data_I _diffrn_radiation_wavelength 1.540598 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_peak_2theta_centroid _pd_peak_d_spacing _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status 0 0 1 9.55166 9.25200 0.20350 0.18425 0.02653 o 1 1 0 13.46119 6.57245 0.09371 0.08932 0.03003 o 1 -1 -1 15.77359 5.61375 0.00055 0.00058 0.00117 o 1 1 1 17.25675 5.13447 3.56869 3.53036 0.63199 o 2 0 0 17.26177 5.13298 0.13943 0.13828 0.03144 o 2 0 -1 18.47649 4.79817 1.76138 1.63211 0.26898 o 0 0 2 19.17051 4.62600 0.22045 0.21496 0.14421 o 0 2 0 20.74723 4.27786 1.94443 1.96139 0.25105 o 2 0 1 20.97495 4.23193 0.13364 0.12260 0.04163 o 1 -1 -2 22.41718 3.96282 0.08449 0.08453 0.03159 o 0 2 1 22.88478 3.88289 0.86184 0.83949 0.13632 o 2 0 -2 23.90462 3.71950 0.31724 0.33199 0.09193 o 1 1 2 24.53401 3.62548 0.05372 0.05222 0.02165 o 2 2 0 27.11276 3.28623 0.01278 0.01271 0.00695 o 2 0 2 27.77459 3.20940 0.09239 0.09653 0.01052 o 2 -2 -1 27.91953 3.19307 60.83072 59.84148 3.12911 o 3 1 0 28.06117 3.17727 38.25322 37.21280 1.13278 o 0 2 2 28.39406 3.14078 2.69499 2.49904 0.22941 o 3 -1 -1 28.40347 3.13976 0.07938 0.07358 0.01248 o 0 0 3 28.92810 3.08400 38.27593 38.71099 1.55165 o 2 2 1 29.67017 3.00853 0.90838 1.13636 0.25772 o 1 -1 -3 30.81869 2.89898 6.81012 6.81759 0.67615 o 3 1 1 30.95800 2.88625 1.04634 1.02352 0.18601 o 2 0 -3 31.54149 2.83418 2.30019 2.43321 0.33783 o 2 -2 -2 31.85639 2.80688 0.10264 0.09982 0.05172 o 3 -1 -2 31.88972 2.80402 0.64525 0.61604 0.19119 o 1 3 0 32.55955 2.74785 0.07251 0.06999 0.02654 o 1 1 3 33.20488 2.69590 2.38294 2.54918 0.53792 o 1 -3 -1 33.62827 2.66292 0.28864 0.29823 0.09026 o 1 3 1 34.38212 2.60624 17.88646 18.96322 0.87933 o 4 0 -1 34.84616 2.57259 0.50655 0.52529 0.04657 o 2 2 2 34.92120 2.56723 18.16244 18.79035 2.19432 o 4 0 0 34.93162 2.56649 0.57068 0.59118 0.09430 o 0 2 3 35.86695 2.50168 0.45128 0.46374 0.13096 o 2 0 3 36.08819 2.48685 1.13447 1.22176 0.31078 o 3 1 2 36.39783 2.46640 0.42466 0.43106 0.11620 o 1 -3 -2 37.36963 2.40446 7.74552 7.75184 0.57244 o 4 0 -2 37.45652 2.39908 3.49719 3.35112 0.25209 o 4 0 1 37.69699 2.38433 7.19349 7.03710 0.55703 o 3 -1 -3 37.74098 2.38165 10.26039 10.05710 0.87465 o 2 -2 -3 38.05551 2.36269 0.04705 0.04190 0.01432 o 1 3 2 38.73762 2.32264 7.51044 8.17346 0.78597 o 0 0 4 38.90557 2.31300 4.17461 4.54923 0.40081 o 1 -1 -4 40.05504 2.24923 0.00759 0.00716 0.00780 o 2 0 -4 40.30830 2.23568 10.83569 11.09603 1.43555 o 4 -2 -1 40.90105 2.20464 0.02645 0.02733 0.01551 o 4 2 0 40.97565 2.20080 0.47713 0.50137 0.12279 o 3 3 0 41.17080 2.19082 15.42296 15.91749 1.39071 o 3 -3 -1 41.41616 2.17840 0.00300 0.00299 0.00629 o 2 2 3 41.98983 2.14996 1.40029 1.45769 0.32082 o 0 4 0 42.21665 2.13893 5.43912 5.50382 0.69981 o 4 0 -3 42.33552 2.13320 1.64981 1.62509 0.18114 o 1 1 4 42.60880 2.12015 18.94515 20.04101 1.62539 o 4 0 2 42.69718 2.11596 0.99090 1.00152 0.09770 o 1 -3 -3 43.18921 2.09299 0.02921 0.03147 0.00845 o 4 -2 -2 43.20010 2.09249 4.30915 4.67165 0.53117 o 3 3 1 43.29360 2.08819 4.89790 5.33124 0.52723 o 0 4 1 43.38573 2.08396 0.13265 0.14344 0.02501 o 4 2 1 43.41390 2.08268 2.39446 2.58848 0.26650 o 3 1 3 43.56770 2.07568 8.77450 9.80382 0.91869 o 3 -3 -2 43.99741 2.05640 1.00383 1.05694 0.25208 o 0 2 4 44.49314 2.03463 1.57811 1.63899 0.38273 o 1 3 3 45.00684 2.01260 0.68841 0.65585 0.13477 o 5 -1 -1 45.02370 2.01188 3.91736 3.70880 0.70530 o 3 -1 -4 45.18837 2.00493 0.07615 0.07499 0.02323 o 2 0 4 45.27478 2.00131 0.99163 1.02118 0.53518 o 5 1 0 45.38963 1.99651 0.87258 0.89635 0.76033 o 2 -2 -4 45.75508 1.98141 24.20521 25.36616 1.56405 o 2 4 0 45.92747 1.97437 0.06182 0.06280 0.01590 o 2 -4 -1 46.44400 1.95361 19.74116 20.02328 1.93102 o 0 4 2 46.75221 1.94145 0.44714 0.43049 0.10201 o 5 -1 -2 46.87288 1.93673 0.03573 0.03364 0.01343 o 3 3 2 47.52869 1.91152 4.73059 4.45559 0.72217 o 4 -2 -3 47.59506 1.90901 0.05053 0.04704 0.01676 o 2 4 1 47.59658 1.90896 0.00104 0.00097 0.00841 o 4 2 2 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