------------------------------------------------------------------------------------========= ! ! 1: 3 0 3 2 0 2 15649.7900 -0.514 UNFITTD 15650.3042 2: 4 0 4 3 0 3 19940.1600 -2.709 UNFITTD 19942.8693 3: 5 0 5 4 0 4 24249.3100 -0.0029 0.100 4: 6 0 6 5 0 5 28613.0300 -0.0090 0.100 5: 7 0 7 6 0 6 33004.7600 0.0134 0.100 6: 36 0 36 35 0 35 160778.9258 -0.0336 0.050 7: 38 0 38 37 0 37 169588.7870 0.0225 0.050 8: 39 0 39 38 0 38 173993.4809 0.0079 0.050 9: 43 0 43 42 0 42 191610.9189 -0.0141 0.050 10: 44 0 44 43 0 43 196014.9701 0.0325 0.050 11: 45 0 45 44 0 44 200418.7965 0.0054 0.050 12: 46 0 46 45 0 45 204822.5591 0.0690 0.050 13: 47 0 47 46 0 46 209226.0416 0.0103 0.050 14: 48 0 48 47 0 47 213629.3250 -0.0862 0.050 15: 49 0 49 48 0 48 218032.6283 0.0018 0.050 16: 51 0 51 50 0 50 226838.5089 -0.0406 0.050 17: 52 0 52 51 0 51 231241.2027 -0.0478 0.050 18/ 64 0 64 63 0 63 284058.9705 0.1794 0.050 19: 65 0 65 64 0 64 288458.8983 -0.0123 0.050 20: 70 0 70 69 0 69 310455.9908 -0.1157 0.050 ! 21: 4 1 4 3 1 3 19637.1500 0.506 UNFITTD 19636.6434 22: 5 1 5 4 1 4 24136.2700 0.2050 0.100 23: 6 1 6 5 1 5 28576.7700 0.0871 0.100 24: 7 1 7 6 1 6 32994.0200 0.0438 0.100 25: 35 1 34 34 1 33 160657.3141 0.0342 0.050 26: 37 1 36 36 1 35 169466.8146 0.0203 0.050 27: 38 1 37 37 1 36 173871.3256 -0.0358 0.050 28: 42 1 41 41 1 40 191488.3178 0.0451 0.050 29: 43 1 42 42 1 41 195892.1418 -0.0003 0.050 30: 44 1 43 43 1 42 200295.8674 0.0063 0.050 31: 45 1 44 44 1 43 204699.4495 0.0238 0.050 32: 46 1 45 45 1 44 209102.8446 0.0121 0.050 33: 47 1 46 46 1 45 213506.0845 0.0068 0.050 34: 48 1 47 47 1 46 217909.1722 0.0143 0.050 35: 50 1 49 49 1 48 226714.7148 -0.0941 0.050 36: 51 1 50 50 1 49 231117.3406 -0.0322 0.050 37: 52 1 51 51 1 50 235519.7731 0.0155 0.050 38: 53 1 53 52 1 52 235643.7659 -0.0074 0.050 39: 63 1 62 62 1 61 283936.3116 3.136 UNFITTD 283933.1753 40: 69 1 68 68 1 67 310329.5404 0.0031 0.050 ! 41: 6 2 5 5 2 4 32601.9500 -0.0657 0.050 42: 34 2 32 33 2 31 160537.4794 0.0253 0.050 43: 36 2 34 35 2 33 169346.3383 0.0331 0.050 44: 37 2 35 36 2 34 173750.5829 0.0154 0.050 45: 41 2 39 40 2 38 191366.4065 0.0183 0.050 46: 42 2 40 41 2 39 195769.9868 -0.0229 0.050 47: 43 2 41 42 2 40 200173.4118 -0.0761 0.050 48: 44 2 42 43 2 41 204576.8349 0.0165 0.050 49: 45 2 43 44 2 42 208980.0269 0.0303 0.050 50: 46 2 44 45 2 43 213383.0046 -0.0135 0.050 51: 47 2 45 46 2 44 217785.8699 -0.0090 0.050 52: 49 2 47 48 2 46 226591.1099 0.0081 0.050 53: 50 2 48 49 2 47 230993.5159 0.0601 0.050 54: 51 2 49 50 2 48 235395.5455 -0.0874 0.050 55: 62 2 60 61 2 59 283807.1513 0.316 UNFITTD 283806.8343 56: 68 2 66 67 2 65 310202.3541 0.374 UNFITTD 310201.9795 ! 57: 33 3 30 32 3 29 160422.7122 0.0112 0.050 58: 35 3 32 34 3 31 169230.1103 0.0657 0.050 59: 36 3 33 35 3 32 173633.6436 0.0017 0.050 60: 40 3 37 39 3 36 191247.2433 0.0120 0.050 61: 41 3 38 40 3 37 195650.3885 0.0113 0.050 62: 42 3 39 41 3 38 200053.3963 -0.0086 0.050 63: 43 3 40 42 3 39 204456.6076 0.300 UNFITTD 204456.3071 64: 44 3 41 43 3 40 208858.8159 -0.260 UNFITTD 208859.0768 65: 45 3 42 44 3 41 213261.7037 -0.0037 0.050 66: 46 3 43 45 3 42 217664.1868 -0.0061 0.050 67: 49 3 46 48 3 45 230870.6833 -0.0377 0.050 68: 50 3 47 49 3 46 235272.5659 -0.0040 0.050 69: 51 3 48 50 3 47 239674.2777 0.0307 0.050 70: 61 3 58 60 3 57 283680.7040 0.1317 0.050 71: 67 3 64 66 3 63 0.0000 ******* UNFITTD 310074.1299 ! 72: 32 4 28 31 4 27 160318.4010 -0.0040 0.050 73: 34 4 30 33 4 29 169122.4455 -0.0063 0.050 74: 35 4 31 34 4 30 173524.6625 0.0211 0.050 75: 39 4 35 38 4 34 191133.7801 0.0450 0.050 76: 40 4 36 39 4 35 195535.9740 0.0032 0.050 77: 41 4 37 40 4 36 199938.1249 -0.0282 0.050 78: 42 4 38 41 4 37 204340.2675 0.0005 0.050 79: 44 4 40 43 4 39 213144.2962 0.0603 0.050 80: 45 4 41 44 4 40 217545.9203 -0.1472 0.050 81: 48 4 44 47 4 43 230750.7951 -0.0362 0.050 82: 49 4 45 48 4 44 235152.1137 -0.0330 0.050 83: 50 4 46 49 4 45 239553.2499 -0.0629 0.050 84: 60 4 56 59 4 55 283555.4175 0.0374 0.050 85: 61 4 57 60 4 56 287954.6127 0.1059 0.050 86: 66 4 62 65 4 61 309947.8915 1.079 UNFITTD 309946.8125 ! 87: 31 5 26 30 5 25 160233.9394 0.0118 0.050 88: 34 5 29 33 5 28 173430.2349 0.0044 0.050 89: 39 5 34 38 5 33 195430.9335 -0.0134 0.050 90: 40 5 35 39 5 34 199831.6186 0.0611 0.050 91: 41 5 36 40 5 35 204232.2127 -0.0163 0.050 92: 42 5 37 41 5 36 208632.9094 -0.0225 0.050 93: 43 5 38 42 5 37 213033.6175 -0.0225 0.050 94: 44 5 39 43 5 38 217434.2897 -0.0408 0.050 95: 46 5 41 45 5 40 226235.3590 -0.220 UNFITTD 226235.5799 96: 47 5 42 46 5 41 230636.0742 -0.0303 0.050 97: 48 5 43 47 5 42 235036.6212 0.0787 0.050 98: 49 5 44 48 5 43 239436.7524 -0.1281 0.050 99: 59 5 54 58 5 53 283432.4889 -0.0196 0.050 100: 60 5 55 59 5 54 287831.0807 -0.0351 0.050 101: 65 5 60 64 5 59 309822.0993 1.073 UNFITTD 309821.0259 ! 102: 30 6 24 29 6 23 160186.4656 0.0483 0.050 103: 32 6 26 31 6 25 168968.5342 0.0289 0.050 104: 37 6 31 36 6 30 190944.5507 0.0025 0.050 105: 38 6 32 37 6 31 195341.8497 0.0144 0.050 106: 39 6 33 38 6 32 199739.5228 -0.0197 0.050 107: 40 6 34 39 6 33 204137.5947 0.0042 0.050 108: 41 6 35 40 6 34 208535.9022 -0.0090 0.050 109: 42 6 36 41 6 35 212934.4157 -0.0317 0.050 110: 43 6 37 42 6 36 217333.0849 -0.0645 0.050 111: 45 6 39 44 6 38 226130.8626 -0.0227 0.050 112: 46 6 40 45 6 39 230529.8696 0.0203 0.050 113: 47 6 41 46 6 40 234928.3935 -0.443 UNFITTD 234928.8373 114: 48 6 42 47 6 41 239327.9188 0.0945 0.050 115: 58 6 52 57 6 51 283313.5487 -0.0236 0.050 116: 59 6 53 58 6 52 287711.3494 -0.0845 0.050 117: 64 6 58 63 6 57 309698.3682 0.360 UNFITTD 309698.0077 ! 118: 31 7 24 30 7 23 168959.2188 0.0196 0.050 0.0397 0.50 119: 31 8 24 30 8 23 168959.2188 0.0596 0.050 0.0397 0.50 120: 32 7 25 31 7 24 173339.9958 0.0140 0.050 0.0204 0.50 121: 32 8 25 31 8 24 173339.9958 0.0267 0.050 0.0204 0.50 122: 36 7 29 35 7 28 190888.0727 0.0065 0.050 123: 37 7 30 36 7 29 195279.3502 0.0777 0.050 124: 38 7 31 37 7 30 199671.5279 -0.0745 0.050 125: 39 7 32 38 7 31 204064.9047 0.0370 0.050 126: 40 7 33 39 7 32 208458.8689 -0.0430 0.050 127: 41 7 34 40 7 33 212853.5843 -0.0206 0.050 128: 42 7 35 41 7 34 217248.8455 0.0084 0.050 129: 44 7 37 43 7 36 226040.6199 0.0591 0.050 130: 45 7 38 44 7 37 230436.9227 0.0177 0.050 131: 46 7 39 45 7 38 234833.4508 -0.0384 0.050 132: 47 7 40 46 7 39 239230.3289 0.0663 0.050 133: 58 7 51 57 7 50 287597.9054 0.431 UNFITTD 287597.4734 134: 63 7 56 62 7 55 309579.4119 0.0893 0.050 ! 135: 28 8 20 27 8 19 160387.6143 0.0515 0.050 136: 30 8 22 29 8 21 169052.9156 0.0357 0.050 137: 31 8 23 30 8 22 173405.4104 0.0359 0.050 138: 35 8 27 34 8 26 190881.9056 -0.0006 0.050 139: 36 8 28 35 8 27 195261.3795 -0.0438 0.050 140: 37 8 29 36 8 28 199643.6052 -0.0204 0.050 141: 38 8 30 37 8 29 204028.0453 -0.0050 0.050 142: 39 8 31 38 8 30 208414.3336 0.0080 0.050 143: 40 8 32 39 8 31 212802.1592 0.0100 0.050 144: 41 8 33 40 8 32 217191.2236 -0.0491 0.050 145: 43 8 35 42 8 34 225972.5942 -0.0370 0.050 146/ 44 8 36 43 8 35 230364.3901 -0.1595 0.050 147: 45 8 37 44 8 36 234757.2093 0.0861 0.050 148: 46 8 38 45 8 37 239150.2157 -0.0315 0.050 149: 56 8 48 55 8 47 283096.8075 0.0659 0.050 150: 62 8 54 61 8 53 309466.9535 -0.0337 0.050 ! 151: 29 9 20 28 9 19 169395.2581 0.0656 0.050 152: 30 9 21 29 9 20 173659.2362 0.0107 0.050 153: 31 9 23 30 9 22 173404.7044 0.0127 0.050 154: 34 9 25 33 9 24 190965.5835 0.0175 0.050 155: 35 9 26 34 9 25 195321.4192 -0.0570 0.050 0.0109 0.50 156: 35 10 26 34 10 25 195321.4192 0.0789 0.050 0.0109 0.50 157: 37 9 28 36 9 27 204051.3888 0.0036 0.050 0.0110 0.50 158: 37 10 28 36 10 27 204051.3888 0.0183 0.050 0.0110 0.50 159: 38 9 29 37 9 28 208423.1597 0.0019 0.050 160: 39 9 30 38 9 29 212798.4470 0.0326 0.050 161: 40 9 31 39 9 30 217176.5406 -0.0265 0.050 162: 42 9 33 41 9 32 225939.7288 -0.0299 0.050 163: 43 9 34 42 9 33 230324.1405 0.0435 0.050 164: 44 9 35 43 9 34 234709.9600 0.0641 0.050 165: 45 9 36 44 9 35 239096.9102 -0.0259 0.050 166: 55 9 46 54 9 45 283005.4917 -0.1274 0.050 167: 56 9 47 55 9 46 287398.3695 -0.0474 0.050 168: 61 9 52 60 9 51 309363.9926 0.343 UNFITTD 309363.6486 ! 169: 29 10 20 28 10 19 169330.8032 -0.1027 0.050 170: 30 10 21 29 10 20 173634.5328 -0.0067 0.050 ! 171: 25 10 15 24 10 14 161050.6447 9.088 UNFITTD 161041.5566 172: 27 10 17 26 10 16 167476.7397 -0.1391 0.050 173/ 29 10 19 28 10 18 174595.4345 0.1802 0.050 174: 33 10 23 32 10 22 191228.6368 -0.0155 0.050 175: 34 10 24 33 10 23 195528.5591 -0.0997 0.050 176: 35 10 25 34 10 24 199847.7713 0.0029 0.050 177: 36 10 26 35 10 25 204180.5898 0.0495 0.050 178: 39 10 29 38 10 28 217232.4375 -0.0585 0.050 -0.0452 0.50 179: 39 11 29 38 11 28 217232.4375 -0.0319 0.050 -0.0452 0.50 180: 41 10 31 40 10 30 225962.8661 0.0058 0.050 181: 42 10 32 41 10 31 230333.8808 -0.0125 0.050 182: 44 10 34 43 10 33 239084.6239 -0.0753 0.050 183: 54 10 44 53 10 43 282932.8792 0.0663 0.050 184: 55 10 45 54 10 44 287321.9877 -0.0493 0.050 185: 60 10 50 59 10 49 309273.3001 0.455 UNFITTD 309272.8447 ! 186: 26 11 16 25 11 15 160424.6678 0.0244 0.050 187: 28 11 18 27 11 17 169682.5192 -2.178 UNFITTD 169684.6978 188: 29 11 19 28 11 18 174056.0715 -0.0912 0.050 189: 33 11 23 32 11 22 191214.2121 -0.0624 0.050 190: 34 11 24 33 11 23 195523.2932 -0.0392 0.050 191: 35 11 25 34 11 24 199845.8624 0.0174 0.050 192: 36 11 26 35 11 25 204179.8181 -0.0432 0.050 193: 43 11 33 42 11 32 234708.0865 0.0882 0.050 ! 194: 32 11 21 31 11 20 192033.3202 0.0208 0.050 195: 33 11 22 32 11 21 196105.3173 -0.0086 0.050 196: 34 11 23 33 11 22 200283.0871 -0.0213 0.050 197: 35 11 24 34 11 23 204521.4085 0.0166 0.050 198: 36 11 25 35 11 24 208796.3362 -0.0270 0.050 199: 37 11 26 36 11 25 213095.4542 0.0705 0.050 200: 38 11 27 37 11 26 217411.4466 0.0537 0.050 201: 42 11 31 41 11 30 234778.7192 0.0991 0.050 0.1069 0.50 202: 42 12 31 41 12 30 234778.7192 0.1147 0.050 0.1069 0.50 203: 53 11 42 52 11 41 0.0000 ******* UNFITTD 282886.1877 204: 54 11 43 53 11 42 0.0000 ******* UNFITTD 287269.9779 ! 205: 26 12 15 25 12 14 0.0000 ******* UNFITTD 163178.3818 206: 27 12 16 26 12 15 0.0000 ******* UNFITTD 168545.2310 207: 28 12 17 27 12 16 0.0000 ******* UNFITTD 173654.5724 208: 34 12 23 33 12 22 200226.9484 -0.1313 0.050 209: 35 12 24 34 12 23 204499.4460 -0.0475 0.050 210: 36 12 25 35 12 24 208788.0618 0.0054 0.050 211: 37 12 26 36 12 25 213092.3416 0.0276 0.050 212: 38 12 27 37 12 26 217410.2861 0.0015 0.050 213: 43 12 32 42 12 31 239136.9466 -0.225 UNFITTD 239137.1719 ! 214: 25 12 13 24 12 12 0.0000 ******* UNFITTD 160140.3118 215: 26 12 14 25 12 13 0.0000 ******* UNFITTD 169222.6733 216: 30 12 18 29 12 17 192491.3185 0.0286 0.050 217: 31 12 19 30 12 18 195396.0859 0.1012 0.050 218: 33 12 21 32 12 20 0.0000 ******* UNFITTD 201770.2067 219: 35 12 23 34 12 22 209514.4689 -0.1205 0.050 220: 37 12 25 36 12 24 217837.9411 -0.0169 0.050 221: 39 12 27 38 12 26 226361.0547 0.0531 0.050 222: 40 12 28 39 12 27 230658.3953 0.0509 0.050 223: 42 12 30 41 12 29 239295.9520 -0.0383 0.050 0.0740 0.50 224: 42 13 30 41 13 29 239295.9520 0.1864 0.050 0.0740 0.50 225: 52 12 40 51 12 39 282877.4554 0.0980 0.050 226: 53 12 41 52 12 40 287252.9836 0.232 UNFITTD 287252.7512 227: 59 12 47 58 12 46 313532.4017 -0.0047 0.050 ! 228: 26 13 14 25 13 13 0.0000 ******* UNFITTD 163661.1353 229: 31 13 19 30 13 18 0.0000 ******* UNFITTD 191765.7151 230: 32 13 20 31 13 19 196373.5822 0.0755 0.050 231: 33 13 21 32 13 20 200777.6267 -2.284 UNFITTD 200779.9114 232: 34 13 22 33 13 21 205071.6422 -1.047 UNFITTD 205072.6892 233: 35 13 23 34 13 22 209317.8916 -0.454 UNFITTD 209318.3464 234/ 36 13 24 35 13 23 213556.1804 -0.1796 0.050 235: 37 13 25 36 13 24 217805.5322 0.1195 0.050 236: 40 13 28 39 13 27 230656.6113 0.0255 0.050 237: 41 13 29 40 13 28 234970.6523 0.1260 0.050 238: 58 13 46 57 13 45 309150.0331 0.0176 0.050 ! 239: 29 13 16 28 13 15 0.0000 ******* UNFITTD 190325.9030 240: 30 13 17 29 13 16 0.0000 ******* UNFITTD 197315.3716 241: 31 13 18 30 13 17 0.0000 ******* UNFITTD 202703.8727 242: 33 13 20 32 13 19 0.0000 ******* UNFITTD 209474.4072 243: 38 13 25 37 13 24 227022.6643 -0.1245 0.050 244: 39 13 26 38 13 25 231179.1858 -0.0311 0.050 245: 40 13 27 39 13 26 235393.5848 -0.0222 0.050 246/ 41 13 28 40 13 27 239645.0866 0.1597 0.050 247: 51 13 38 50 13 37 282923.6823 -0.414 UNFITTD 282924.0963 248: 52 13 39 51 13 38 287286.6417 0.416 UNFITTD 287286.2255 249: 57 13 44 56 13 43 0.0000 ******* UNFITTD 309134.2749 250: 58 13 45 57 13 44 0.0000 ******* UNFITTD 313509.3118 ! 251: 26 14 13 25 14 12 0.0000 ******* UNFITTD 161766.8144 252: 27 14 14 26 14 13 0.0000 ******* UNFITTD 169003.2939 253: 31 14 18 30 14 17 0.0000 ******* UNFITTD 194810.4766 254: 32 14 19 31 14 18 0.0000 ******* UNFITTD 200086.4205 255: 33 14 20 32 14 19 0.0000 ******* UNFITTD 205058.1055 256: 34 14 21 33 14 20 0.0000 ******* UNFITTD 209725.8591 257: 35 14 22 34 14 21 0.0000 ******* UNFITTD 214162.0083 258: 36 14 23 35 14 22 0.0000 ******* UNFITTD 218458.4160 259/ 38 14 25 37 14 24 226906.8169 -0.1832 0.050 260: 39 14 26 38 14 25 231131.8792 0.0130 0.050 261: 40 14 27 39 14 26 235374.8459 0.0027 0.050 262: 41 14 28 40 14 27 239637.8270 0.1347 0.050 ! 263: 26 14 12 25 14 11 0.0000 ******* UNFITTD 161344.2293 264: 27 14 13 26 14 12 0.0000 ******* UNFITTD 168598.6493 265: 30 14 16 29 14 15 0.0000 ******* UNFITTD 194303.0737 266: 31 14 17 30 14 16 0.0000 ******* UNFITTD 203234.4905 267: 36 14 22 35 14 21 0.0000 ******* UNFITTD 226263.7463 268: 37 14 23 36 14 22 0.0000 ******* UNFITTD 229242.9370 269: 38 14 24 37 14 23 0.0000 ******* UNFITTD 232679.2491 270: 39 14 25 38 14 24 0.0000 ******* UNFITTD 236455.5243 271: 40 14 26 39 14 25 240440.1611 -0.0483 0.050 272: 50 14 36 49 14 35 283054.7809 -0.1368 0.050 -0.1325 0.50 273: 50 15 36 49 15 35 283054.7809 -0.1281 0.050 -0.1325 0.50 274: 51 14 37 50 14 36 0.0000 ******* UNFITTD 287395.4099 275: 56 14 42 55 14 41 0.0000 ******* UNFITTD 309166.2453 276: 57 14 43 56 14 42 313529.7488 -0.420 UNFITTD 313530.1690 -------------------------------------------------------------------------------------========= 35 Lines rejected from fit CONSTANTS IN FIT: 10000 A /MHz 5547.829(19) 1 20000 B /MHz 3577.3551(77) 2 30000 C /MHz 2203.64740(34) 3 200 DJ /kHz 0.8343(63) 4 1100 DJK /kHz -0.882(78) 5 2000 DK /kHz 7.71(22) 6 40100 dJ /kHz 0.3473(31) 7 41000 dK /kHz 0.936(40) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz 1.655(23) 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz 0.0352(21) 15 200000 Da /MHz 511.49(54) 16 200100 DaJ /MHz -0.10944(89) 17 201000 DaK /MHz [ 0.] 18 400000 Db /MHz 383.31(73) 19 400100 DbJ /MHz -0.03571(99) 20 401000 DbK /MHz [ 0.] 21 MICROWAVE AVG = 0.001517 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.061945 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 1.20820 1.20820 distinct frequency lines in fit: 207 distinct constants in fit: 14 for standard errors previous errors are multiplied by: 1.251254 CONSTANTS IN FIT WITH STANDARD ERRORS ON FITTED CONSTANTS: 10000 A /MHz 5547.829(23) 1 20000 B /MHz 3577.3551(96) 2 30000 C /MHz 2203.64740(42) 3 200 DJ /kHz 0.8343(78) 4 1100 DJK /kHz -0.882(97) 5 2000 DK /kHz 7.71(27) 6 40100 dJ /kHz 0.3473(39) 7 41000 dK /kHz 0.936(50) 8 300 HJ /Hz [ 0.] 9 1200 HJK /Hz [ 0.] 10 2100 HKJ /Hz [ 0.] 11 3000 HK /Hz 1.655(28) 12 40200 hJ /Hz [ 0.] 13 41100 hJK /Hz [ 0.] 14 42000 hK /Hz 0.0352(27) 15 200000 Da /MHz 511.49(67) 16 200100 DaJ /MHz -0.1094(11) 17 201000 DaK /MHz [ 0.] 18 400000 Db /MHz 383.31(91) 19 400100 DbJ /MHz -0.0357(12) 20 401000 DbK /MHz [ 0.] 21 CORRELATION COEFFICIENTS, C.ij: A B C -DJ -DJK -DK -dJ -dK A 1.0000 B -0.8652 1.0000 C 0.3611 -0.5568 1.0000 -DJ 0.7454 -0.8566 0.4681 1.0000 -DJK -0.4065 0.3603 0.0137 -0.1837 1.0000 -DK -0.0693 0.1238 -0.2379 -0.3682 -0.8400 1.0000 -dJ 0.7461 -0.8583 0.4732 1.0000 -0.1838 -0.3680 1.0000 -dK -0.0590 -0.0358 0.2385 0.2753 0.8940 -0.9880 0.2752 1.0000 HK 0.2942 0.0498 -0.4340 -0.0545 -0.1966 0.1211 -0.0560 -0.2327 hK -0.0003 -0.0242 -0.4630 0.0208 -0.1903 0.1445 0.0193 -0.2025 Da -0.1569 -0.0635 -0.1573 0.2699 0.0105 -0.1193 0.2675 0.1289 DaJ -0.0326 0.2123 0.0889 -0.4601 0.1113 0.1148 -0.4574 -0.0980 Db -0.8668 0.7148 -0.4157 -0.5392 0.5222 -0.1637 -0.5407 0.2612 DbJ 0.8239 -0.7182 0.4011 0.6597 -0.6273 0.2078 0.6606 -0.3096 HK hK Da DaJ Db DbJ HK 1.0000 hK 0.6259 0.0000 Da -0.1410 0.2057 0.0000 DaJ 0.1055 -0.1820 -0.9492 0.0000 Db -0.1584 0.1330 0.3262 -0.1269 0.0000 DbJ 0.1402 -0.0526 -0.1693 -0.0478 -0.9398 0.0000 Mean value of |C.ij|, i.ne.j = 0.3389 Mean value of C.ij, i.ne.j = -0.0397 Worst fitting lines (obs-calc/error): 259: -3.7 173: 3.6 234: -3.6 18: 3.6 246: 3.2 146: -3.2 80: -2.9 172: -2.8 262: 2.7 272: -2.6 70: 2.6 208: -2.6 98: -2.6 166: -2.5 237: 2.5 243: -2.5 219: -2.4 235: 2.4 20: -2.3 201: 2.1 85: 2.1 169: -2.1 22: 2.0 217: 2.0 175: -2.0 225: 2.0 114: 1.9 35: -1.9 188: -1.8 134: 1.8 193: 1.8 54: -1.7 14: -1.7 147: 1.7 116: -1.7 97: 1.6 123: 1.6 47: -1.5 230: 1.5 182: -1.5 124: -1.5 223: 1.5 199: 1.4 12: 1.4 183: 1.3 132: 1.3 149: 1.3 58: 1.3 41: -1.3 151: 1.3 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM