data_I # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_intensity_meas _refln_intensity_calc _refln_intensity_sigma _refln_observed_status -1 2 0 97035.5 84184.2 3171.8 o 0 2 0 1031.3 939.8 21.5 o -1 3 0 101.5 108.7 1.9 o 0 3 0 64882.4 60775.0 1521.0 o -2 4 0 75900.4 70143.3 1632.6 o -1 4 0 15.7 10.9 1.6 o 0 4 0 1090.7 1065.2 55.6 o -2 5 0 76.7 68.8 2.8 o -1 5 0 33640.3 32404.8 712.8 o 0 5 0 147.5 129.1 7.0 o -3 6 0 26668.1 25315.2 770.0 o -2 6 0 365.8 365.9 10.1 o -1 6 0 480.2 510.3 14.1 o 0 6 0 22253.4 20859.0 694.8 o -3 7 0 335.9 366.5 9.7 o -2 7 0 14643.8 14455.9 459.2 o -1 7 0 11.4 2.5 3.1 o 0 7 0 294.0 287.8 17.1 o -4 8 0 14255.8 13440.3 500.8 o -3 8 0 58.3 49.2 5.0 o -2 8 0 592.7 629.0 29.6 o -1 8 0 8634.3 8754.7 278.3 o 0 8 0 60.9 38.7 9.0 o -4 9 0 67.9 69.4 8.5 o -3 9 0 7095.6 7147.1 282.8 o -2 9 0 57.0 40.2 9.6 o -1 9 0 294.0 319.5 19.0 o -5 10 0 6012.6 5996.9 242.4 o -4 10 0 127.9 91.9 14.1 o 0 1 1 74.6 62.9 1.5 o 0 2 1 745.1 670.7 11.1 o -1 3 1 91.0 86.0 1.2 o 0 3 1 882.8 13.6 44.1 o -1 4 1 28.4 25.8 1.4 o 0 4 1 277.0 267.2 11.4 o -2 5 1 3.7 0.6 0.9 o -1 5 1 654.1 0.1 47.4 o 0 5 1 215.8 223.8 6.5 o -2 6 1 190.3 208.4 4.3 o -1 6 1 123.1 133.9 3.8 o -3 7 1 157.4 169.2 4.1 o -1 7 1 41.2 58.2 2.9 o 0 7 1 5.1 1.0 3.7 < -3 8 1 91.2 106.0 4.1 o -2 8 1 108.5 93.5 7.8 o -1 8 1 301.7 3.4 18.2 o 0 8 1 80.8 80.9 7.1 o -4 9 1 0.3 7.2 3.8 < -2 9 1 128.3 121.5 9.2 o -1 9 1 81.6 74.4 7.7 o -4 10 1 37.2 46.2 6.8 o 0 0 2 -0.6 2067.3 0.5 < 0 1 2 50.9 43.6 1.0 o -1 2 2 363.7 244.1 6.1 o 0 2 2 59.1 24.5 1.5 o -1 3 2 26.9 15.6 0.8 o 0 3 2 947.9 741.6 14.6 o -2 4 2 2443.6 2159.7 37.0 o -1 4 2 5.7 0.4 0.9 o 0 4 2 85.2 75.6 3.8 o -2 5 2 85.4 86.8 2.2 o -1 5 2 1504.9 1428.8 24.5 o 0 5 2 39.0 34.1 2.7 o -3 6 2 1656.9 1641.0 36.8 o -2 6 2 7.2 2.3 1.4 o -1 6 2 115.9 110.1 3.7 o 0 6 2 1940.4 1809.9 47.3 o -3 7 2 29.7 20.3 2.2 o -2 7 2 1261.8 1333.0 26.4 o -1 7 2 -0.3 0.5 1.9 < 0 7 2 256.3 251.5 11.1 o -4 8 2 1436.3 1477.6 38.5 o -3 8 2 6.0 2.8 2.4 < -2 8 2 137.5 116.1 8.8 o -1 8 2 1247.2 1357.4 34.7 o 0 8 2 4.1 5.0 4.3 < -4 9 2 67.6 60.8 6.0 o -3 9 2 981.6 1093.8 32.5 o -2 9 2 14.4 13.9 5.2 < -1 9 2 96.0 101.0 8.2 o -5 10 2 961.9 1057.0 32.9 o -4 10 2 10.1 2.6 5.6 < 0 1 3 303.5 288.1 4.1 o 0 2 3 459.5 420.6 6.5 o -1 3 3 190.7 194.6 2.2 o 0 3 3 30.8 2.4 2.2 o -1 4 3 43.3 30.6 1.6 o 0 4 3 95.2 85.1 4.2 o -2 5 3 8.7 4.1 1.1 o -1 5 3 62.1 13.6 3.2 o 0 5 3 5.3 0.2 1.8 < -2 6 3 5.8 0.0 1.6 o -1 6 3 7.6 7.5 1.6 o 0 6 3 105.3 36.0 6.4 o -3 7 3 -0.1 0.1 1.5 < -2 7 3 56.2 16.5 3.3 o -1 7 3 41.3 42.6 2.9 o 0 7 3 10.4 4.1 3.9 < -3 8 3 27.1 18.0 3.3 o -2 8 3 9.5 0.1 4.3 < -1 8 3 85.1 41.3 6.2 o 0 8 3 64.8 59.3 6.6 o -4 9 3 20.7 16.8 4.6 o -3 9 3 53.0 14.2 6.5 o -2 9 3 34.5 33.5 6.0 o -1 9 3 3.6 0.5 4.7 < -4 10 3 27.1 21.0 6.5 o 0 0 4 315.8 630.9 14.1 o 0 1 4 303.6 354.8 4.3 o -1 2 4 13.1 14.3 0.8 o 0 2 4 705.6 695.4 9.8 o -1 3 4 172.1 178.6 2.3 o 0 3 4 143.7 170.7 3.1 o -2 4 4 690.1 736.6 11.4 o -1 4 4 104.4 110.3 2.5 o 0 4 4 129.2 122.8 4.9 o -2 5 4 37.5 33.7 1.5 o -1 5 4 310.1 333.8 6.1 o 0 5 4 158.0 171.3 4.6 o -3 6 4 331.3 348.3 8.8 o -2 6 4 154.5 166.8 3.8 o -1 6 4 7.3 1.6 1.4 o 0 6 4 631.4 602.8 17.1 o -3 7 4 25.1 27.4 2.1 o -2 7 4 354.6 361.9 8.5 o -1 7 4 67.1 68.2 3.5 o 0 7 4 9.0 0.9 3.8 < -4 8 4 501.4 490.9 15.7 o -3 8 4 31.6 26.9 3.4 o -2 8 4 17.8 14.7 4.8 o -1 8 4 297.8 294.6 11.5 o 0 8 4 88.3 117.0 7.3 o -4 9 4 14.9 7.2 4.3 o -3 9 4 275.0 264.5 12.9 o -2 9 4 69.5 73.7 7.3 o -1 9 4 1.9 1.2 4.6 < -5 10 4 208.6 200.5 12.6 o -4 10 4 52.2 55.3 7.5 o 0 1 5 1829.1 1927.6 21.5 o 0 2 5 2909.0 2748.1 36.4 o -1 3 5 897.7 903.2 9.4 o 0 3 5 59.4 41.7 2.0 o -1 4 5 453.2 432.4 8.2 o 0 4 5 754.5 706.8 21.2 o -2 5 5 253.9 240.9 4.3 o -1 5 5 78.9 88.6 2.6 o 0 5 5 63.0 26.8 2.9 o -2 6 5 148.3 97.1 3.9 o -1 6 5 122.1 116.0 3.3 o 0 6 5 84.9 81.4 4.8 o -3 7 5 29.4 21.9 2.3 o -2 7 5 6.3 0.4 2.1 o -1 7 5 25.6 2.4 2.6 o 0 7 5 35.7 20.0 4.9 o -3 8 5 19.5 0.3 3.2 o -2 8 5 42.1 24.7 5.7 o -1 8 5 105.1 104.1 6.9 o 0 8 5 52.3 26.4 6.3 o -4 9 5 15.7 0.2 4.2 o -3 9 5 71.3 62.0 7.4 o -2 9 5 54.6 34.7 6.8 o -1 9 5 13.4 8.5 5.2 < -4 10 5 15.6 3.8 6.0 < 0 0 6 6.1 1.5 3.5 < 0 1 6 1346.7 1388.5 16.0 o -1 2 6 72.2 57.0 1.5 o 0 2 6 7030.2 6393.7 83.1 o -1 3 6 674.8 623.3 7.4 o 0 3 6 20.4 8.8 1.3 o -2 4 6 8.7 8.8 1.1 o -1 4 6 1026.8 1000.0 18.2 o 0 4 6 2456.7 2327.5 64.2 o -2 5 6 942.9 945.9 13.6 o -1 5 6 5.7 2.4 1.2 o 0 5 6 401.7 370.4 9.5 o -3 6 6 5.0 3.5 2.0 < -2 6 6 1463.4 1440.6 25.9 o -1 6 6 512.8 525.8 9.6 o 0 6 6 13.1 12.6 3.0 o -3 7 6 315.1 330.4 7.0 o -2 7 6 2.6 0.6 2.1 < -1 7 6 555.5 610.0 11.7 o 0 7 6 448.5 462.7 16.4 o -4 8 6 13.1 13.4 3.5 o -3 8 6 467.8 514.0 12.3 o -2 8 6 631.3 612.6 22.1 o -1 8 6 1.3 0.3 3.6 < 0 8 6 520.1 539.0 19.1 o -4 9 6 367.0 390.8 12.8 o -3 9 6 3.4 0.2 4.8 < -2 9 6 163.2 165.5 10.3 o -1 9 6 212.5 221.7 11.2 o -5 10 6 -1.3 0.9 5.3 < -4 10 6 368.4 381.2 16.4 o 0 1 7 472.4 306.8 6.2 o 0 2 7 876.8 216.2 12.6 o -1 3 7 252.1 49.1 3.6 o 0 3 7 235.5 245.0 5.3 o -1 4 7 233.3 32.2 5.6 o 0 4 7 629.5 205.7 14.4 o -2 5 7 250.6 59.3 4.9 o -1 5 7 17.7 5.5 1.2 o 0 5 7 273.0 185.4 7.0 o -2 6 7 640.5 460.5 12.1 o -1 6 7 282.3 157.8 5.9 o 0 6 7 53.6 62.8 3.6 o -3 7 7 270.1 193.7 6.2 o -2 7 7 192.5 216.3 5.4 o -1 7 7 579.6 512.0 12.7 o 0 7 7 245.9 142.9 10.8 o -3 8 7 476.7 446.5 12.0 o -2 8 7 330.5 242.8 13.8 o -1 8 7 29.6 40.6 4.7 o 0 8 7 523.6 506.7 19.1 o -4 9 7 320.4 228.6 11.7 o -3 9 7 3.8 0.3 4.7 < -2 9 7 285.6 318.6 13.3 o -1 9 7 163.4 152.2 10.4 o -4 10 7 312.1 271.9 14.8 o 0 0 8 615.8 760.2 27.6 o 0 1 8 22545.8 23049.0 258.2 o -1 2 8 331.4 337.9 5.1 o 0 2 8 32144.6 30496.7 373.7 o -1 3 8 13743.3 13317.0 151.9 o 0 3 8 405.5 394.1 8.1 o -2 4 8 625.9 593.5 11.8 o -1 4 8 11823.8 11327.1 213.1 o 0 4 8 13322.4 12869.6 259.8 o -2 5 8 8864.5 8578.9 116.7 o -1 5 8 358.1 339.8 6.3 o 0 5 8 5839.1 5705.8 119.4 o -3 6 8 303.6 280.5 8.6 o -2 6 8 8057.1 7887.9 136.6 o -1 6 8 4542.3 4547.7 74.2 o 0 6 8 422.4 403.1 10.8 o -3 7 8 3520.5 3456.7 59.9 o -2 7 8 292.4 279.1 7.3 o -1 7 8 3859.2 4052.5 70.1 o 0 7 8 2648.0 2612.3 76.6 o -4 8 8 322.4 309.5 11.3 o -3 8 8 3146.3 3184.3 69.2 o -2 8 8 2887.9 2848.2 78.9 o -1 8 8 168.4 148.7 8.4 o 0 8 8 2593.0 2634.0 75.9 o -4 9 8 2048.6 2111.9 50.6 o -3 9 8 176.4 143.5 10.6 o -2 9 8 1499.7 1566.3 46.8 o -1 9 8 1150.6 1193.7 37.2 o -5 10 8 92.8 77.1 9.0 o -4 10 8 1686.7 1759.3 74.6 o 0 1 9 17195.2 17735.9 206.3 o 0 2 9 17336.0 17196.5 201.4 o -1 3 9 11000.3 10961.7 121.9 o 0 3 9 50.3 33.3 2.4 o -1 4 9 7389.3 7154.7 129.3 o 0 4 9 7326.9 7194.1 138.3 o -2 5 9 5171.4 4993.2 69.0 o -1 5 9 61.4 59.6 2.1 o 0 5 9 3333.0 3112.9 73.6 o -2 6 9 3435.9 3238.5 55.3 o -1 6 9 2965.6 2969.6 47.9 o 0 6 9 62.0 51.6 3.5 o -3 7 9 2101.9 2031.4 37.5 o -2 7 9 6.2 0.3 2.1 < -1 7 9 1437.9 1305.3 25.7 o 0 7 9 1500.5 1406.1 45.3 o -3 8 9 1284.9 1215.4 28.6 o -2 8 9 1473.3 1374.3 39.5 o -1 8 9 79.0 68.9 6.2 o 0 8 9 705.9 593.1 24.2 o -4 9 9 920.1 864.7 25.3 o -3 9 9 45.0 43.4 6.4 o -2 9 9 552.2 514.0 20.7 o -1 9 9 825.4 790.5 28.2 o 0 0 10 120.4 76.0 9.0 o 0 1 10 219.8 201.7 3.1 o -1 2 10 54.4 34.9 1.5 o 0 2 10 72.0 32.0 1.7 o -1 3 10 295.9 290.2 3.8 o 0 3 10 45.1 28.9 2.6 o -2 4 10 364.6 362.0 8.6 o -1 4 10 278.8 289.8 6.1 o 0 4 10 344.7 322.5 7.6 o -2 5 10 459.7 468.6 7.0 o -1 5 10 185.2 187.8 3.8 o 0 5 10 167.5 145.6 5.1 o -3 6 10 219.0 222.6 7.3 o -2 6 10 166.4 146.4 3.9 o -1 6 10 598.7 649.4 11.7 o 0 6 10 459.8 466.7 11.6 o -3 7 10 373.0 380.3 8.6 o -2 7 10 251.4 272.5 6.9 o -1 7 10 171.1 164.5 4.5 o 0 7 10 546.3 620.0 19.1 o -4 8 10 385.8 392.4 13.9 o -3 8 10 242.2 247.8 7.4 o -2 8 10 346.2 373.0 11.6 o -1 8 10 218.4 234.8 9.5 o 0 8 10 71.2 44.9 6.9 o -4 9 10 290.2 305.6 10.3 o -3 9 10 191.8 209.2 10.6 o -2 9 10 86.6 79.7 7.9 o -1 9 10 383.1 439.7 16.0 o -5 10 10 152.1 151.9 12.8 o 0 1 11 278.6 289.0 4.0 o 0 2 11 474.1 473.3 6.4 o -1 3 11 241.3 259.3 3.4 o 0 3 11 21.5 0.2 2.2 o -1 4 11 96.4 80.3 3.1 o 0 4 11 137.4 125.2 4.1 o -2 5 11 34.7 18.8 1.7 o -1 5 11 21.7 3.1 1.5 o 0 5 11 32.5 22.5 2.6 o -2 6 11 26.5 12.9 1.8 o -1 6 11 30.1 20.9 2.3 o 0 6 11 17.0 8.9 2.4 o -3 7 11 13.9 8.9 2.5 o -2 7 11 17.3 4.0 2.6 o -1 7 11 6.6 4.0 1.8 o 0 7 11 9.1 0.5 3.9 < -3 8 11 6.7 0.2 2.9 < -2 8 11 18.4 2.6 3.0 o -1 8 11 13.5 11.7 4.1 o 0 8 11 12.6 8.8 4.7 < -4 9 11 9.3 2.6 4.0 < -3 9 11 10.1 4.2 4.9 < -2 9 11 2.0 1.8 4.8 < -1 9 11 9.4 1.6 5.1 < 0 0 12 6892.4 7143.6 270.2 o 0 1 12 155.1 71.8 2.5 o -1 2 12 8814.1 8905.3 107.9 o 0 2 12 113.0 39.0 2.2 o -1 3 12 80.1 10.9 1.9 o 0 3 12 4482.4 4562.8 95.2 o -2 4 12 1939.1 1907.0 49.4 o -1 4 12 17.0 1.5 1.8 o 0 4 12 151.8 110.8 4.4 o -2 5 12 133.4 141.3 3.2 o -1 5 12 1395.1 1407.7 21.5 o 0 5 12 36.0 5.8 2.9 o -3 6 12 835.9 781.0 21.8 o -2 6 12 38.7 23.2 2.2 o -1 6 12 220.6 219.8 5.2 o 0 6 12 287.0 313.3 8.1 o -3 7 12 101.6 78.6 4.0 o -2 7 12 463.4 461.1 11.5 o -1 7 12 23.8 10.1 2.3 o 0 7 12 419.4 431.1 15.7 o -4 8 12 186.3 184.7 9.0 o -3 8 12 51.3 32.3 4.0 o -2 8 12 242.6 235.4 8.1 o -1 8 12 109.4 105.7 7.2 o 0 8 12 23.9 1.2 5.2 o -4 9 12 153.1 142.8 8.4 o -3 9 12 146.7 130.4 9.9 o -2 9 12 14.3 0.1 5.4 < -1 9 12 209.2 203.2 11.4 o 0 1 13 7528.1 8350.2 87.4 o 0 2 13 10466.8 10726.0 140.3 o -1 3 13 6706.0 6754.5 79.5 o 0 3 13 13.8 3.1 2.2 o -1 4 13 3955.5 3973.1 63.1 o 0 4 13 4757.6 4726.9 90.6 o -2 5 13 2417.4 2356.4 37.2 o -1 5 13 11.6 4.5 1.3 o 0 5 13 2855.7 2853.3 57.2 o -2 6 13 2674.8 2533.1 41.5 o -1 6 13 2268.0 2241.1 37.1 o 0 6 13 16.4 1.9 2.5 o -3 7 13 1983.9 1912.1 37.4 o -2 7 13 7.7 0.6 2.2 o -1 7 13 1055.3 1086.6 20.1 o 0 7 13 718.3 735.1 22.0 o -3 8 13 1115.8 1165.9 26.9 o -2 8 13 1208.6 1184.8 29.8 o -1 8 13 6.1 1.9 3.8 < 0 8 13 788.5 749.8 26.6 o -4 9 13 578.0 582.8 17.6 o -3 9 13 6.4 1.8 4.9 < -2 9 13 912.3 864.9 30.8 o -1 9 13 841.8 820.3 28.8 o 0 0 14 26866.5 24667.1 894.5 o 0 1 14 410.2 412.5 5.5 o -1 2 14 4187.6 4341.8 57.8 o 0 2 14 2282.5 2379.4 32.2 o -1 3 14 1056.6 1067.4 13.4 o 0 3 14 2221.2 2173.5 50.6 o -2 4 14 6286.2 6106.8 167.3 o -1 4 14 535.8 521.0 9.3 o 0 4 14 2102.4 2109.8 41.1 o -2 5 14 626.8 581.7 10.9 o -1 5 14 925.3 964.9 14.8 o 0 5 14 642.4 631.8 14.3 o -3 6 14 735.6 779.1 22.2 o -2 6 14 1010.6 968.9 17.0 o -1 6 14 1128.9 1116.6 19.0 o 0 6 14 1080.7 1096.4 26.0 o -3 7 14 913.4 881.2 17.9 o -2 7 14 218.4 238.6 6.0 o -1 7 14 218.5 173.1 6.0 o 0 7 14 696.2 683.9 19.8 o -4 8 14 626.2 589.7 20.5 o -3 8 14 331.0 310.3 10.0 o -2 8 14 1138.2 1134.8 29.7 o -1 8 14 144.4 171.3 7.4 o 0 8 14 337.2 266.0 14.3 o -4 9 14 334.5 319.5 12.1 o -3 9 14 83.7 97.7 7.9 o -2 9 14 311.0 266.1 14.1 o -1 9 14 698.5 680.4 35.3 o 0 1 15 976.6 868.1 12.2 o 0 2 15 2639.7 2624.6 42.0 o -1 3 15 1609.7 1463.3 22.6 o 0 3 15 61.9 17.3 4.1 o -1 4 15 1179.0 1166.8 18.9 o 0 4 15 1593.8 1666.5 31.7 o -2 5 15 728.3 725.3 12.5 o -1 5 15 41.6 2.3 2.1 o 0 5 15 1483.3 1548.0 32.0 o -2 6 15 1412.2 1439.2 23.7 o -1 6 15 1027.6 1067.6 16.6 o 0 6 15 72.7 23.1 4.6 o -3 7 15 1098.9 1123.0 21.8 o -2 7 15 53.6 28.4 3.0 o -1 7 15 767.8 888.7 16.3 o 0 7 15 354.9 391.3 11.5 o -3 8 15 801.2 918.1 21.4 o -2 8 15 709.8 760.9 18.9 o -1 8 15 51.9 20.5 4.9 o 0 8 15 721.0 797.4 24.9 o -4 9 15 359.9 430.7 12.8 o -3 9 15 24.6 3.3 5.6 o -2 9 15 772.1 848.6 27.0 o 0 0 16 5416.0 4754.9 165.8 o 0 1 16 8356.3 9011.9 110.6 o -1 2 16 2380.5 2326.6 33.8 o 0 2 16 6825.1 7172.9 124.2 o -1 3 16 6286.4 5987.3 99.8 o 0 3 16 2608.1 2630.6 70.6 o -2 4 16 4107.6 4079.7 115.0 o -1 4 16 4155.2 4097.2 63.8 o 0 4 16 2825.6 2857.1 59.0 o -2 5 16 2512.5 2395.5 39.5 o -1 5 16 2669.2 2823.1 43.2 o 0 5 16 2763.6 2896.5 60.5 o -3 6 16 2685.3 2789.0 77.3 o -2 6 16 2135.9 2064.1 35.1 o -1 6 16 1404.5 1371.2 24.2 o 0 6 16 2497.3 2644.4 62.4 o -3 7 16 1439.3 1379.5 27.9 o -2 7 16 1896.9 2046.8 34.8 o -1 7 16 1307.9 1323.4 26.4 o 0 7 16 494.9 468.3 15.1 o -4 8 16 1797.3 1994.0 63.0 o -3 8 16 1065.4 1024.8 27.4 o -2 8 16 591.2 591.1 17.5 o -1 8 16 1477.0 1688.9 37.1 o 0 8 16 809.4 825.4 27.3 o -4 9 16 512.9 505.9 16.2 o -3 9 16 1135.7 1356.1 37.0 o -2 9 16 818.2 864.3 28.3 o 0 1 17 7640.4 8896.7 107.7 o 0 2 17 6795.6 7537.5 146.1 o -1 3 17 5681.0 5805.4 92.8 o 0 3 17 24.5 4.9 3.2 o -1 4 17 3442.1 3429.3 51.4 o 0 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