data_4329322 _cod_data_source_file ic202715c_si_001_2.hkl _cod_data_source_block COREFINEMENT3_phase_1 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 0 1 0 1 o 678.928 670.388 180.00 5.77379 3.55 1 0 0 1 o 2655.064 2637.367 180.00 4.82314 9.68 0 1 1 1 o 2102.782 1983.667 0.00 3.84487 9.76 1 1 0 1 o 10660.311 10923.646 0.00 3.70156 45.85 1 1 -1 1 o 34567.195 34348.992 0.00 3.03309 100.00 1 1 1 1 o 33870.578 33863.266 180.00 2.98056 94.64 0 2 0 1 o 13592.447 13030.082 180.00 2.88689 17.82 0 0 2 1 o 30633.461 31885.248 180.00 2.57691 32.05 0 2 1 1 o 19577.414 19855.018 180.00 2.51867 39.15 1 2 0 1 o 519.411 462.138 0.00 2.47707 1.00 2 0 0 1 o 23473.361 24839.422 0.00 2.41157 21.53 0 1 2 1 o 206.217 245.945 0.00 2.35317 0.36 1 0 -2 1 o 5819.524 5778.223 0.00 2.29588 4.84 1 0 2 1 o 71.679 60.746 0.00 2.25049 0.06 2 1 0 1 o 499.513 487.718 180.00 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1.66604 0.43 0 1 3 1 o 1436.229 1293.669 180.00 1.64660 1.24 3 0 0 1 o 1654.947 1240.298 180.00 1.60771 0.68 1 1 -3 1 o 25765.432 25317.910 180.00 1.56938 20.25 3 1 0 1 o 4555.229 4560.435 0.00 1.54879 3.49 0 3 2 1 o 1906.457 1758.142 180.00 1.54200 1.45 1 1 3 1 o 21607.629 21370.830 0.00 1.54743 16.52 2 2 -2 1 o 9440.140 8863.591 0.00 1.51655 6.94 2 3 0 1 o 2234.431 2108.440 0.00 1.50427 1.62 3 1 -1 1 o 22715.836 22189.592 0.00 1.49281 16.19 2 2 2 1 o 9543.872 9041.038 0.00 1.49028 6.78 3 1 1 1 o 23592.119 22788.689 180.00 1.47389 16.40 0 2 3 1 o 24844.402 25033.859 0.00 1.47631 17.32 1 3 -2 1 o 24852.043 24497.613 0.00 1.47492 17.30 1 3 2 1 o 27918.332 27039.350 0.00 1.46267 19.12 2 3 -1 1 o 107.183 66.111 0.00 1.44988 0.07 0 4 0 1 o 6311.076 5515.063 180.00 1.44345 2.11 2 3 1 1 o 14.621 9.445 0.00 1.43824 0.01 1 2 -3 1 o 1555.982 1482.478 0.00 1.41989 1.01 3 2 0 1 o 535.828 502.879 0.00 1.40459 0.34 1 2 3 1 o 1360.392 1329.108 180.00 1.40358 0.86 0 4 1 1 o 24354.791 23884.742 0.00 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