data_I loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 0 3 o 2688.813 2533.475 -142.02 12.40280 18.84 0 0 6 o 2568.894 3012.763 -160.76 6.20140 4.30 0 0 9 o 136053.70 104534.84 171.00 4.13427 100.00 1 0 1 o 31337.387 26010.789 48.01 3.34246 57.04 1 0 -2 o 25995.240 29254.563 59.19 3.30272 46.48 1 0 4 o 51617.97 61249.64 -120.39 3.15686 79.03 0 0 12 o 2874.061 650.791 79.38 3.10070 1.30 1 0 -5 o 8349.986 10123.270 79.79 3.05931 11.21 1 0 7 o 3928.542 3806.244 77.56 2.83775 5.44 1 0 -8 o 56377.91 57104.81 -121.08 2.72151 62.38 1 0 10 o 6959.171 6385.351 -148.12 2.49209 6.69 0 0 15 o 18371.170 13393.269 -13.61 2.48056 4.91 1 0 -11 o 18936.902 22363.295 -109.67 2.38240 15.94 1 0 13 o 75308.08 75940.48 48.59 2.17775 50.33 1 0 -14 o 16856.727 18050.109 -97.61 2.08352 10.52 0 0 18 o 29305.611 19660.527 -23.25 2.06713 5.35 1 1 0 o 152762.19 137190.44 0.00 1.93760 94.69 1 1 3 o 1390.035 1221.954 -139.55 1.91438 1.79 1 0 16 o 11030.153 8899.425 -111.34 1.91146 5.89 1 1 6 o 2054.977 1724.204 -161.46 1.84943 2.27 1 0 -17 o 98506.77 103916.06 70.56 1.83330 46.56 0 0 21 o 38441.28 24774.754 168.90 1.77183 5.18 1 1 9 o 57974.44 55073.81 170.80 1.75447 55.55 1 0 19 o 16258.779 15450.578 -125.80 1.69143 6.70 2 0 -1 o 15117.184 13945.314 -47.47 1.67631 7.02 2 0 2 o 17041.400 15321.065 -59.04 1.67123 7.94 2 0 -4 o 35452.27 35320.57 120.29 1.65136 15.33 1 1 12 o 225.320 473.733 58.47 1.64316 0.28 2 0 5 o 8194.890 6745.252 -78.82 1.63692 3.35 1 0 -20 o 714.048 1414.314 88.53 1.62713 0.27 2 0 -7 o 648.162 1747.798 -80.93 1.60017 0.40 2 0 8 o 27781.779 32655.816 121.20 1.57843 11.00 0 0 24 o -123.059 359.452 54.88 1.55035 0.00 2 0 -10 o 2967.188 3548.188 149.31 1.52966 1.20 1 1 15 o 6896.208 7847.858 -13.38 1.52698 4.85 1 0 22 o 26739.236 24598.457 -140.42 1.51034 8.11 2 0 11 o 11159.933 13022.573 109.51 1.50321 4.06 1 0 -23 o 4916.231 4020.765 89.36 1.45728 1.53 2 0 -13 o 42816.05 45927.18 -48.60 1.44758 13.71 2 0 14 o 11445.409 10992.538 97.20 1.41888 3.61 1 1 18 o 11597.864 12075.210 -23.56 1.41367 6.64 0 0 27 o 9381.473 6627.430 136.76 1.37809 0.80 2 0 -16 o 5189.273 5611.165 110.86 1.36076 1.56 1 0 25 o 7125.011 7757.816 60.21 1.36054 1.79 2 0 17 o 75573.55 65853.36 -70.50 1.33169 20.51 1 0 -26 o 32948.789 34564.539 -99.03 1.31640 7.64 1 1 21 o 15784.003 15597.866 169.14 1.30756 7.65 2 0 -19 o 9360.166 10238.449 125.62 1.27422 2.40 2 1 1 o 10288.550 9054.799 47.07 1.26772 5.54 2 1 -2 o 11009.083 10075.646 58.97 1.26552 5.96 2 1 4 o 26890.156 22572.561 -120.16 1.25683 13.68 2 1 -5 o 4973.420 4133.723 79.85 1.25042 2.40 2 0 20 o 983.423 932.791 -89.00 1.24605 0.24 0 0 30 o 72096.43 48729.52 -21.26 1.24028 4.92 1 0 28 o 14888.633 15405.281 42.97 1.23554 3.21 2 1 7 o 1344.363 1265.055 80.46 1.23381 0.80 2 1 -8 o 22133.893 21416.957 -121.47 1.22376 10.79 1 1 24 o -113.672 271.416 48.84 1.21054 0.00 2 1 10 o 1828.254 2461.160 -149.62 1.20061 0.95 1 0 -29 o 336.695 756.424 -62.98 1.19845 0.11 2 0 -22 o 14110.080 15926.245 140.60 1.19120 2.84 2 1 -11 o 7171.327 8857.816 -109.46 1.18770 3.37 2 0 23 o 2017.237 2861.279 -89.51 1.16465 0.46 2 1 13 o 30692.152 30623.117 48.54 1.15968 13.03 2 1 -14 o 7670.585 7524.930 -96.81 1.14476 3.27 1 0 31 o 22856.633 20836.420 32.86 1.13017 4.03 0 0 33 o 885.430 650.402 -149.30 1.12753 0.06 1 1 27 o 4402.668 4558.635 135.98 1.12302 1.64 3 0 0 o 68517.32 59198.40 0.00 1.11868 14.50 3 0 3 o 607.889 550.056 -137.12 1.11415 0.14 3 0 -3 o 605.898 550.056 137.12 1.11415 0.14 2 1 16 o 4388.789 4003.109 -110.55 1.11358 1.83 2 0 -25 o 5606.663 5234.316 -61.07 1.11346 1.02 3 0 6 o 1519.477 748.829 -159.67 1.10091 0.31 3 0 -6 o 1474.487 748.830 159.67 1.10091 0.30 1 0 -32 o 2117.355 1865.244 89.35 1.09869 0.35 2 1 -17 o 46759.58 45835.63 70.42 1.09748 17.95 2 0 26 o 23915.121 23510.240 98.99 1.08887 4.07 3 0 -9 o 25363.025 24144.432 -170.61 1.07984 4.82 3 0 9 o 25391.494 24144.432 170.61 1.07984 4.83 2 1 19 o 6450.743 7411.127 -125.45 1.06464 2.43 3 0 12 o 823.619 213.991 76.77 1.05229 0.17 3 0 -12 o 671.925 213.991 -76.77 1.05229 0.14 2 1 -20 o 728.125 658.393 89.42 1.04804 0.26 1 1 30 o 33685.090 34336.836 -21.20 1.04460 10.53 2 0 -28 o 10457.849 11131.672 -43.08 1.04176 1.72 1 0 34 o 20200.852 20665.133 -142.25 1.04044 3.00 0 0 36 o 5598.418 2699.266 179.54 1.03357 0.28 3 0 15 o 2585.466 3715.210 -13.42 1.01977 0.44 2 0 29 o 376.613 611.710 64.24 1.01924 0.08 3 0 -15 o 2601.615 3715.210 13.42 1.01977 0.44 2 1 22 o 9516.595 10959.272 -140.80 1.01477 2.89 1 0 -35 o 4455.033 5951.441 99.28 1.01346 0.57 2 1 -23 o 1024.352 2155.958 89.68 0.99820 0.38 3 0 18 o 3688.403 5535.648 -24.61 0.98385 0.54 3 0 -18 o 4210.106 5535.648 24.61 0.98385 0.62 1 1 33 o 355.948 509.435 -150.27 0.97453 0.13 2 0 -31 o 13202.763 15098.659 -32.72 0.97624 1.85 2 2 0 o 49579.72 43148.71 0.00 0.96880 7.97 2 2 3 o 429.140 409.299 -135.94 0.96586 0.15 2 1 25 o 3818.032 3735.705 61.90 0.96541 1.09 1 0 37 o 853.732 817.041 -148.27 0.96331 0.10 2 2 6 o 666.269 539.588 -158.62 0.95719 0.21 2 0 32 o 1885.212 1350.084 -89.30 0.95573 0.25 0 0 39 o 26405.885 18752.430 153.52 0.95406 1.07 2 1 -26 o 15597.399 16850.984 -98.94 0.94925 4.19 3 0 21 o 7469.195 7485.046 169.68 0.94592 1.02 2 2 9 o 18058.182 17466.961 170.50 0.94325 5.32 3 0 -21 o 7441.178 7485.046 -169.68 0.94592 1.02 1 0 -38 o 4873.823 4788.919 -106.31 0.93998 0.59 3 1 -1 o 5213.673 4661.824 -46.22 0.93050 1.55 3 1 2 o 5699.253 5325.493 -58.82 0.92963 1.71 3 1 -4 o 13424.957 11074.384 119.87 0.92617 3.79 2 2 12 o 206.885 168.389 84.24 0.92472 0.09 3 1 5 o 2061.930 1821.792 -82.46 0.92360 0.56 2 1 28 o 8105.074 8335.998 43.18 0.91755 2.16 3 1 -7 o 724.784 801.692 -79.51 0.91684 0.26 2 0 -34 o 13748.054 15180.194 142.10 0.91665 1.67 3 1 8 o 11483.473 11021.647 122.03 0.91270 3.21 1 1 36 o 2136.959 2084.125 179.76 0.91194 0.57 3 0 24 o 110.372 188.500 39.16 0.90717 0.03 3 0 -24 o 112.312 188.500 -39.16 0.90717 0.03 3 1 -10 o 1386.802 1397.223 150.31 0.90297 0.42 2 2 15 o 2606.494 2748.574 -13.40 0.90242 0.70 2 1 -29 o 424.246 496.299 -64.66 0.90205 0.14 2 0 35 o 3768.770 4233.050 -99.92 0.89804 0.41 3 1 11 o 4064.521 4806.778 109.34 0.89744 1.14 1 0 40 o 6436.283 7553.238 -154.52 0.89641 0.76 0 0 42 o 390.768 350.698 90.82 0.88591 0.02 3 1 -13 o 16444.881 15974.200 -48.44 0.88516 4.23 3 1 14 o 4469.908 4084.563 96.00 0.87848 1.17 2 2 18 o 4447.233 4051.612 -25.10 0.87724 1.08 1 0 -41 o 397.109 404.575 -72.80 0.87606 0.04 2 1 31 o 11692.493 11314.302 32.55 0.87183 2.72 3 0 27 o 2655.382 2490.999 134.56 0.86853 0.32 3 0 -27 o 2650.981 2490.997 -134.56 0.86853 0.32 3 1 -16 o 2384.820 2290.150 109.77 0.86415 0.63 2 0 -37 o 659.700 599.731 148.45 0.86259 0.07 2 1 -32 o 1051.642 1012.571 89.07 0.85713 0.23 3 1 17 o 24650.246 25223.387 -70.27 0.85656 6.05 1 1 39 o 13626.840 13983.664 153.56 0.85593 2.80 2 2 21 o 6679.344 5559.518 169.96 0.85003 1.52 2 0 38 o 4985.214 3595.069 106.81 0.84571 0.51 3 1 -19 o 4078.826 4267.976 125.05 0.84067 1.01 4 0 1 o 3930.084 3529.771 45.79 0.83879 0.48 4 0 -2 o 4257.214 4054.542 58.74 0.83816 0.53 1 0 43 o 9988.139 9536.156 24.21 0.83791 0.94 4 0 4 o 10680.839 8282.270 -119.74 0.83561 1.24 4 0 -5 o 1554.669 1333.791 83.42 0.83372 0.17 3 1 20 o 395.022 371.990 -90.73 0.83242 0.09 3 0 30 o 18890.969 19130.857 -21.07 0.83070 2.03 3 0 -30 o 18874.660 19130.857 21.07 0.83070 2.03 4 0 7 o 587.385 635.290 79.72 0.82875 0.09 2 1 34 o 10731.936 11495.626 -141.94 0.82860 2.22 0 0 45 o 4652.992 4151.171 -26.11 0.82685 0.15 4 0 -8 o 8189.759 8344.650 -122.28 0.82568 0.95 2 2 24 o 197.554 153.295 37.85 0.82158 0.06 1 0 -44 o 4374.223 4920.894 -66.45 0.82001 0.41 4 0 10 o 1250.175 1083.608 -150.85 0.81846 0.16 3 1 -22 o 4840.352 5971.005 141.20 0.81546 1.00 2 1 -35 o 2498.747 3162.959 100.36 0.81478 0.46 4 0 -11 o 2874.390 3684.250 -109.25 0.81433 0.34 2 0 -40 o 4966.855 5801.325 154.79 0.81357 0.50 3 1 23 o 1281.713 1285.768 -90.49 0.80679 0.30 1 1 42 o 277.386 285.407 90.98 0.80569 0.07 4 0 13 o 11411.396 12153.209 48.42 0.80513 1.23 4 0 -14 o 2386.202 3136.760 -95.58 0.80009 0.27 2 0 41 o 117.396 304.091 72.65 0.79826 0.01 3 0 33 o 0.380 322.308 -150.24 0.79413 0.01 3 0 -33 o 1.619 322.308 150.24 0.79413 0.01 2 2 27 o 1160.069 1922.711 133.99 0.79255 0.25 4 0 16 o 1044.077 1779.066 -109.31 0.78921 0.13 3 1 -25 o 1321.953 2137.909 -63.15 0.78917 0.27 2 1 37 o 236.172 458.110 -148.78 0.78803 0.04 1 0 46 o 274.266 475.962 -18.51 0.78636 0.03 4 0 -17 o 16119.285 19422.383 70.20 0.78342 1.69 3 1 26 o 8556.787 9637.751 98.87 0.78027 1.64 0 0 48 o 12956.596 11310.224 -35.75 0.77517 0.36 2 1 -38 o 3158.396 2774.972 -107.23 0.77510 0.57 4 0 19 o 3647.229 3317.333 -124.83 0.77121 0.38 1 0 -47 o 16848.434 16245.810 89.12 0.77052 1.44 3 2 1 o 2846.779 2733.338 45.37 0.76976 0.60 3 2 -2 o 3138.665 3143.439 58.65 0.76927 0.66 2 0 -43 o 7215.942 7343.162 -24.26 0.76908 0.60 3 2 4 o 7896.857 6382.870 -119.61 0.76730 1.56 3 2 -5 o 1203.108 1026.783 84.08 0.76584 0.23 4 0 -20 o 323.634 291.370 91.55 0.76483 0.03 2 2 30 o 14738.974 14806.589 -21.01 0.76349 2.75 3 1 -28 o 4483.232 4956.289 -43.28 0.76238 0.88 3 2 7 o 454.905 499.656 80.25 0.76197 0.12 1 1 45 o 3261.603 3230.837 -25.92 0.76050 0.57 3 2 -8 o 6423.960 6467.134 -122.50 0.75959 1.28 3 0 -36 o 1221.156 1279.401 179.50 0.75915 0.12 3 0 36 o 1222.866 1279.401 -179.50 0.75915 0.12 2 0 44 o 3328.994 3827.846 66.12 0.75517 0.28 3 2 10 o 870.077 848.966 -151.47 0.75395 0.19 3 1 29 o 298.692 319.835 63.56 0.75342 0.07 4 0 22 o 3932.743 4631.138 -141.37 0.75161 0.35 3 2 -11 o 2469.424 2869.839 -109.14 0.75072 0.50 2 1 40 o 3725.002 4513.381 -155.09 0.75012 0.67 4 0 -23 o 1082.892 1004.335 91.06 0.74480 0.11 3 2 13 o 11055.903 9461.030 48.40 0.74350 2.07 1 0 49 o 371.820 248.178 -148.96 0.74063 0.03 3 2 -14 o 3383.899 2451.594 -95.18 0.73952 0.65 2 1 -41 o 356.358 238.434 -72.78 0.73807 0.05 3 1 -31 o 7685.073 6776.210 -32.12 0.73554 1.35 2 2 33 o 298.131 257.673 -149.57 0.73481 0.06 4 1 0 o 23420.311 19484.545 0.00 0.73235 4.46 4 1 -3 o 247.949 202.231 132.80 0.73107 0.05 4 1 3 o 248.157 202.231 -132.80 0.73107 0.05 3 2 16 o 1680.773 1396.931 -108.82 0.73091 0.33 4 0 25 o 2000.882 1681.432 63.57 0.73088 0.18 0 0 51 o 3105.383 2131.523 143.86 0.72958 0.08 2 0 -46 o 571.546 380.135 19.03 0.72864 0.05 4 1 6 o 316.371 252.265 -156.34 0.72729 0.06 4 1 -6 o 316.362 252.265 156.34 0.72729 0.06 3 1 32 o 690.241 611.623 -88.24 0.72665 0.12 1 0 -50 o 371.038 338.557 107.82 0.72652 0.03 3 2 -17 o 16252.857 15198.131 70.14 0.72630 2.97 3 0 -39 o 8589.205 8401.915 -153.50 0.72592 0.68 3 0 39 o 8689.631 8401.915 153.50 0.72592 0.69 4 0 -26 o 8189.682 7557.317 -98.85 0.72379 0.69 4 1 9 o 9555.098 7904.396 170.17 0.72112 1.71 4 1 -9 o 9544.519 7904.396 -170.17 0.72112 1.71 1 1 48 o 9751.622 8868.346 -35.89 0.71971 1.46 3 2 19 o 2844.438 2604.628 -124.62 0.71654 0.53 2 0 47 o 12540.864 12747.381 -89.01 0.71598 0.96 2 1 43 o 5338.677 5779.650 24.35 0.71483 0.79 4 1 12 o 100.994 96.549 87.74 0.71274 0.03 4 1 -12 o 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0.68384 0.21 3 1 -37 o 255.779 289.595 149.64 0.68310 0.04 1 1 51 o 1471.284 1697.579 144.28 0.68278 0.19 2 1 46 o 221.341 306.232 -19.49 0.68201 0.04 4 0 -32 o 412.290 486.746 87.75 0.68038 0.03 2 0 50 o 230.384 272.836 -108.23 0.68027 0.02 2 2 39 o 5460.489 6682.968 153.44 0.67977 0.78 3 2 -26 o 5772.884 6020.416 -98.83 0.67803 0.87 4 1 -21 o 2511.598 2678.952 -170.69 0.67681 0.38 4 1 21 o 2517.201 2678.952 170.69 0.67681 0.38 3 1 38 o 1627.264 1747.495 107.87 0.67462 0.24 2 1 -47 o 9460.851 10110.450 88.93 0.67160 1.33 5 0 -1 o 1617.806 1714.684 -44.64 0.67110 0.13 5 0 2 o 1950.300 1960.287 -58.49 0.67077 0.16 5 0 -4 o 4250.701 4026.578 119.40 0.66947 0.33 5 0 5 o 722.601 670.917 -84.65 0.66849 0.05 3 2 28 o 2761.115 3086.415 43.31 0.66619 0.43 5 0 -7 o 278.978 305.636 -81.86 0.66592 0.03 4 0 34 o 5251.459 5582.745 -141.48 0.66584 0.38 3 0 -45 o 1780.275 2015.470 25.61 0.66493 0.13 3 0 45 o 1790.046 2015.470 -25.61 0.66493 0.13 5 0 8 o 3785.419 4071.558 122.84 0.66432 0.30 1 0 55 o 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3 3 0 o 12970.271 12289.345 0.00 0.64587 0.99 3 3 3 o 153.044 135.483 -131.33 0.64499 0.03 5 0 -16 o 985.166 881.053 107.92 0.64488 0.08 5 0 17 o 10167.125 9621.219 -70.04 0.64171 0.75 3 3 6 o 201.069 167.148 -155.55 0.64239 0.03 3 2 -32 o 418.048 391.413 87.26 0.64195 0.06 2 1 -50 o 233.437 222.916 108.60 0.64186 0.03 3 0 48 o 6067.057 5648.275 -36.18 0.63715 0.38 3 3 9 o 5931.266 5058.480 169.99 0.63813 0.85 3 0 -48 o 5960.259 5648.275 36.18 0.63715 0.37 4 0 -38 o 1493.743 1411.848 -108.09 0.63711 0.10 4 2 -1 o 1527.453 1378.751 -44.35 0.63414 0.23 4 2 2 o 1643.763 1567.970 -58.42 0.63386 0.25 5 0 -19 o 2059.859 1641.331 124.25 0.63495 0.15 3 3 12 o 100.706 67.716 82.88 0.63230 0.02 3 1 -43 o 3842.979 3739.220 -24.57 0.63375 0.47 4 2 5 o 690.553 558.082 -84.67 0.63194 0.09 5 0 20 o 178.262 152.468 -93.88 0.63137 0.01 4 2 -4 o 4024.457 3261.291 119.33 0.63276 0.56 4 1 30 o 7517.308 7438.720 -20.86 0.63062 1.02 3 2 34 o 4478.480 4489.187 -141.35 0.62970 0.60 4 1 -30 o 7463.936 7438.720 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1 -20 o 123.129 102.531 95.03 0.57342 0.02 3 3 30 o 5236.004 4887.064 -20.80 0.57285 0.61 2 1 58 o 417.167 415.816 28.43 0.57247 0.04 4 2 -28 o 1579.803 1593.607 -43.28 0.57238 0.19 2 0 -61 o 3234.682 2758.670 -2.94 0.57327 0.16 5 0 -34 o 2932.102 2958.785 141.15 0.57216 0.17 3 2 -44 o 1335.210 1305.325 -65.72 0.56931 0.15 4 2 29 o 142.431 102.152 57.23 0.56856 0.02 5 1 22 o 1585.032 1628.963 -141.85 0.56778 0.18 5 0 35 o 853.336 906.994 -100.52 0.56755 0.04 3 1 -52 o 1046.017 1130.524 170.23 0.56729 0.10 2 0 62 o 272.078 178.507 -98.59 0.56508 0.01 1 1 63 o 258.049 183.899 -102.98 0.56495 0.03 5 1 -23 o 445.708 313.832 93.87 0.56483 0.06 2 1 -59 o 958.886 658.819 -67.89 0.56471 0.10 4 1 -42 o 145.571 81.004 -83.61 0.56445 0.02 4 1 42 o 144.366 81.004 83.61 0.56445 0.02 3 0 57 o 3393.632 2380.595 130.09 0.56381 0.17 4 0 49 o 167.687 82.393 -144.15 0.56300 0.01 3 0 -57 o 3338.176 2380.595 -130.09 0.56381 0.17 2 2 54 o 65.869 35.943 126.11 0.56151 0.01 4 2 -31 o 2997.991 2264.978 -31.25 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