data_I loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 2 0 0 1 o 8.154 6.075 0.00 3.08701 13.93 1 1 -2 1 o 13.243 10.698 0.00 3.07187 44.36 0 2 0 1 o 12.534 10.367 0.00 3.06242 20.74 1 1 2 1 o 13.396 11.106 0.00 3.06172 44.29 0 2 1 1 o 0.000 0.005 180.00 2.88692 0.00 2 1 0 1 o 0.684 0.862 180.00 2.75667 1.49 1 2 0 1 o 0.766 0.641 0.00 2.74347 1.63 2 1 -1 1 o 3.914 3.901 0.00 2.62976 7.04 2 1 1 1 o 2.948 2.912 180.00 2.62339 5.25 1 0 -3 1 o 12.551 12.256 180.00 2.61772 11.09 1 2 -1 1 o 4.352 4.240 0.00 2.61672 7.68 1 2 1 1 o 3.005 2.901 180.00 2.61358 5.28 0 1 3 1 o 0.096 0.092 0.00 2.60924 0.17 1 0 3 1 o 16.420 15.542 0.00 2.60831 14.30 2 0 -2 1 o 15.174 15.163 180.00 2.51844 11.48 2 0 2 1 o 16.927 16.476 180.00 2.50728 12.58 0 2 2 1 o 23.175 22.537 180.00 2.49952 34.03 1 1 -3 1 o 0.168 0.280 180.00 2.40709 0.21 1 1 3 1 o 0.354 0.257 0.00 2.39977 0.44 2 1 -2 1 o 0.976 0.493 180.00 2.32922 1.08 2 1 2 1 o 0.593 0.536 180.00 2.32038 0.65 1 2 -2 1 o 0.720 0.669 0.00 2.31905 0.78 1 2 2 1 o 0.880 0.857 0.00 2.31467 0.95 2 2 0 1 o 118.974 118.805 0.00 2.17410 100.00 0 0 4 1 o 103.130 102.398 0.00 2.16303 42.47 2 2 -1 1 o 0.398 0.225 180.00 2.11020 0.30 2 2 1 1 o 0.119 0.084 0.00 2.10691 0.09 0 2 3 1 o 0.634 0.471 180.00 2.09955 0.46 1 1 1 2 o 15.776 16.538 0.00 2.07423 3.37 0 1 4 1 o 0.015 0.014 180.00 2.03958 0.01 3 0 -1 1 o 14.616 14.314 0.00 2.00427 4.44 3 0 1 1 o 3.990 4.032 180.00 2.00004 1.20 2 1 -3 1 o 1.554 1.578 180.00 1.99695 0.93 1 2 -3 1 o 6.446 6.599 0.00 1.98984 3.80 2 1 3 1 o 4.648 4.756 0.00 1.98860 2.73 0 3 1 1 o 0.210 0.215 0.00 1.98704 0.12 1 2 3 1 o 1.280 1.315 180.00 1.98569 0.75 3 1 0 1 o 3.831 4.070 0.00 1.95083 2.09 2 2 -2 1 o 9.106 9.509 0.00 1.94517 4.90 2 2 2 1 o 16.697 17.269 0.00 1.94001 8.90 1 1 -4 1 o 12.799 13.216 0.00 1.93920 6.81 1 3 0 1 o 11.659 12.021 0.00 1.93838 6.19 1 1 4 1 o 7.555 7.777 0.00 1.93409 3.98 3 1 -1 1 o 0.492 0.509 0.00 1.90487 0.24 3 1 1 1 o 0.047 0.045 180.00 1.90124 0.02 1 3 -1 1 o 0.664 0.560 0.00 1.89209 0.32 1 3 1 1 o 1.031 0.830 180.00 1.89090 0.50 0 3 2 1 o 0.080 0.017 0.00 1.84633 0.04 2 0 0 2 o 20.089 17.364 0.00 1.79633 1.81 3 1 -2 1 o 19.050 19.020 0.00 1.78134 7.22 3 1 2 1 o 25.999 26.714 0.00 1.77541 9.72 2 0 -4 1 o 25.332 26.033 0.00 1.77537 4.73 1 3 -2 1 o 8.217 8.644 0.00 1.76990 3.03 1 3 2 1 o 13.297 14.125 0.00 1.76796 4.89 2 0 4 1 o 8.965 9.547 0.00 1.76755 1.65 0 2 4 1 o 21.461 22.983 0.00 1.76676 7.87 2 2 -3 1 o 0.055 0.188 180.00 1.73884 0.02 2 2 3 1 o 0.013 0.042 0.00 1.73332 0.00 3 2 0 1 o 1.024 0.981 180.00 1.70813 0.33 2 1 -4 1 o 0.279 0.294 180.00 1.70518 0.09 2 3 0 1 o 0.352 0.384 0.00 1.70289 0.11 1 2 -4 1 o 0.182 0.203 0.00 1.70031 0.06 2 1 4 1 o 0.348 0.395 180.00 1.69825 0.11 1 2 4 1 o 0.163 0.190 0.00 1.69687 0.05 3 0 -3 1 o 2.202 2.420 0.00 1.67896 0.33 3 2 -1 1 o 0.014 0.015 0.00 1.67703 0.00 3 2 1 1 o 3.416 3.743 180.00 1.67455 1.01 2 3 -1 1 o 0.984 1.068 0.00 1.67166 0.29 3 0 3 1 o 0.040 0.043 0.00 1.67152 0.01 2 3 1 1 o 5.284 5.697 180.00 1.67001 1.55 1 0 -5 1 o 14.250 15.306 180.00 1.66825 2.08 0 3 3 1 o 0.732 0.788 0.00 1.66635 0.21 0 1 5 1 o 0.503 0.545 180.00 1.66524 0.15 1 0 5 1 o 4.814 5.260 0.00 1.66418 0.69 3 1 -3 1 o 0.528 0.502 0.00 1.61922 0.14 3 1 3 1 o 0.156 0.159 180.00 1.61255 0.04 1 3 -3 1 o 0.345 0.334 180.00 1.60988 0.09 1 1 -5 1 o 0.018 0.017 180.00 1.60961 0.00 1 3 3 1 o 0.163 0.136 0.00 1.60768 0.04 1 1 5 1 o 0.035 0.024 0.00 1.60596 0.01 3 2 -2 1 o 0.346 0.192 180.00 1.59089 0.08 3 2 2 1 o 0.405 0.315 180.00 1.58666 0.10 2 3 -2 1 o 0.968 0.762 0.00 1.58595 0.23 2 3 2 1 o 1.193 0.807 0.00 1.58315 0.28 4 0 0 1 o 73.061 73.124 0.00 1.54351 7.80 2 2 -4 1 o 74.429 77.593 0.00 1.53593 15.58 0 4 0 1 o 114.831 120.419 0.00 1.53121 11.87 2 2 4 1 o 76.646 80.431 0.00 1.53086 15.84 0 4 1 1 o 0.445 0.389 0.00 1.50778 0.09 0 2 5 1 o 0.411 0.354 180.00 1.50655 0.08 4 1 0 1 o 2.276 2.118 0.00 1.49671 0.43 1 4 0 1 o 3.086 3.080 180.00 1.48619 0.57 0 3 4 1 o 0.003 0.003 0.00 1.48471 0.00 4 1 -1 1 o 4.379 4.467 0.00 1.47594 0.78 4 1 1 1 o 5.961 6.081 180.00 1.47368 1.06 3 2 -3 1 o 21.690 22.192 180.00 1.47222 3.83 2 1 -5 1 o 1.738 1.798 0.00 1.46837 0.30 2 3 -3 1 o 3.618 3.747 180.00 1.46802 0.63 3 2 3 1 o 13.822 14.331 0.00 1.46719 2.41 1 4 -1 1 o 0.154 0.160 180.00 1.46501 0.03 1 2 -5 1 o 14.697 15.235 0.00 1.46499 2.55 2 3 3 1 o 2.568 2.661 0.00 1.46469 0.44 1 4 1 1 o 0.130 0.135 180.00 1.46446 0.02 2 1 5 1 o 3.901 4.024 180.00 1.46284 0.67 1 2 5 1 o 24.730 25.464 180.00 1.46223 4.25 4 0 -2 1 o 15.905 16.243 0.00 1.45591 1.34 3 1 -4 1 o 5.123 5.147 0.00 1.45189 0.86 4 0 2 1 o 32.815 32.925 0.00 1.45159 2.74 3 3 0 1 o 2.658 2.644 0.00 1.44940 0.44 3 1 4 1 o 2.277 2.235 0.00 1.44547 0.37 1 3 -4 1 o 9.121 8.921 0.00 1.44461 1.49 0 4 2 1 o 6.987 6.798 0.00 1.44346 1.14 1 3 4 1 o 12.263 11.895 0.00 1.44250 2.00 0 0 6 1 o 0.013 0.013 0.00 1.44202 0.00 3 3 -1 1 o 0.199 0.048 0.00 1.43025 0.03 3 3 1 1 o 0.805 0.169 180.00 1.42871 0.13 4 1 -2 1 o 1.698 1.603 0.00 1.41644 0.26 4 1 2 1 o 2.741 2.622 0.00 1.41246 0.41 1 4 -2 1 o 1.584 1.589 180.00 1.40604 0.23 1 4 2 1 o 1.528 1.561 180.00 1.40507 0.22 0 1 6 1 o 0.010 0.011 180.00 1.40364 0.00 4 2 0 1 o 1.760 1.624 0.00 1.37833 0.24 3 3 -2 1 o 18.892 18.627 0.00 1.37569 2.55 3 3 2 1 o 18.147 18.304 0.00 1.37295 2.43 2 4 0 1 o 8.014 8.118 0.00 1.37174 1.07 1 1 -6 1 o 10.399 10.576 0.00 1.37007 1.38 1 1 6 1 o 12.568 12.882 0.00 1.36736 1.65 4 2 -1 1 o 0.000 0.000 0.00 1.36206 0.00 4 2 1 1 o 0.111 0.126 0.00 1.36028 0.01 2 2 -5 1 o 0.717 0.793 180.00 1.35611 0.09 2 4 -1 1 o 0.026 0.029 0.00 1.35525 0.00 2 4 1 1 o 0.055 0.060 0.00 1.35438 0.01 0 4 3 1 o 0.481 0.496 0.00 1.35242 0.06 2 2 5 1 o 0.861 0.861 0.00 1.35174 0.11 3 2 -4 1 o 0.406 0.261 180.00 1.34309 0.05 2 3 -4 1 o 0.319 0.219 0.00 1.33969 0.04 3 2 4 1 o 0.819 0.612 180.00 1.33801 0.10 2 3 4 1 o 0.043 0.035 0.00 1.33632 0.01 4 1 -3 1 o 6.859 6.259 180.00 1.33095 0.81 3 0 -5 1 o 29.110 27.719 0.00 1.32753 1.70 4 1 3 1 o 4.435 4.267 0.00 1.32600 0.52 1 4 -3 1 o 8.374 8.085 180.00 1.32170 0.96 3 0 5 1 o 26.964 26.022 180.00 1.32140 1.55 1 4 3 1 o 11.694 11.268 0.00 1.32049 1.34 0 3 5 1 o 0.200 0.192 180.00 1.32005 0.02 4 2 -2 1 o 1.571 1.547 180.00 1.31488 0.18 4 2 2 1 o 3.093 2.998 180.00 1.31170 0.34 2 0 -6 1 o 0.483 0.460 180.00 1.30886 0.03 2 4 -2 1 o 9.845 9.344 180.00 1.30836 1.09 2 4 2 1 o 10.523 9.922 180.00 1.30679 1.15 0 2 6 1 o 1.844 1.743 180.00 1.30462 0.20 2 0 6 1 o 0.489 0.464 180.00 1.30416 0.03 3 1 -5 1 o 1.833 1.828 0.00 1.29740 0.20 3 3 -3 1 o 1.956 1.936 180.00 1.29678 0.21 3 3 3 1 o 1.261 1.199 0.00 1.29334 0.13 1 3 -5 1 o 1.160 1.109 0.00 1.29183 0.12 3 1 5 1 o 1.275 1.220 180.00 1.29168 0.13 1 3 5 1 o 1.049 1.049 180.00 1.28993 0.11 2 1 -6 1 o 0.000 0.047 180.00 1.27996 0.00 1 2 -6 1 o 0.000 0.013 0.00 1.27753 0.00 2 1 6 1 o 0.001 0.006 180.00 1.27556 0.00 1 2 6 1 o 0.024 0.133 0.00 1.27534 0.00 2 2 0 2 o 18.620 21.101 0.00 1.27020 0.84 4 0 -4 1 o 42.770 42.081 0.00 1.25922 2.02 4 0 4 1 o 53.589 52.933 0.00 1.25364 2.49 0 4 4 1 o 83.639 82.646 0.00 1.24976 7.68 4 2 -3 1 o 0.662 0.703 0.00 1.24564 0.06 4 2 3 1 o 0.396 0.448 180.00 1.24158 0.04 2 4 -3 1 o 1.699 1.916 0.00 1.23976 0.15 2 4 3 1 o 1.319 1.533 180.00 1.23775 0.12 4 1 -4 1 o 0.287 0.355 0.00 1.23342 0.02 4 3 0 1 o 2.267 2.630 180.00 1.23124 0.20 3 4 0 1 o 1.019 1.063 0.00 1.22848 0.09 4 1 4 1 o 1.284 1.323 0.00 1.22817 0.11 1 4 -4 1 o 0.868 0.821 180.00 1.22556 0.07 1 4 4 1 o 1.713 1.594 180.00 1.22427 0.14 5 0 -1 1 o 0.251 0.233 180.00 1.22322 0.01 5 0 1 1 o 3.601 3.376 180.00 1.22162 0.15 4 3 -1 1 o 9.698 9.087 0.00 1.21959 0.81 4 3 1 1 o 2.495 2.332 180.00 1.21832 0.21 3 2 -5 1 o 4.774 4.463 180.00 1.21801 0.40 3 4 -1 1 o 11.589 10.890 0.00 1.21676 0.96 3 4 1 1 o 3.385 3.206 180.00 1.21581 0.28 2 3 -5 1 o 0.730 0.695 0.00 1.21532 0.06 3 2 5 1 o 1.363 1.320 0.00 1.21327 0.11 1 0 -7 1 o 13.506 13.093 180.00 1.21306 0.55 0 5 1 1 o 0.898 0.871 180.00 1.21287 0.07 2 3 5 1 o 3.939 3.834 180.00 1.21217 0.32 0 1 7 1 o 0.963 0.939 0.00 1.21159 0.08 1 0 7 1 o 33.199 32.429 0.00 1.21087 1.34 5 1 0 1 o 0.001 0.001 180.00 1.21045 0.00 3 3 -4 1 o 6.887 7.037 0.00 1.20592 0.55 2 2 -6 1 o 0.222 0.231 180.00 1.20355 0.02 3 3 4 1 o 0.297 0.313 0.00 1.20224 0.02 1 5 0 1 o 8.731 9.263 0.00 1.20155 0.68 2 2 6 1 o 3.481 3.848 0.00 1.19988 0.27 5 1 -1 1 o 0.670 0.754 180.00 1.19953 0.05 5 1 1 1 o 0.091 0.118 180.00 1.19802 0.01 1 5 -1 1 o 1.223 1.873 0.00 1.19027 0.09 1 5 1 1 o 0.428 0.638 180.00 1.18998 0.03 1 1 -7 1 o 0.329 0.491 180.00 1.18995 0.02 1 1 7 1 o 0.219 0.298 0.00 1.18788 0.02 4 3 -2 1 o 0.705 0.896 180.00 1.18538 0.05 4 3 2 1 o 1.180 1.360 180.00 1.18304 0.09 3 4 -2 1 o 1.960 2.224 0.00 1.18263 0.14 3 4 2 1 o 2.850 3.125 0.00 1.18089 0.21 0 5 2 1 o 0.005 0.006 180.00 1.17863 0.00 0 3 6 1 o 0.119 0.144 0.00 1.17784 0.01 5 1 -2 1 o 34.348 34.810 0.00 1.16708 2.40 4 2 -4 1 o 17.624 17.262 0.00 1.16461 1.22 5 1 2 1 o 38.751 37.922 0.00 1.16429 2.68 3 1 -6 1 o 13.131 12.959 0.00 1.16208 0.90 4 2 4 1 o 1.488 1.481 0.00 1.16019 0.10 2 4 -4 1 o 25.192 25.040 0.00 1.15952 1.71 1 5 -2 1 o 10.825 10.689 0.00 1.15799 0.73 1 3 -6 1 o 6.486 6.400 0.00 1.15780 0.44 1 5 2 1 o 7.300 7.198 0.00 1.15745 0.49 2 4 4 1 o 10.880 10.727 0.00 1.15734 0.73 3 1 6 1 o 31.562 31.125 0.00 1.15715 2.13 1 3 6 1 o 18.041 17.941 0.00 1.15616 1.21 0 4 5 1 o 1.877 2.709 0.00 1.14672 0.12 0 2 7 1 o 0.604 0.877 180.00 1.14618 0.04 5 2 0 1 o 0.117 0.176 0.00 1.14522 0.01 2 5 0 1 o 0.808 0.891 180.00 1.13860 0.05 5 0 -3 1 o 19.789 19.840 180.00 1.13707 0.62 5 2 -1 1 o 12.051 11.744 0.00 1.13596 0.75 5 2 1 1 o 0.584 0.565 180.00 1.13467 0.04 4 1 -5 1 o 4.411 4.271 0.00 1.13457 0.28 4 3 -3 1 o 2.227 2.161 180.00 1.13390 0.14 5 0 3 1 o 5.335 5.193 0.00 1.13321 0.17 3 4 -3 1 o 1.284 1.248 0.00 1.13136 0.08 4 3 3 1 o 6.081 5.884 0.00 1.13083 0.37 2 1 -7 1 o 0.640 0.610 180.00 1.12960 0.04 4 1 5 1 o 3.600 3.425 180.00 1.12947 0.22 2 5 -1 1 o 6.654 6.299 0.00 1.12912 0.41 3 4 3 1 o 0.185 0.175 0.00 1.12908 0.01 2 5 1 1 o 0.668 0.628 180.00 1.12862 0.04 1 4 -5 1 o 10.391 9.708 180.00 1.12807 0.63 1 2 -7 1 o 17.248 16.074 0.00 1.12781 1.05 0 5 3 1 o 0.037 0.035 180.00 1.12748 0.00 1 4 5 1 o 3.240 3.011 0.00 1.12681 0.20 2 1 7 1 o 4.097 3.841 0.00 1.12607 0.25 1 2 7 1 o 4.989 4.681 180.00 1.12605 0.30 5 1 -3 1 o 2.151 2.700 180.00 1.11797 0.13 5 1 3 1 o 0.195 0.462 0.00 1.11430 0.01 3 3 -5 1 o 0.056 0.137 180.00 1.11294 0.00 1 5 -3 1 o 0.956 1.396 180.00 1.10950 0.05 3 3 5 1 o 0.157 0.228 0.00 1.10932 0.01 1 5 3 1 o 1.579 2.284 0.00 1.10878 0.09 5 2 -2 1 o 0.299 0.445 0.00 1.10828 0.02 5 2 2 1 o 0.211 0.667 0.00 1.10589 0.01 3 2 -6 1 o 0.000 0.018 0.00 1.10400 0.00 2 3 -6 1 o 0.000 0.112 0.00 1.10187 0.00 2 5 -2 1 o 0.000 0.259 180.00 1.10157 0.00 2 5 2 1 o 0.000 0.027 180.00 1.10063 0.00 3 2 6 1 o 0.000 0.011 180.00 1.09976 0.00 2 3 6 1 o 0.000 0.078 0.00 1.09906 0.00 4 4 0 1 o 59.565 56.929 0.00 1.08705 3.13 0 0 8 1 o 32.206 30.824 0.00 1.08151 0.83 4 2 -5 1 o 0.174 0.162 0.00 1.08033 0.01 4 4 -1 1 o 1.547 1.408 180.00 1.07901 0.08 4 4 1 1 o 0.445 0.406 0.00 1.07813 0.02 3 1 1 2 o 24.146 24.423 0.00 1.08323 1.15 2 4 -5 1 o 1.130 1.068 0.00 1.07605 0.06 2 2 -7 1 o 0.337 0.319 180.00 1.07604 0.02 4 2 5 1 o 0.021 0.020 180.00 1.07592 0.00 2 2 7 1 o 0.213 0.199 0.00 1.07298 0.01 2 4 5 1 o 0.511 0.487 180.00 1.07386 0.03 4 3 -4 1 o 0.828 0.757 180.00 1.07176 0.04 3 4 -4 1 o 0.094 0.087 0.00 1.06951 0.00 4 3 4 1 o 1.600 1.491 180.00 1.06831 0.08 3 4 4 1 o 0.474 0.440 0.00 1.06694 0.02 5 2 -3 1 o 2.050 1.906 0.00 1.06597 0.10 0 5 4 1 o 0.218 0.203 180.00 1.06591 0.01 0 1 8 1 o 0.077 0.072 180.00 1.06504 0.00 5 2 3 1 o 0.035 0.033 0.00 1.06278 0.00 3 0 -7 1 o 5.541 5.318 0.00 1.06180 0.13 2 5 -3 1 o 0.188 0.177 180.00 1.05968 0.01 2 5 3 1 o 5.911 5.487 0.00 1.05843 0.28 5 1 -4 1 o 0.553 0.513 0.00 1.05838 0.03 3 0 7 1 o 3.558 3.228 180.00 1.05741 0.08 0 3 7 1 o 0.786 0.712 0.00 1.05734 0.04 5 3 0 1 o 0.281 0.250 0.00 1.05658 0.01 4 0 -6 1 o 0.036 0.032 0.00 1.05619 0.00 4 4 -2 1 o 14.349 12.276 0.00 1.05510 0.67 5 1 4 1 o 0.459 0.385 180.00 1.05424 0.02 4 4 2 1 o 29.649 24.578 0.00 1.05345 1.37 3 5 0 1 o 6.056 4.947 0.00 1.05262 0.28 4 0 6 1 o 19.632 15.706 0.00 1.05125 0.45 1 5 -4 1 o 18.050 14.366 0.00 1.05078 0.83 1 1 -8 1 o 13.000 10.317 0.00 1.05035 0.60 1 5 4 1 o 4.981 3.950 0.00 1.04996 0.23 0 4 6 1 o 0.020 0.016 0.00 1.04978 0.00 5 3 -1 1 o 1.718 1.368 0.00 1.04930 0.08 1 1 8 1 o 5.287 4.245 0.00 1.04872 0.24 5 3 1 1 o 0.057 0.046 180.00 1.04829 0.00 3 1 -7 1 o 1.005 0.854 0.00 1.04620 0.05 3 5 -1 1 o 1.273 1.088 0.00 1.04521 0.06 3 5 1 1 o 1.584 1.357 180.00 1.04461 0.07 1 3 -7 1 o 0.077 0.070 180.00 1.04287 0.00 3 1 7 1 o 0.886 0.881 180.00 1.04200 0.04 1 3 7 1 o 0.079 0.084 0.00 1.04147 0.00 4 1 -6 1 o 0.013 0.015 0.00 1.04083 0.00 4 1 6 1 o 0.475 0.456 0.00 1.03610 0.02 1 4 -6 1 o 0.053 0.047 180.00 1.03551 0.00 1 4 6 1 o 0.022 0.018 180.00 1.03434 0.00 2 2 2 2 o 22.953 25.642 0.00 1.03711 0.31 6 0 0 1 o 0.306 0.261 0.00 1.02900 0.01 5 3 -2 1 o 38.741 32.615 0.00 1.02737 1.62 5 3 2 1 o 56.287 46.583 0.00 1.02546 2.34 3 3 -6 1 o 20.852 17.073 0.00 1.02396 0.86 3 5 -2 1 o 19.153 15.596 0.00 1.02334 0.79 3 5 2 1 o 35.302 28.361 0.00 1.02221 1.45 2 0 -8 1 o 85.626 68.766 0.00 1.02219 1.76 0 6 0 1 o 18.160 14.266 0.00 1.02081 0.37 3 3 6 1 o 26.115 20.431 0.00 1.02057 1.07 0 2 8 1 o 73.281 56.582 0.00 1.01979 2.98 2 0 8 1 o 41.670 31.896 0.00 1.01919 0.85 4 4 -3 1 o 0.291 0.221 180.00 1.01831 0.01 4 4 3 1 o 0.035 0.027 180.00 1.01609 0.00