data_I loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 2 1 1 1 o 74.843 71.617 180.00 4.86710 0.35 2 1 1 2 o 75.231 71.617 180.00 4.86710 0.17 2 2 0 1 o 1773.922 1838.642 0.00 4.21503 1.08 2 2 0 2 o 1630.158 1838.642 0.00 4.21503 0.47 3 2 1 1 o 181.870 216.561 0.00 3.18627 0.53 3 2 1 2 o 202.973 216.561 0.00 3.18627 0.29 4 0 0 1 o 179294.28 183614.50 0.00 2.98048 45.24 4 0 0 2 o 184389.61 183614.50 0.00 2.98048 23.14 4 2 0 1 o 131237.47 130435.84 180.00 2.66582 100.00 4 2 0 2 o 128320.92 130435.84 180.00 2.66582 48.69 3 3 2 1 o 14954.935 13590.186 180.00 2.54176 10.44 3 3 2 2 o 14766.234 13590.186 180.00 2.54176 5.13 4 2 2 1 o 53851.70 53007.35 0.00 2.43355 32.69 4 2 2 2 o 56583.17 53007.35 0.00 2.43355 17.08 4 3 1 1 o 15329.551 14561.177 0.00 2.33808 17.02 4 3 1 2 o 15375.664 14561.177 0.00 2.33808 8.49 5 2 1 1 o 15822.573 15937.339 180.00 2.17663 15.38 5 2 1 2 o 15590.021 15937.339 180.00 2.17663 7.54 4 4 0 1 o 3126.757 4988.794 180.00 2.10752 0.99 4 4 0 2 o 1766.693 4988.794 180.00 2.10752 0.35 5 3 2 1 o 15500.657 15815.590 0.00 1.93399 11.77 6 1 1 1 o 33061.965 33727.809 0.00 1.93399 13.13 5 3 2 2 o 15243.364 15815.590 0.00 1.93399 5.76 6 1 1 2 o 32532.258 33727.809 0.00 1.93399 6.43 6 2 0 1 o 14957.021 13925.907 0.00 1.88502 4.77 6 2 0 2 o 13920.508 13925.907 0.00 1.88502 2.19 5 4 1 1 o -3.016 136.566 0.00 1.83959 0.00 5 4 1 2 o -3.016 136.566 0.00 1.83959 0.00 6 3 1 1 o 342.429 67.650 180.00 1.75779 0.23 6 3 1 2 o 186.379 67.650 180.00 1.75779 0.07 4 4 4 1 o 122813.43 119230.08 180.00 1.72078 14.05 4 4 4 2 o 116706.77 119230.08 180.00 1.72078 6.67 5 4 3 1 o 2371.237 1523.771 180.00 1.68601 1.38 5 4 3 2 o 2933.572 1523.771 180.00 1.68601 0.85 6 4 0 1 o 113161.01 109156.01 0.00 1.65327 31.23 6 4 0 2 o 112647.83 109156.01 0.00 1.65327 15.47 5 5 2 1 o 6003.804 3648.424 180.00 1.62237 1.59 6 3 3 1 o 4022.220 2457.305 180.00 1.62237 1.06 7 2 1 1 o 291.166 157.264 0.00 1.62237 0.19 5 5 2 2 o 6805.863 3648.424 180.00 1.62237 0.89 6 3 3 2 o 4561.429 2457.305 180.00 1.62237 0.60 7 2 1 2 o 337.123 157.264 0.00 1.62237 0.10 6 4 2 1 o 120960.98 123927.03 0.00 1.59313 59.80 6 4 2 2 o 120425.15 123927.03 0.00 1.59313 29.62 6 5 1 1 o 1722.290 1219.685 0.00 1.51408 0.80 7 3 2 1 o 139.810 91.233 180.00 1.51408 0.08 6 5 1 2 o 1692.185 1219.685 0.00 1.51408 0.39 7 3 2 2 o 136.831 91.233 180.00 1.51408 0.04 8 0 0 1 o 241104.69 221144.66 0.00 1.49024 14.64 8 0 0 2 o 248278.00 221144.66 0.00 1.49024 7.49 7 4 1 1 o 4998.886 4271.027 0.00 1.46749 2.09 7 4 1 2 o 4384.031 4271.027 0.00 1.46749 0.91 8 2 0 1 o 307.246 763.295 0.00 1.44574 0.07 8 2 0 2 o 495.301 763.295 0.00 1.44574 0.05 6 5 3 1 o 2071.729 2165.047 0.00 1.42494 0.85 6 5 3 2 o 1901.740 2165.047 0.00 1.42494 0.39 6 6 0 1 o -39.810 8.028 180.00 1.40501 0.01 8 2 2 1 o 2648.236 3401.350 0.00 1.40501 0.36 6 6 0 2 o -58.618 8.028 180.00 1.40501 0.00 8 2 2 2 o 2343.881 3401.350 0.00 1.40501 0.15 7 4 3 1 o 909.521 793.504 180.00 1.38589 0.34 8 3 1 1 o 138.196 120.332 180.00 1.38589 0.05 7 4 3 2 o 879.073 793.504 180.00 1.38589 0.17 8 3 1 2 o 132.618 120.332 180.00 1.38589 0.03 7 5 2 1 o 1396.008 688.839 0.00 1.34989 0.50 7 5 2 2 o 993.418 688.839 0.00 1.34989 0.18 8 4 0 1 o 80235.53 83135.54 0.00 1.33291 13.92 8 4 0 2 o 81375.52 83135.54 0.00 1.33291 7.03 8 4 2 1 o 58729.81 57143.98 180.00 1.30079 20.51 8 4 2 2 o 56471.23 57143.98 180.00 1.30079 9.84 7 6 1 1 o 2443.976 2195.704 0.00 1.28557 0.80 6 5 5 1 o 1689.682 1509.500 0.00 1.28557 0.31 9 2 1 1 o 649.224 576.603 180.00 1.28557 0.25 7 6 1 2 o 2688.663 2195.704 0.00 1.28557 0.43 6 5 5 2 o 1870.990 1509.500 0.00 1.28557 0.17 9 2 1 2 o 722.322 576.603 180.00 1.28557 0.14 6 6 4 1 o 63059.94 62733.28 0.00 1.27088 10.61 6 6 4 2 o 60955.91 62733.28 0.00 1.27088 5.11 7 5 4 1 o 3045.647 2929.816 0.00 1.25668 1.00 8 5 1 1 o 3737.241 3596.813 0.00 1.25668 1.17 7 5 4 2 o 2925.794 2929.816 0.00 1.25668 0.48 8 5 1 2 o 3593.271 3596.813 0.00 1.25668 0.56 9 3 2 1 o 1544.734 1463.008 0.00 1.22965 0.50 7 6 3 1 o 172.300 159.621 180.00 1.22965 0.07 7 6 3 2 o 127.778 159.621 180.00 1.22965 0.03 9 3 2 2 o 1228.325 1463.008 0.00 1.22965 0.20 8 4 4 1 o 2926.953 3320.082 0.00 1.21678 0.32 8 4 4 2 o 2668.431 3320.082 0.00 1.21678 0.14 9 4 1 1 o 6653.378 6757.287 0.00 1.20430 1.98 8 5 3 1 o 6749.581 6852.777 180.00 1.20430 2.00 9 4 1 2 o 6102.963 6757.287 0.00 1.20430 0.91 8 5 3 2 o 6191.576 6852.777 180.00 1.20430 0.92 8 6 0 1 o -1.322 13.572 0.00 1.19219 0.00 8 6 0 2 o 9.869 13.572 0.00 1.19219 0.00 7 7 2 1 o 2700.753 3184.726 0.00 1.18045 0.41 10 1 1 1 o 389.486 458.715 0.00 1.18045 0.06 7 7 2 2 o 2971.881 3184.726 0.00 1.18045 0.22 10 1 1 2 o 431.392 458.715 0.00 1.18045 0.04 8 6 2 1 o 388.156 383.394 180.00 1.16904 0.22 10 2 0 1 o 6720.514 6668.755 180.00 1.16904 1.22 8 6 2 2 o 318.507 383.394 180.00 1.16904 0.10 10 2 0 2 o 6015.384 6668.755 180.00 1.16904 0.56 9 4 3 1 o 1462.894 1777.080 180.00 1.15796 0.41 9 4 3 2 o 1822.081 1777.080 180.00 1.15796 0.25 10 3 1 1 o 611.566 577.858 180.00 1.13671 0.19 9 5 2 1 o 4.743 2.432 0.00 1.13671 0.01 7 6 5 1 o 3029.238 2875.103 180.00 1.13671 0.91 9 5 2 2 o 14.772 2.432 0.00 1.13671 0.01 10 3 1 2 o 768.497 577.858 180.00 1.13671 0.12 7 6 5 2 o 3743.547 2875.103 180.00 1.13671 0.55 8 7 1 1 o 1098.346 135.838 180.00 1.11659 0.28 8 7 1 2 o 381.269 135.838 180.00 1.11659 0.05 10 4 0 1 o 48277.95 47768.65 0.00 1.10692 6.79 8 6 4 1 o 41966.42 42024.05 0.00 1.10692 12.03 10 4 0 2 o 47080.66 47768.65 0.00 1.10692 3.31 8 6 4 2 o 41290.79 42024.05 0.00 1.10692 5.91 9 6 1 1 o 967.807 739.202 0.00 1.09750 0.27 10 3 3 1 o 774.974 586.540 0.00 1.09750 0.11 9 6 1 2 o 1042.067 739.202 0.00 1.09750 0.14 10 3 3 2 o 838.737 586.540 0.00 1.09750 0.06 10 4 2 1 o 62299.08 58135.73 0.00 1.08832 15.96 10 4 2 2 o 59108.81 58135.73 0.00 1.08832 7.56 8 7 3 1 o 2989.754 2322.254 0.00 1.07936 0.78 9 5 4 1 o 347.624 271.694 180.00 1.07936 0.09 8 7 3 2 o 4034.765 2322.254 0.00 1.07936 0.52 9 5 4 2 o 466.465 271.694 180.00 1.07936 0.06 10 5 1 1 o 1034.410 785.482 180.00 1.06209 0.28 9 6 3 1 o 2150.485 1651.282 0.00 1.06209 0.57 11 2 1 1 o 314.032 251.340 0.00 1.06209 0.10 10 5 1 2 o 812.778 785.482 180.00 1.06209 0.11 9 6 3 2 o 1705.549 1651.282 0.00 1.06209 0.23 11 2 1 2 o 244.277 251.340 0.00 1.06209 0.04 8 8 0 1 o 189142.13 183583.19 0.00 1.05376 12.02 8 8 0 2 o 183626.25 183583.19 0.00 1.05376 5.83 10 5 3 1 o 1489.900 934.028 0.00 1.02990 0.38 9 7 2 1 o 23.665 2.141 180.00 1.02990 0.01 11 3 2 1 o 316.258 189.469 0.00 1.02990 0.09 7 7 6 1 o 732.723 465.489 0.00 1.02990 0.10 11 3 2 2 o 263.014 189.469 0.00 1.02990 0.04 9 7 2 2 o 13.952 2.141 180.00 1.02990 0.01 7 7 6 2 o 615.440 465.489 0.00 1.02990 0.04 10 5 3 2 o 1245.962 934.028 0.00 1.02990 0.16 8 6 6 1 o 36.817 35.401 0.00 1.02230 0.01 10 6 0 1 o 976.194 935.052 180.00 1.02230 0.19 8 6 6 2 o 24.710 35.401 0.00 1.02230 0.00 10 6 0 2 o 522.413 935.052 180.00 1.02230 0.07 8 7 5 1 o 602.751 917.152 0.00 1.01486 0.16 11 4 1 1 o 1529.799 2322.635 180.00 1.01486 0.40 11 4 1 2 o 1261.386 2322.635 180.00 1.01486 0.16 8 7 5 2 o 496.322 917.152 0.00 1.01486 0.07 10 6 2 1 o 228.003 270.804 180.00 1.00759 0.06 10 6 2 2 o 315.816 270.804 180.00 1.00759 0.04 9 6 5 1 o 156.985 331.605 0.00 1.00046 0.06 9 6 5 2 o 378.040 331.605 0.00 1.00046 0.06 8 8 4 1 o 31963.834 36418.16 0.00 0.99349 4.03 12 0 0 1 o 12225.210 13940.970 0.00 0.99349 0.41 12 0 0 2 o 12213.314 13940.970 0.00 0.99349 0.20 8 8 4 2 o 31842.078 36418.16 0.00 0.99349 2.00 9 7 4 1 o 930.827 1041.664 180.00 0.98666 0.24 11 4 3 1 o 11.703 13.088 180.00 0.98666 0.00 9 8 1 1 o 943.906 1056.870 0.00 0.98666 0.23 9 7 4 2 o 1182.703 1041.664 180.00 0.98666 0.15 11 4 3 2 o 14.867 13.088 180.00 0.98666 0.00 9 8 1 2 o 1201.251 1056.870 0.00 0.98666 0.15 12 2 0 1 o 35500.38 36178.17 180.00 0.97998 4.99 12 2 0 2 o 36830.75 36178.17 180.00 0.97998 2.58 10 5 5 1 o 324.485 334.158 180.00 0.97342 0.05 10 7 1 1 o 1397.038 1420.048 180.00 0.97342 0.36 11 5 2 1 o 215.344 219.201 0.00 0.97342 0.06 10 5 5 2 o 416.435 334.158 180.00 0.97342 0.03 10 7 1 2 o 1726.941 1420.048 180.00 0.97342 0.22 11 5 2 2 o 268.393 219.201 0.00 0.97342 0.04 12 2 2 1 o 69510.27 64075.65 0.00 0.96700 8.96 10 6 4 1 o 33751.988 31099.422 0.00 0.96700 8.25 12 2 2 2 o 66538.46 64075.65 0.00 0.96700 4.29 10 6 4 2 o 32332.320 31099.422 0.00 0.96700 3.96 9 8 3 1 o 279.242 198.531 180.00 0.96070 0.07 12 3 1 1 o 1030.767 737.483 0.00 0.96070 0.27 9 8 3 2 o 458.201 198.531 180.00 0.96070 0.06 12 3 1 2 o 1693.757 737.483 0.00 0.96070 0.22 10 7 3 1 o 564.036 251.566 0.00 0.94846 0.15 11 6 1 1 o 246.269 99.163 180.00 0.94846 0.07 11 6 1 2 o 176.768 99.163 180.00 0.94846 0.03 10 7 3 2 o 416.378 251.566 0.00 0.94846 0.06 12 4 0 1 o 1220.298 979.974 0.00 0.94251 0.11