Polyethylene terephthalate (C10H8O4)n, C.F. Araujo, Universidade de Aveiro, Portugal, Macromolecules 51 (2018) 3515−3526 C (CM-1) COUNTS ERROR 24.2571,2.66946,0.0729702 24.3784,2.72452,0.0735383 24.5003,2.83258,0.0748009 24.6228,2.72871,0.0730909 24.7459,2.82022,0.0742446 24.8696,2.80568,0.073832 24.994,2.84643,0.0742082 25.119,2.77039,0.0730544 25.2446,2.80094,0.0730608 25.3708,2.79602,0.0728592 25.4976,2.73314,0.0718491 25.6251,2.68358,0.0710426 25.7533,2.84073,0.0728743 25.882,2.87707,0.0731444 26.0114,2.70311,0.0707835 26.1415,2.7364,0.071022 26.2722,2.85099,0.0723326 26.4036,2.75798,0.0708707 26.5356,2.7747,0.0708862 26.6682,2.92036,0.0725979 26.8016,3.02085,0.073608 26.9356,2.9493,0.0725158 27.0703,2.89078,0.0716537 27.2056,2.88663,0.0715467 27.3417,2.7731,0.0698577 27.4784,2.83004,0.0704838 27.6158,2.87148,0.0707764 27.7538,2.92611,0.0712781 27.8926,2.79826,0.0695819 28.0321,2.88825,0.0705252 28.1722,2.76083,0.0688828 28.3131,2.894,0.0702967 28.4547,2.93188,0.0706578 28.5969,2.96664,0.0709036 28.7399,2.86555,0.0695139 28.8836,3.0473,0.0715565 29.028,2.84195,0.0689344 29.1732,2.82261,0.0686002 29.319,2.8126,0.0682803 29.4656,2.8156,0.068143 29.613,2.86392,0.068553 29.761,2.94878,0.0694455 29.9098,2.92551,0.0690179 30.0594,2.92531,0.0688737 30.2097,2.98548,0.0694058 30.3607,2.96482,0.069006 30.5125,2.93679,0.0685737 30.6651,2.93887,0.0684234 30.8184,3.02291,0.0692818 30.9725,2.90055,0.0677204 31.1274,2.86498,0.0671241 31.283,2.97627,0.0683106 31.4394,2.98235,0.068227 31.5966,2.93636,0.0675748 31.7546,2.94011,0.067429 31.9134,2.97674,0.0677318 32.0729,3.10587,0.0690543 32.2333,2.84494,0.0659792 32.3945,2.89726,0.0664076 32.5564,3.06091,0.0681556 32.7192,2.91502,0.066287 32.8828,2.96777,0.066761 33.0472,2.90365,0.065911 33.2125,2.94332,0.0663171 33.3785,2.95809,0.0662867 33.5454,2.97991,0.0663939 33.7132,2.95558,0.0659877 33.8817,2.935,0.0655641 34.0511,2.98295,0.0659733 34.2214,3.01137,0.0661836 34.3925,2.9508,0.0653282 34.5645,3.09504,0.0668112 34.7373,3.04375,0.0661321 34.911,3.04539,0.0659973 35.0855,2.99429,0.0653145 35.2609,2.93219,0.0644212 35.4373,2.99791,0.0650568 35.6144,2.989,0.0647691 35.7925,3.03074,0.0651012 35.9715,3.05472,0.0652174 36.1513,3.04574,0.0650448 36.3321,3.04378,0.0647683 36.5137,3.09093,0.0651703 36.6963,3.00344,0.0641282 36.8798,3.06443,0.0646313 37.0642,2.87707,0.0624306 37.2495,2.98433,0.0635103 37.4358,2.93093,0.0628005 37.6229,3.05751,0.0639966 37.8111,3.02316,0.0634971 38.0001,3.00394,0.0631802 38.1901,3.09775,0.0640257 38.3811,3.09915,0.0638498 38.573,3.00943,0.062769 38.7658,3.0894,0.0635076 38.9597,3.17805,0.064219 39.1545,3.10034,0.0633621 39.3502,3.18487,0.0640451 39.547,3.08356,0.0628795 39.7447,3.0306,0.0622212 39.9434,3.08365,0.0625758 40.1432,2.98775,0.0615196 40.3439,3.04064,0.061882 40.5456,3.05678,0.0619812 40.7483,3.09007,0.0621561 40.9521,3.0081,0.0611488 41.1568,3.09474,0.061938 41.3626,3.12829,0.0621877 41.5694,3.12742,0.0619651 41.7773,3.01611,0.0607131 41.9862,3.11241,0.0615731 42.1961,2.99405,0.0603169 42.4071,3.11431,0.0613646 42.6191,3.13468,0.0614547 42.8322,3.10195,0.0609513 43.0464,3.063,0.0604474 43.2616,3.14505,0.0611484 43.4779,3.05965,0.060188 43.6953,3.11194,0.0605396 43.9138,3.11912,0.060498 44.1333,3.15516,0.0606747 44.354,3.11225,0.0602192 44.5758,3.15065,0.0604456 44.7987,3.11966,0.0600142 45.0226,3.06447,0.0593408 45.2478,3.12958,0.0598522 45.474,3.10594,0.0594438 45.7014,3.07338,0.0590529 45.9299,3.11146,0.059311 46.1595,3.06515,0.0587511 46.3903,3.0618,0.0585854 46.6223,3.10575,0.0589077 46.8554,3.08432,0.0585557 47.0897,3.05469,0.0581738 47.3251,3.13274,0.0587925 47.5617,3.15809,0.058942 47.7995,3.11435,0.0584128 48.0385,3.09913,0.058141 48.2787,3.02484,0.0573287 48.5201,3.17035,0.0585687 48.7627,3.13808,0.0581444 49.0065,3.14662,0.0581407 49.2516,3.09297,0.0575113 49.4978,3.04754,0.0569672 49.7453,3.06984,0.0571016 49.994,3.12937,0.0575285 50.244,3.08552,0.0570247 50.4952,3.03696,0.0564542 50.7477,3.09682,0.0569101 51.0015,3.03704,0.0562536 51.2565,3.08984,0.0566611 51.5127,3.13261,0.0569515 51.7703,3.14713,0.0570178 52.0292,3.12313,0.0566728 52.2893,3.12459,0.0565899 52.5507,3.07793,0.0560969 52.8135,3.00751,0.0553122 53.0776,3.01728,0.0553099 53.343,3.06891,0.0556597 53.6097,3.04186,0.0554011 53.8777,3.11826,0.0558937 54.1471,3.00386,0.0547698 54.4178,3.08159,0.0554256 54.6899,3.02979,0.0548038 54.9634,3.09333,0.0553391 55.2382,3.06816,0.0550006 55.5144,3.06557,0.0548876 55.792,2.99594,0.0541859 56.0709,3.0968,0.0549923 56.3513,3.15032,0.055386 56.633,3.13677,0.0551843 56.9162,3.05992,0.0543798 57.2008,3.07733,0.054487 57.4868,3.00743,0.0537844 57.7742,3.06818,0.0542439 58.0631,3.04161,0.0538981 58.3534,3.10648,0.0544328 58.6452,3.0915,0.0541828 58.9384,3.12464,0.0544021 59.2331,3.05108,0.0536509 59.5293,3.21467,0.0549527 59.8269,3.16786,0.0544764 60.126,3.13302,0.0541095 60.4267,3.13574,0.0540574 60.7288,3.17197,0.0542582 61.0324,3.23218,0.0547007 61.3376,3.21669,0.0544647 61.6443,3.1006,0.0534206 61.9525,3.13227,0.0535627 62.2623,3.1137,0.053332 62.5736,3.19597,0.0539642 62.8865,3.20062,0.0539074 63.2009,3.3064,0.0546933 63.5169,3.13798,0.0532235 63.8345,3.23055,0.0539117 64.1537,3.22351,0.0537881 64.4744,3.26885,0.0540743 64.7968,3.35366,0.0547231 65.1208,3.26034,0.0538583 65.4464,3.30239,0.0541138 65.7736,3.31637,0.0541529 66.1025,3.33569,0.054249 66.433,3.28273,0.0537491 66.7652,3.42651,0.0548368 67.099,3.37599,0.0543486 67.4345,3.39406,0.054457 67.7716,3.36521,0.0541297 68.1105,3.45179,0.0547684 68.4511,3.46329,0.0547882 68.7933,3.44356,0.0545375 69.1373,3.45108,0.0545478 69.483,3.47566,0.0546796 69.8304,3.51753,0.0549672 70.1795,3.6104,0.0556074 70.5304,3.5917,0.0554207 70.8831,3.65625,0.0558392 71.2375,3.61385,0.0554526 71.5937,3.61839,0.055429 71.9517,3.67581,0.0558056 72.3114,3.77858,0.0565162 72.673,3.63446,0.0553775 73.0363,3.76488,0.0563028 73.4015,3.66763,0.0554884 73.7685,3.70932,0.0557559 74.1374,3.74256,0.0559279 74.5081,3.74515,0.0558768 74.8806,3.7287,0.0556528 75.255,3.67398,0.0552081 75.6313,3.60507,0.0546057 76.0094,3.72403,0.0554424 76.3895,3.6575,0.0548871 76.7714,3.66963,0.0548532 77.1553,3.64766,0.0545993 77.5411,3.656,0.0546077 77.9288,3.57841,0.0539465 78.3184,3.56363,0.0537776 78.71,3.5864,0.0538377 79.1035,3.66967,0.054382 79.4991,3.66863,0.0543055 79.8966,3.64807,0.0540956 80.296,3.67836,0.0542478 80.6975,3.64325,0.0539148 81.101,3.64338,0.0538523 81.5065,3.63511,0.0537206 81.9141,3.69563,0.0540976 82.3236,3.57699,0.0531343 82.7352,3.7401,0.0542661 83.1489,3.64331,0.0534996 83.5647,3.82768,0.0547416 83.9825,3.85034,0.0548652 84.4024,3.73119,0.0539545 84.8244,3.80518,0.0544159 85.2485,3.69529,0.0535667 85.6748,3.69668,0.0535396 86.1031,3.79652,0.0542 86.5337,3.76952,0.0539462 86.9663,3.76939,0.0538645 87.4012,3.81611,0.0541475 87.8382,3.76393,0.053736 88.2774,3.83325,0.0541465 88.7187,3.86758,0.054305 89.1623,3.75272,0.053412 89.6082,3.88496,0.0542854 90.0562,3.90758,0.0543453 90.5065,3.87464,0.0540352 90.959,3.86962,0.0539286 91.4138,3.88598,0.0539379 91.8709,3.96779,0.0544333 92.3302,3.96366,0.0543108 92.7919,4.01887,0.0545978 93.2558,3.9426,0.0540034 93.7221,3.9998,0.0543153 94.1907,4.00167,0.0542335 94.6617,4.07249,0.0546331 95.135,4.0039,0.0541106 95.6107,4.1097,0.0547124 96.0887,4.10155,0.0545692 96.5692,4.0775,0.0543413 97.052,4.05849,0.0541346 97.5373,4.04498,0.0539659 98.0249,3.99655,0.0535672 98.5151,4.01346,0.0536084 99.0076,4.11409,0.0541931 99.5027,4.14957,0.0543364 100,4.12337,0.0540682 100.5,4.0914,0.0537588 101.003,4.07988,0.0536264 101.508,4.14461,0.0539912 102.015,4.09162,0.0535462 102.525,4.15693,0.0538885 103.038,4.12099,0.0536316 103.553,4.10917,0.0534385 104.071,4.0339,0.0529176 104.591,4.08765,0.053189 105.114,4.0719,0.0530104 105.64,3.98958,0.0523907 106.168,4.00872,0.0524962 106.699,4.08926,0.0529416 107.232,4.09279,0.0528556 107.768,4.00896,0.0522458 108.307,4.06615,0.0525801 108.849,3.9983,0.0520763 109.393,4.09205,0.052642 109.94,3.96315,0.0517373 110.49,3.98002,0.0517812 111.042,3.86783,0.0510102 111.597,4.00805,0.051857 112.155,3.96258,0.0515097 112.716,3.98833,0.051624 113.28,3.94769,0.0513339 113.846,3.94021,0.0512446 114.415,3.90573,0.0509653 114.987,3.85968,0.0505898 115.562,3.85082,0.0504962 116.14,3.92474,0.0509691 116.721,3.849,0.0504197 117.305,3.89524,0.0506733 117.891,3.91807,0.0507972 118.481,3.96392,0.051096 119.073,3.95852,0.051009 119.668,3.90878,0.0506832 120.267,3.89016,0.050486 120.868,3.85639,0.050275 121.472,3.98117,0.0510419 122.08,3.9536,0.0508619 122.69,4.0122,0.0511977 123.304,3.8816,0.0503374 123.92,4.00846,0.051131 124.54,3.90421,0.050419 125.162,4.00705,0.0510612 125.788,3.97509,0.0508507 126.417,3.97015,0.0507556 127.049,4.01177,0.0510093 127.684,4.06615,0.0513062 128.323,4.05852,0.0512578 128.964,3.95878,0.0505887 129.609,4.05676,0.0511678 130.257,3.98184,0.0506693 130.909,3.92062,0.0502616 131.563,3.97271,0.0505574 132.221,3.9645,0.0504759 132.882,3.98766,0.0505851 133.546,3.99175,0.0505671 134.214,3.96906,0.050404 134.885,3.86712,0.049737 135.56,3.94569,0.050208 136.238,3.94334,0.0501405 136.919,4.02538,0.0506393 137.603,3.92992,0.0500051 138.291,3.98308,0.0503016 138.983,4.0491,0.0506895 139.678,4.03888,0.0505898 140.376,3.90114,0.0496784 141.078,3.8839,0.0495272 141.783,3.84407,0.0492407 142.492,3.93232,0.0497767 143.205,3.84281,0.0491771 143.921,3.91488,0.049624 144.64,3.85399,0.0491666 145.364,3.88608,0.0493694 146.09,3.84297,0.049059 146.821,3.83367,0.0489739 147.555,3.84913,0.0490171 148.293,3.83362,0.048931 149.034,3.82885,0.0488508 149.779,3.87255,0.0490942 150.528,3.86516,0.0490155 151.281,3.76513,0.0483571 152.037,3.86691,0.0489737 152.797,3.8919,0.0491289 153.561,3.85154,0.0488196 154.329,3.87068,0.0489345 155.101,3.74122,0.0480776 155.876,3.88125,0.0489433 156.656,3.7217,0.047892 157.439,3.75425,0.0481171 158.226,3.66494,0.047518 159.017,3.75531,0.0480675 159.812,3.77279,0.0481665 160.612,3.69998,0.0476797 161.415,3.62974,0.0472197 162.222,3.68592,0.0475453 163.033,3.65941,0.047408 163.848,3.6441,0.0472859 164.667,3.66565,0.0474409 165.491,3.57332,0.0468133 166.318,3.5353,0.0465807 167.15,3.57642,0.0468409 167.985,3.51234,0.0464196 168.825,3.52694,0.0464931 169.669,3.55259,0.0466806 170.518,3.51247,0.046398 171.37,3.47463,0.0461662 172.227,3.40544,0.045702 173.088,3.42757,0.0458446 173.954,3.34965,0.0453335 174.823,3.4056,0.0457029 175.698,3.30059,0.0450059 176.576,3.31702,0.0450853 177.459,3.32639,0.0451677 178.346,3.32171,0.0451507 179.238,3.2714,0.0448101 180.134,3.26473,0.0447569 181.035,3.19467,0.0442667 181.94,3.29079,0.0449033 182.85,3.25716,0.0446742 183.764,3.21428,0.0443706 184.683,3.18989,0.0442 185.606,3.21806,0.0443979 186.534,3.20686,0.0443181 187.467,3.23405,0.0444786 188.404,3.15692,0.0439325 189.346,3.1828,0.0441112 190.293,3.21959,0.0443731 191.244,3.15148,0.0438935 192.201,3.15955,0.0439484 193.162,3.19055,0.0441527 194.128,3.11566,0.043622 195.098,3.15062,0.0438242 196.074,3.15575,0.0438767 197.054,3.12359,0.0436347 198.039,3.17751,0.0440198 199.029,3.20599,0.0442075 200.025,3.24631,0.044471 201.025,3.17339,0.0439809 202.03,3.13527,0.0436924 203.04,3.17807,0.0440007 204.055,3.13805,0.043709 205.075,3.1731,0.0439469 206.101,3.1833,0.0440111 207.131,3.12054,0.0435976 208.167,3.1848,0.0440337 209.208,3.11082,0.0435345 210.254,3.02808,0.0429706 211.305,3.0619,0.0432028 212.362,3.00017,0.0427869 213.424,2.88288,0.041956 214.491,2.9033,0.0421147 215.563,2.86116,0.0418084 216.641,2.86748,0.0418719 217.724,2.85365,0.041791 218.813,2.82556,0.0416128 219.907,2.855,0.0418567 221.006,2.73141,0.0409555 222.111,2.75806,0.0411357 223.222,2.79874,0.0414733 224.338,2.7882,0.0413715 225.46,2.86191,0.0419257 226.587,2.77067,0.0412626 227.72,2.80486,0.0415244 228.859,2.82,0.0416202 230.003,2.91444,0.0422902 231.153,2.91562,0.0422973 232.309,2.90782,0.0422609 233.47,2.78068,0.0413128 234.638,2.9095,0.0422421 235.811,2.87285,0.0419855 236.99,2.9523,0.0425247 238.175,3.01441,0.0429826 239.366,3.05699,0.0433042 240.562,3.13715,0.0438654 241.765,3.03975,0.0431715 242.974,3.11154,0.043694 244.189,3.07656,0.0434204 245.41,2.94912,0.0425481 246.637,2.85048,0.0418383 247.87,2.85634,0.041862 249.109,2.8166,0.0415833 250.355,2.80838,0.0415118 251.607,2.82713,0.0416707 252.865,2.81345,0.0415753 254.129,2.85707,0.0418861 255.4,2.78883,0.0414083 256.677,2.76076,0.0411924 257.96,2.80821,0.0415373 259.25,2.87409,0.0419992 260.546,2.8072,0.0415319 261.849,2.75891,0.0411849 263.158,2.85854,0.0419358 264.474,2.81356,0.0416052 265.796,2.86497,0.0419632 267.125,2.94664,0.0425871 268.461,2.92134,0.0423996 269.803,3.02128,0.0431257 271.152,3.08017,0.0435681 272.508,3.17802,0.0442695 273.871,3.19131,0.0443789 275.24,3.30177,0.045121 276.616,3.23345,0.0447032 277.999,3.19214,0.0444242 279.389,3.1556,0.0442101 280.786,3.10625,0.0438695 282.19,3.14595,0.0441924 283.601,3.19183,0.044537 285.019,3.15607,0.0442972 286.444,3.03968,0.0434979 287.876,3.0631,0.0436759 289.316,3.06281,0.0436946 290.762,3.0845,0.0438582 292.216,2.95332,0.0429648 293.677,3.00536,0.0433898 295.146,2.90621,0.0427065 296.621,2.84483,0.0422953 298.104,2.89326,0.0426653 299.595,2.71969,0.041383 301.093,2.71097,0.0413286 302.598,2.57762,0.040352 304.111,2.58681,0.0404693 305.632,2.48789,0.039711 307.16,2.50527,0.0398824 308.696,2.3804,0.0389125 310.239,2.37401,0.0388772 311.791,2.33307,0.0386057 313.35,2.26558,0.0380875 314.916,2.26009,0.0380755 316.491,2.25844,0.0381081 318.073,2.20879,0.0377087 319.664,2.16771,0.0374273 321.262,2.14027,0.037203 322.868,2.08567,0.0367986 324.483,2.06242,0.0366533 326.105,2.02728,0.0364118 327.736,2.06527,0.0367654 329.374,2.16948,0.0377544 331.021,2.18732,0.0379485 332.676,2.13572,0.0375393 334.34,2.15864,0.0377916 336.011,2.26556,0.0387968 337.691,2.1681,0.0379776 339.38,2.15354,0.037874 341.077,2.24662,0.0387785 342.782,2.35845,0.0397651 344.496,2.44092,0.0405135 346.218,2.58107,0.0416895 347.95,2.59402,0.0418574 349.689,2.49421,0.0410515 351.438,2.35626,0.0399897 353.195,2.41252,0.0405051 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