Urocanic Acid (conformer I = conformer A) Thu Jan 24 19:57:37 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 2186.5130 -0.0083 0.010 2: 2 1 1 3 3 1 1 0 2 2 2247.4750 0.0156 0.010 3: 2 1 1 3 4 1 1 0 2 3 2247.3910 0.0118 0.010 4: 2 1 2 3 4 1 1 1 2 3 2126.8300 0.0137 0.010 5: 3 0 3 4 5 2 0 2 3 4 3278.2500 0.0019 0.010 6: 3 1 2 4 3 2 1 1 3 2 3370.9660 -0.0033 0.010 7: 3 1 2 4 5 2 1 1 3 4 3370.7720 0.0102 0.010 8: 3 1 3 3 4 2 1 2 2 3 3190.0600 -0.0084 0.010 9: 3 1 3 4 5 2 1 2 3 4 3189.9040 -0.0014 0.010 10: 3 2 1 3 4 2 2 0 2 3 3283.5620 -0.0043 0.010 11: 3 2 1 4 5 2 2 0 3 4 3283.1620 0.0015 0.010 12: 3 2 2 2 3 2 2 1 1 2 3280.3960 -0.0300 0.010 13: 3 2 2 3 4 2 2 1 2 3 3281.1010 0.0119 0.010 14: 3 2 2 4 5 2 2 1 3 4 3280.6710 0.0022 0.010 15: 4 0 4 5 6 3 0 3 4 5 4368.1230 0.0215 0.010 16: 4 1 3 5 6 3 1 2 4 5 4493.6380 0.0042 0.010 17: 4 2 2 4 5 3 2 1 3 4 4380.2110 0.0109 0.010 18: 4 2 2 5 6 3 2 1 4 5 4380.0570 0.0205 0.010 19: 4 2 3 4 5 3 2 2 3 4 4373.9990 0.0077 0.010 20: 4 2 3 5 6 3 2 2 4 5 4373.8130 0.0033 0.010 21: 4 3 1 4 5 3 3 0 3 4 4375.8940 -0.0004 0.010 22: 4 3 1 5 6 3 3 0 4 5 4375.4960 -0.0127 0.010 23: 4 3 2 3 4 3 3 1 2 3 4375.3480 0.0183 0.010 24: 5 0 5 6 7 4 0 4 5 6 5455.5000 0.0285 0.010 25: 5 1 4 6 7 4 1 3 5 6 5615.8720 0.0107 0.010 26: 5 1 5 6 7 4 1 4 5 6 5314.5160 0.0113 0.010 27: 5 2 3 6 7 4 2 2 5 6 5478.9640 0.0130 0.010 28: 5 2 4 5 6 4 2 3 4 5 5466.5980 -0.0086 0.010 29: 5 2 4 6 7 4 2 3 5 6 5466.5140 0.0050 0.010 30/ 5 3 2 5 6 4 3 1 4 5 5470.2860 0.0332 0.010 31: 5 3 2 6 7 4 3 1 5 6 5470.0770 0.0227 0.010 32: 5 3 3 5 6 4 3 2 4 5 5470.1830 0.0144 0.010 33: 5 3 3 6 7 4 3 2 5 6 5469.9740 0.0042 0.010 34/ 5 4 1 4 5 4 4 0 3 4 5469.1490 0.0370 0.010 35: 5 4 1 5 6 4 4 0 4 5 5469.5800 0.0090 0.010 36: 5 4 1 6 7 4 4 0 5 6 5469.2180 -0.0018 0.010 37: 6 0 6 7 8 5 0 5 6 7 6539.7680 0.0076 0.010 38: 6 1 5 7 8 5 1 4 6 7 6737.2630 0.0017 0.010 39: 6 1 6 7 8 5 1 5 6 7 6375.7500 -0.0058 0.010 40: 6 2 4 7 8 5 2 3 6 7 6580.3990 -0.0201 0.010 41: 6 2 5 7 8 5 2 4 6 7 6558.6680 -0.0133 0.010 42: 6 3 3 6 7 5 3 2 5 6 6565.1030 -0.0218 0.010 43: 6 3 3 7 8 5 3 2 6 7 6565.0000 -0.0104 0.010 44: 6 3 4 6 7 5 3 3 5 6 6564.9020 0.0019 0.010 45: 6 3 4 7 8 5 3 3 6 7 6564.7760 -0.0090 0.010 46: 7 0 7 8 9 6 0 6 7 8 7620.4040 0.0054 0.010 47: 7 1 6 8 9 6 1 5 7 8 7857.6580 0.0054 0.010 48: 7 1 7 8 9 6 1 6 7 8 7436.1270 -0.0121 0.010 49: 7 2 5 8 9 6 2 4 7 8 7684.9000 -0.0032 0.010 50: 7 2 6 8 9 6 2 5 7 8 7650.2110 -0.0139 0.010 51: 7 3 4 8 9 6 3 3 7 8 7660.4960 0.0000 0.010 52: 7 3 5 8 9 6 3 4 7 8 7659.9880 -0.0011 0.010 53: 7 4 3 8 9 6 4 2 7 8 7658.1310 -0.0173 0.010 54: 7 4 4 7 8 6 4 3 6 7 7658.2610 -0.0142 0.010 55: 7 5 2 7 8 6 5 1 6 7 7657.4380 -0.0006 0.010 56: 7 5 2 8 9 6 5 1 7 8 7657.2400 0.0034 0.010 57: 8 0 8 9 10 7 0 7 8 9 8696.8630 -0.0001 0.010 58: 8 1 7 9 10 7 1 6 8 9 8976.8430 0.0064 0.010 59: 8 1 8 9 10 7 1 7 8 9 8495.5300 -0.0100 0.010 60: 8 2 6 9 10 7 2 5 8 9 8792.8250 -0.0040 0.010 61: 8 2 7 7 7 8 1 8 7 7 14220.2210 -0.0003 0.010 62: 8 2 7 9 10 7 2 6 8 9 8741.0370 -0.0023 0.010 63: 8 3 5 9 10 7 3 4 8 9 8756.6220 -0.0139 0.010 64: 8 3 6 9 10 7 3 5 8 9 8755.6130 -0.0099 0.010 65: 8 4 4 9 10 7 4 3 8 9 8753.0070 -0.0071 0.010 66: 8 4 5 8 9 7 4 4 7 8 8753.0750 -0.0185 0.010 67: 8 5 3 9 10 7 5 2 8 9 8751.6530 -0.0129 0.010 68: 8 5 4 8 9 7 5 3 7 8 8751.7900 -0.0118 0.010 69: 9 0 9 10 11 8 0 8 9 10 9768.7030 0.0001 0.010 70: 9 1 8 10 11 8 1 7 9 10 10094.6040 0.0042 0.010 71: 9 1 9 10 11 8 1 8 9 10 9553.8520 -0.0046 0.010 72: 9 2 7 10 11 8 2 6 9 10 9904.5290 -0.0118 0.010 73: 9 2 8 10 11 8 2 7 9 10 9831.0220 -0.0003 0.010 74: 9 3 6 10 11 8 3 5 9 10 9853.5640 -0.0027 0.010 75: 9 3 7 10 11 8 3 6 9 10 9851.7080 -0.0032 0.010 76: 9 4 5 9 10 8 4 4 8 9 9848.2830 0.0126 0.010 77: 9 4 5 10 11 8 4 4 9 10 9848.1960 -0.0140 0.010 78: 9 5 4 10 11 8 5 3 9 10 9846.3000 0.0041 0.010 79: 9 5 5 9 10 8 5 4 8 9 9846.3770 -0.0145 0.010 80: 9 6 3 9 10 8 6 2 8 9 9845.4230 -0.0049 0.010 81: 9 6 3 10 11 8 6 2 9 10 9845.2910 0.0011 0.010 82: 10 0 10 11 12 9 0 9 10 11 10835.5640 -0.0010 0.010 83: 10 1 9 11 12 9 1 8 10 11 11210.7190 0.0070 0.010 84: 10 1 10 11 12 9 1 9 10 11 10610.9960 -0.0049 0.010 85: 10 2 8 11 12 9 2 7 10 11 11020.2790 -0.0046 0.010 86: 10 2 9 11 12 9 2 8 10 11 10920.0770 0.0047 0.010 87: 10 3 7 11 12 9 3 6 10 11 10951.4500 0.0065 0.010 88: 10 3 8 11 12 9 3 7 10 11 10948.2710 0.0042 0.010 89: 10 4 6 11 12 9 4 5 10 11 10943.7520 -0.0297 0.010 90: 10 5 5 11 12 9 5 4 10 11 10941.1540 -0.0006 0.010 91: 10 6 4 11 12 9 6 3 10 11 10939.7810 -0.0010 0.010 92: 11 0 11 12 13 10 0 10 11 12 11897.2180 -0.0065 0.010 93: 11 1 10 12 13 10 1 9 11 12 12324.9310 0.0069 0.010 94: 11 1 11 12 13 10 1 10 11 12 11666.8980 -0.0024 0.010 95: 11 2 9 12 13 10 2 8 11 12 12140.1870 0.0077 0.010 96: 11 2 10 12 13 10 2 9 11 12 12008.0950 0.0067 0.010 97: 11 3 8 12 13 10 3 7 11 12 12050.4430 0.0079 0.010 98: 11 3 9 12 13 10 3 8 11 12 12045.2900 0.0076 0.010 99: 11 4 7 12 13 10 4 6 11 12 12039.7890 0.0135 0.010 100: 11 4 8 12 13 10 4 7 11 12 12039.6750 -0.0265 0.010 101: 11 5 6 12 13 10 5 5 11 12 12036.2630 -0.0064 0.010 102: 11 6 5 12 13 10 6 4 11 12 12034.4500 0.0024 0.010 103: 11 7 4 12 13 10 7 3 11 12 12033.3690 0.0038 0.010 104: 11 7 5 11 12 10 7 4 10 11 12033.4530 -0.0156 0.010 105: 11 8 4 11 12 10 8 3 10 11 12032.8140 0.0136 0.010 106: 11 8 4 12 13 10 8 3 11 12 12032.6580 -0.0070 0.010 107: 11 9 3 12 13 10 9 2 11 12 12032.1660 -0.0164 0.010 108: 12 0 12 13 14 11 0 11 12 13 12953.6050 -0.0027 0.010 109: 12 1 11 13 14 11 1 10 12 13 13436.9730 0.0060 0.010 110: 12 1 12 13 14 11 1 11 12 13 12721.4990 0.0006 0.010 111: 12 2 10 13 14 11 2 9 12 13 13264.1830 -0.0027 0.010 112: 12 2 11 13 14 11 2 10 12 13 13094.9740 0.0031 0.010 113: 12 3 9 13 14 11 3 8 12 13 13150.7440 0.0105 0.010 114: 12 3 10 13 14 11 3 9 12 13 13142.7460 0.0086 0.010 115: 12 4 8 13 14 11 4 7 12 13 13136.2430 0.0037 0.010 116: 12 4 9 13 14 11 4 8 12 13 13136.1130 0.0122 0.010 117: 12 5 7 13 14 11 5 6 12 13 13131.6600 -0.0070 0.010 118: 12 6 6 13 14 11 6 5 12 13 13129.3030 -0.0020 0.010 119: 12 7 5 13 14 11 7 4 12 13 13127.9080 0.0035 0.010 120: 12 8 4 12 13 11 8 3 11 12 13127.1000 -0.0054 0.010 121: 12 8 4 13 14 11 8 3 12 13 13127.0100 0.0090 0.010 122: 12 9 3 13 14 11 9 2 12 13 13126.3870 0.0062 0.010 123: 12 9 4 12 13 11 9 3 11 12 13126.5090 -0.0040 0.010 124: 13 0 13 14 15 12 0 12 13 14 14004.8060 -0.0029 0.010 125: 13 1 12 14 15 12 1 11 13 14 14546.5500 0.0001 0.010 126: 13 1 13 14 15 12 1 12 13 14 13774.7530 -0.0016 0.010 127: 13 2 11 14 15 12 2 10 13 14 14392.0990 0.0007 0.010 128: 13 2 12 14 15 12 2 11 13 14 14180.6250 0.0025 0.010 129: 13 3 10 14 15 12 3 9 13 14 14252.5560 0.0047 0.010 130: 13 3 11 14 15 12 3 10 13 14 14240.6020 0.0082 0.010 131: 13 4 9 14 15 12 4 8 13 14 14233.2320 0.0093 0.010 132: 13 4 10 14 15 12 4 9 13 14 14232.9820 0.0054 0.010 133: 13 5 8 14 15 12 5 7 13 14 14227.3730 -0.0010 0.010 134: 13 6 7 14 15 12 6 6 13 14 14224.3630 -0.0097 0.010 135: 13 7 6 14 15 12 7 5 13 14 14222.5890 -0.0066 0.010 136: 13 8 5 14 15 12 8 4 13 14 14221.4500 -0.0011 0.010 137: 13 9 4 14 15 12 9 3 13 14 14220.6650 -0.0024 0.010 138: 13 9 5 13 14 12 9 4 12 13 14220.7550 -0.0167 0.010 139: 13 10 4 14 15 12 10 3 13 14 14220.1120 0.0076 0.010 140: 14 0 14 15 16 13 0 13 14 15 15051.0880 -0.0039 0.010 141: 14 1 13 15 16 13 1 12 14 15 15653.3630 0.0024 0.010 142: 14 1 14 15 16 13 1 13 14 15 14826.6500 0.0044 0.010 143: 14 2 12 15 16 13 2 11 14 15 15523.5320 -0.0038 0.010 144: 14 2 13 15 16 13 2 12 14 15 15264.9480 0.0000 0.010 145: 14 3 11 15 16 13 3 10 14 15 15356.1210 0.0010 0.010 146: 14 3 12 15 16 13 3 11 14 15 15338.7990 0.0022 0.010 147: 14 4 10 15 16 13 4 9 14 15 15330.7870 0.0053 0.010 148: 14 4 11 15 16 13 4 10 14 15 15330.3700 0.0062 0.010 149: 14 5 9 15 16 13 5 8 14 15 15323.4230 0.0059 0.010 150: 14 6 8 15 16 13 6 7 14 15 15319.6660 -0.0029 0.010 151: 14 7 7 15 16 13 7 6 14 15 15317.4460 -0.0060 0.010 152: 14 8 6 15 16 13 8 5 14 15 15316.0300 0.0039 0.010 153: 14 9 5 15 16 13 9 4 14 15 15315.0560 0.0049 0.010 154: 14 10 4 15 16 13 10 3 14 15 15314.3680 0.0157 0.010 155: 15 0 15 16 17 14 0 14 15 16 16092.8770 0.0005 0.010 156: 15 1 14 16 17 14 1 13 15 16 16757.0610 -0.0043 0.010 157: 15 1 15 16 17 14 1 14 15 16 15877.1700 0.0061 0.010 158: 15 2 13 16 17 14 2 12 15 16 16657.9510 -0.0068 0.010 159: 15 2 14 16 17 14 2 13 15 16 16347.8550 0.0033 0.010 160: 15 3 12 16 17 14 3 11 15 16 16461.6990 0.0019 0.010 161: 15 3 13 16 17 14 3 12 15 16 16437.2780 0.0026 0.010 162: 15 4 11 16 17 14 4 10 15 16 16428.9760 0.0036 0.010 163: 15 4 12 16 17 14 4 11 15 16 16428.2960 0.0063 0.010 164: 15 5 10 16 17 14 5 9 15 16 16419.8250 0.0020 0.010 165: 15 6 9 16 17 14 6 8 15 16 16415.2170 0.0054 0.010 166: 15 7 8 16 17 14 7 7 15 16 16412.4840 -0.0027 0.010 167: 15 8 7 16 17 14 8 6 15 16 16410.7330 -0.0026 0.010 168: 15 9 7 16 17 14 9 6 15 16 16409.5380 -0.0017 0.010 169: 15 10 5 16 17 14 10 4 15 16 16408.7040 0.0201 0.010 170: 16 0 16 17 18 15 0 15 16 17 17130.7100 0.0023 0.010 171: 16 1 15 17 18 15 1 14 16 17 17857.3070 -0.0049 0.010 172: 16 1 16 17 18 15 1 15 16 17 16926.3240 0.0064 0.010 173: 16 2 14 17 18 15 2 13 16 17 17794.6820 -0.0100 0.010 174: 16 2 15 17 18 15 2 14 16 17 17429.2560 -0.0018 0.010 175: 16 3 13 17 18 15 3 12 16 17 17569.5500 -0.0031 0.010 176: 16 3 14 17 18 15 3 13 16 17 17535.9460 0.0027 0.010 177: 16 4 12 17 18 15 4 11 16 17 17527.8620 0.0026 0.010 178: 16 4 13 17 18 15 4 12 16 17 17526.7820 0.0016 0.010 179: 16 5 11 17 18 15 5 10 16 17 17516.6160 -0.0030 0.010 180: 16 6 10 17 18 15 6 9 16 17 17511.0230 0.0045 0.010 181: 16 7 9 17 18 15 7 8 16 17 17507.7140 0.0009 0.010 182: 16 8 8 17 18 15 8 7 16 17 17505.5830 -0.0070 0.010 183: 16 9 7 17 18 15 9 6 16 17 17504.1330 -0.0084 0.010 184: 16 10 7 17 18 15 10 6 16 17 17503.1160 0.0100 0.010 185: 17 0 17 18 19 16 0 16 17 18 18165.2150 0.0010 0.010 186: 17 1 17 18 19 16 1 16 17 18 17974.1320 0.0024 0.010 187: 17 2 16 18 19 16 2 15 17 18 18509.0710 0.0016 0.010 188: 17 5 12 18 19 16 5 11 17 18 18613.8160 -0.0159 0.010 189: 17 6 11 18 19 16 6 10 17 18 18607.1020 -0.0056 0.010 190: 17 7 10 18 19 16 7 9 17 18 18603.1320 -0.0117 0.010 -------------------------------------------------------------------------------- PARAMETERS IN FIT (values truncated and Nlines statistics): 10000 A / /MHz 4920.843(15) 1 20000 B / /MHz 576.93690(17) 2 30000 C / /MHz 516.64801(18) 3 1100 DJK / /kHz 0.0182(12) 4 200 DJ / /kHz 0.00818(25) 5 110010000 (1 N-14) /MHz 1.981(21) 6 110040000 (1 N-14) /MHz 1.008(64) 7 110610000 (1 N-14) /MHz [ 0.031735494] 8 220010000 (3 N-14) /MHz -0.201(48) 9 220040000 (3 N-14) /MHz -1.181(88) 10 220610000 (3 N-14) /MHz [-2.9341538] 11 MICROWAVE AVG = 0.000370 MHz, IR AVG = 0.00000 MICROWAVE RMS = 0.009965 MHz, IR RMS = 0.00000 END OF ITERATION 1 OLD, NEW RMS ERROR= 0.99646 0.99646 distinct frequency lines in fit: 190 distinct parameters of fit: 9 MICROWAVE lines fitted lines lines RMS RMS ERROR J range Ka range freq. range total dv=0 dv.ne.0 UNFITTD e>900 v"= 1 1 0 1 0 0 0.030000 3.00000 2 3 2 2 3280 3280 v"= 2 8 0 8 0 0 0.012272 1.22716 1 4 0 3 2127 4375 v"= 3 10 0 10 0 0 0.012942 1.29416 2 5 0 4 3190 5469 v"= 4 9 0 9 0 0 0.016789 1.67891 3 5 0 4 4368 5470 v"= 5 10 0 10 0 0 0.015045 1.50448 4 6 0 4 5315 6565 v"= 6 9 0 9 0 0 0.010885 1.08850 5 7 0 5 6376 7658 v"= 7 12 1 11 0 0 0.010008 1.00076 6 8 0 5 7436 14220 v"= 8 12 0 12 0 0 0.009413 0.94133 7 9 0 6 8496 9848 v"= 9 10 0 10 0 0 0.006401 0.64007 8 9 0 6 9554 10095 v"=10 12 0 12 0 0 0.011139 1.11390 9 11 0 8 10611 12033 v"=11 16 0 16 0 0 0.010089 1.00894 10 12 0 9 11667 13127 v"=12 15 0 15 0 0 0.007620 0.76196 11 13 0 9 12721 14221 v"=13 15 0 15 0 0 0.005330 0.53297 12 13 0 10 13775 14547 v"=14 15 0 15 0 0 0.005728 0.57275 13 14 0 10 14827 15653 v"=15 15 0 15 0 0 0.006482 0.64818 14 15 0 10 15877 16757 v"=16 15 0 15 0 0 0.005473 0.54732 15 16 0 10 16926 17857 v"=17 6 0 6 0 0 0.008469 0.84694 16 17 0 7 17974 18614 -------------------------------------------------------------------------------------------- total: 190 1 189 0 0 0.009931 0.99307 PARAMETERS IN FIT WITH STANDARD ERRORS ON THOSE THAT ARE FITTED: (values rounded and degrees of freedom, Ndegf=Nlines-Nconst, statistics) 10000 A / /MHz 4920.844(15) 1 20000 B / /MHz 576.93690(17) 2 30000 C / /MHz 516.64802(18) 3 1100 DJK / /kHz 0.0183(12) 4 200 DJ / /kHz 0.00819(26) 5 110010000 (1 N-14) /MHz 1.982(21) 6 110040000 (1 N-14) /MHz 1.008(65) 7 110610000 (1 N-14) /MHz [ 0.031735494] 8 220010000 (3 N-14) /MHz -0.201(49) 9 220040000 (3 N-14) /MHz -1.181(89) 10 220610000 (3 N-14) /MHz [-2.9341538] 11 ------------------------------------------------------------------------------------------ Worst fitted constants, with greater than 20% uncertainty: % 220010000 (3 N-14) /MHz -0.201(49) 9 24.4 ------------------------------------------------------------------------------------------ CORRELATION COEFFICIENTS, C.ij: A / B / C / -DJK / -DJ / (1 N-14) (1 N-14) (3 N-14) A / 1.0000 B / -0.1201 1.0000 C / 0.3074 -0.3467 1.0000 -DJK / 0.0461 -0.1473 0.0842 1.0000 -DJ / -0.1666 -0.4077 -0.6091 -0.2435 1.0000 (1 N-14) -0.0438 -0.0310 0.0295 0.0366 0.0146 1.0000 (1 N-14) -0.1270 -0.4158 0.3589 -0.0343 0.0311 0.1153 1.0000 (3 N-14) 0.2381 0.2318 0.2762 0.2335 -0.4047 0.0656 -0.0880 1.0000 (3 N-14) 0.9035 -0.2249 0.3724 0.0165 -0.1287 0.0039 0.2456 0.1814 (3 N-14) (3 N-14) 1.0000 Mean value of |C.ij|, i.ne.j = 0.2037 Mean value of C.ij, i.ne.j = 0.0070 No correlations with absolute value greater than 0.9950 Worst fitted lines (obs-calc/error): 34: 3.7 30: 3.3 12: -3.0 89: -3.0 24: 2.9 100: -2.6 31: 2.3 42: -2.2 15: 2.1 18: 2.0 40: -2.0 169: 2.0 66: -1.8 23: 1.8 53: -1.7 138: -1.7 107: -1.6 188: -1.6 154: 1.6 2: 1.6 104: -1.6 79: -1.4 32: 1.4 54: -1.4 77: -1.4 63: -1.4 50: -1.4 4: 1.4 105: 1.4 99: 1.3 41: -1.3 27: 1.3 67: -1.3 22: -1.3 76: 1.3 116: 1.2 48: -1.2 13: 1.2 3: 1.2 68: -1.2 72: -1.2 190: -1.2 26: 1.1 17: 1.1 25: 1.1 113: 1.1 43: -1.0 7: 1.0 59: -1.0 184: 1.0 34/ 5 4 1 4 5 4 4 0 3 4 5469.1490 0.0370 0.010 30/ 5 3 2 5 6 4 3 1 4 5 5470.2860 0.0332 0.010 12: 3 2 2 2 3 2 2 1 1 2 3280.3960 -0.0300 0.010 89: 10 4 6 11 12 9 4 5 10 11 10943.7520 -0.0297 0.010 24: 5 0 5 6 7 4 0 4 5 6 5455.5000 0.0285 0.010 100: 11 4 8 12 13 10 4 7 11 12 12039.6750 -0.0265 0.010 31: 5 3 2 6 7 4 3 1 5 6 5470.0770 0.0227 0.010 42: 6 3 3 6 7 5 3 2 5 6 6565.1030 -0.0218 0.010 15: 4 0 4 5 6 3 0 3 4 5 4368.1230 0.0215 0.010 18: 4 2 2 5 6 3 2 1 4 5 4380.0570 0.0205 0.010 _____________________________________ __________________________________________/ SPFIT output reformatted with PIFORM