#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:04:12 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1179 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000010.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4000010 loop_ _publ_author_name 'Turrina, Alessandro' 'Garcia, Raquel' 'Cox, Paul A.' 'Casci, John L.' 'Wright, Paul A.' _publ_section_title ; Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves ; _journal_issue 14 _journal_name_full 'Chemistry of Materials' _journal_page_first 4998 _journal_page_last 5012 _journal_paper_doi 10.1021/acs.chemmater.6b01676 _journal_volume 28 _journal_year 2016 _chemical_formula_moiety 'Al12 Si3.6 P8.4 O48' _chemical_formula_sum 'Al12 O48 P8.4 Si3.6' _chemical_formula_weight 1453.03 _chemical_name_common 'SAPO GME calcined dehydrated' _space_group_IT_number 163 _space_group_name_Hall '-P 3 2c' _space_group_name_H-M_alt 'P -3 1 c' _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-P 3 2c' _symmetry_space_group_name_H-M 'P -3 1 c' _audit_creation_date 2015-03-24T18:25 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2015-03-24T18:25 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_formula_units_Z 1 _cell_length_a 13.8077(5) _cell_length_b 13.8077 _cell_length_c 9.9138(5) _cell_measurement_temperature 295 _cell_volume 1636.87(10) _computing_structure_refinement GSAS _diffrn_ambient_temperature 295 _diffrn_detector 'Linear PSD' _diffrn_radiation_polarisn_ratio 0.55 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 1.54056 _diffrn_source X-ray _exptl_absorpt_coefficient_mu 5.163 _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_crystal_density_diffrn 1.474 _exptl_crystal_F_000 716.4 _pd_block_id 2015-03-24T18:25|SAPO-GME_calcined|Stoe_STADI_P01 _pd_calc_method 'Rietveld Refinement' _pd_char_colour white _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.01 _pd_meas_2theta_range_max 79.99 _pd_meas_2theta_range_min 3.0 _pd_meas_number_of_points 7700 _pd_phase_name 'from C:/gsas/PhD/GME/S819_calc_2/START.cif' _pd_proc_2theta_range_inc 0.01 _pd_proc_2theta_range_max 79.99 _pd_proc_2theta_range_min 3.0 _pd_proc_info_datetime 2015-03-24T18:25:11 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 26 terms. Shifted Chebyshev function of 1st kind 1: 570.812 2: -456.631 3: 113.012 4: 74.2735 5: -69.2110 6: -59.4437 7: 114.538 8: -75.7571 9: -0.181507 10: 52.1859 11: -44.2113 12: -7.51942 13: 40.8125 14: -48.4212 15: 27.2336 16: -0.859033 17: -13.3135 18: 6.59384 19: 6.87684 20: -14.1414 21: 2.57431 22: 8.56599 23: -14.9832 24: 10.1854 25: -2.81875 26: -1.94199 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_ls_profile_function ; CW Profile function number 4 with 16 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 1463.700 #2(GV) = -361.109 #3(GW) = 41.893 #4(GP) = 0.000 #5(LX) = 13.016 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = -2.5346 #9(sfec) = 0.00 #10(S/L) = 0.0169 #11(H/L) = 0.0212 #12(eta) = 0.0000 #13(S400 ) = 0.0E+00 #14(S004 ) = 9.9E-02 #15(S202 ) = -5.7E-02 #16(S211 ) = 0.0E+00 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0413 _pd_proc_ls_prof_wR_expected 0.0385 _pd_proc_ls_prof_wR_factor 0.0534 _pd_proc_number_of_points 7700 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.41 _refine_ls_matrix_type full _refine_ls_number_parameters 52 _refine_ls_number_restraints 8 _refine_ls_R_Fsqd_factor 0.06231 _refine_ls_shift/su_max 0.04 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.200 _reflns_d_resolution_low 11.958 _reflns_limit_h_max 10 _reflns_limit_h_min 0 _reflns_limit_k_max 5 _reflns_limit_k_min 0 _reflns_limit_l_max 8 _reflns_limit_l_min -8 _reflns_number_total 342 _cod_data_source_file cm6b01676_si_001.cif _cod_data_source_block SAPO-GME_calcined_publ _cod_original_cell_volume 1636.86(15) _cod_original_formula_sum 'Al12 O48 P8.40 Si3.60' _cod_database_code 4000010 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -y,x-y,+z 3 y-x,-x,+z 4 +y,+x,+z+1/2 5 -x,y-x,+z+1/2 6 x-y,-y,+z+1/2 -1 -x,-y,-z -2 +y,y-x,-z -3 x-y,+x,-z -4 -y,-x,-z+1/2 -5 +x,x-y,-z+1/2 -6 y-x,+y,-z+1/2 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Al Al1 0.4409(6) 0.1069(6) 0.0852(7) 1.0 Uiso 0.0156(12) 12 O O1 0.7710(6) 0.2000(7) 0.0498(11) 1.0 Uiso 0.0129(21) 12 O O2 0.5575(7) 0.4158(8) 0.0646(11) 1.0 Uiso 0.0129(21) 12 O O3 0.4114(7) 0.0758(8) 0.2540(9) 1.0 Uiso 0.0129(21) 12 O O4 0.3597(7) 0.3389(11) -0.0151(11) 1.0 Uiso 0.0129(21) 12 P P1 -0.4343(4) -0.1000(4) 0.5959(4) 0.7 Uiso 0.0156(12) 12 Si Si1 -0.4343(4) -0.1000(4) 0.5959(4) 0.3 Uiso 0.0156(12) 12 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Al 12.0 0.000 0.000 6.42020 3.03870 1.90020 0.74260 1.59360 31.5472 1.96460 85.0886 1.11510 International_Tables_Vol_C O 48.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C P 8.4 0.000 0.000 6.43450 1.90670 4.17910 27.1570 1.78000 0.52600 1.49080 68.1645 1.11490 International_Tables_Vol_C Si 3.6 0.000 0.000 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100 81.6937 1.14070 International_Tables_Vol_C loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O1 Al1 O2 109.2(6) 3_665 . 2_655 N O1 Al1 O3 107.5(7) 3_665 . 1_555 N O1 Al1 O4 117.2(5) 3_665 . -2_555 N O2 Al1 O3 105.6(7) 2_655 . 1_555 N O2 Al1 O4 116.4(6) 2_655 . -2_555 N O3 Al1 O4 99.4(7) 1_555 . -2_555 N Al1 O1 P1 150.1(8) 2_655 . 6_654 N Al1 O1 Si1 150.1(8) 2_655 . 6_654 N P1 O1 Si1 0.0 6_654 . 6_654 N Al1 O2 P1 142.5(6) 3_665 . 5_554 N Al1 O2 Si1 142.5(6) 3_665 . 5_554 N P1 O2 Si1 0.0 5_554 . 5_554 N Al1 O3 P1 153.6(7) 1_555 . -1_556 N Al1 O3 Si1 153.6(7) 1_555 . -1_556 N P1 O3 Si1 0.0 -1_556 . -1_556 N Al1 O4 P1 136.7(10) -3_555 . 5_554 N Al1 O4 Si1 136.7(10) -3_555 . 5_554 N P1 O4 Si1 0.0 5_554 . 5_554 N O1 P1 O2 98.6(5) 6_455 . 5_555 N O1 P1 O3 113.7(5) 6_455 . -1_556 N O1 P1 O4 96.6(6) 6_455 . 5_555 N O2 P1 O3 110.5(5) 5_555 . -1_556 N O2 P1 O4 110.3(6) 5_555 . 5_555 N O3 P1 O4 123.6(7) -1_556 . 5_555 N O1 Si1 O2 98.6(5) 6_455 . 5_555 N O1 Si1 O3 113.7(5) 6_455 . -1_556 N O1 Si1 O4 96.6(6) 6_455 . 5_555 N O2 Si1 O3 110.5(5) 5_555 . -1_556 N O2 Si1 O4 110.3(6) 5_555 . 5_555 N O3 Si1 O4 123.6(7) -1_556 . 5_555 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Al1 O1 1.808(12) . 3_665 N Al1 O2 1.799(12) . 2_655 N Al1 O3 1.724(7) . 1_555 N Al1 O4 1.758(14) . -2_555 N Al1 P1 3.058(7) . -6_555 N Al1 Si1 3.058(7) . -6_555 N O1 Al1 1.808(12) . 2_655 N O1 P1 1.490(8) . 6_654 N O1 Si1 1.490(8) . 6_654 N O2 Al1 1.799(12) . 3_665 N O2 P1 1.530(8) . 5_554 N O2 Si1 1.530(8) . 5_554 N O3 Al1 1.724(7) . 1_555 N O3 P1 1.524(7) . -1_556 N O3 Si1 1.524(7) . -1_556 N O4 Al1 1.758(14) . -3_555 N O4 P1 1.530(8) . 5_554 N O4 Si1 1.530(8) . 5_554 N P1 Al1 3.058(7) . -6_555 N P1 O1 1.490(8) . 6_455 N P1 O2 1.530(8) . 5_555 N P1 O3 1.524(7) . -1_556 N P1 O4 1.530(8) . 5_555 N Si1 Al1 3.058(7) . -6_555 N Si1 O1 1.490(8) . 6_455 N Si1 O2 1.530(8) . 5_555 N Si1 O3 1.524(7) . -1_556 N Si1 O4 1.530(8) . 5_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 3028.0 0.0 -3988.03052 . 2935.0 0.0 -3863.07251 . 2922.0 0.0 -3740.49951 . 2839.0 0.0 -3620.27563 . 2813.0 0.0 -3502.36621 . 2912.0 0.0 -3386.73022 . 2871.0 0.0 -3273.33423 . 2786.0 0.0 -3162.14990 . 2765.0 0.0 -3053.13232 . 2682.0 0.0 -2946.25415 . 2729.0 0.0 -2841.48340 . 2669.0 0.0 -2738.78052 . 2688.0 0.0 -2638.12012 . 2663.0 0.0 -2539.46826 . 2660.0 0.0 -2442.79102 . 2662.0 0.0 -2348.05664 . 2762.0 0.0 -2255.23975 . 2594.0 0.0 -2164.30396 . 2518.0 0.0 -2075.22192 . 2487.0 0.0 -1987.96252 . 2538.0 0.0 -1902.49841 . 2472.0 0.0 -1818.79871 . 2545.0 0.0 -1736.83472 . 2440.0 0.0 -1656.57874 . 2491.0 0.0 -1578.00623 . 2369.0 0.0 -1501.08496 . 2403.0 0.0 -1425.78882 . 2339.0 0.0 -1352.09412 . 2352.0 0.0 -1279.97107 . 2328.0 0.0 -1209.39648 . 2352.0 0.0 -1140.34204 . 2336.0 0.0 -1072.78284 . 2257.0 0.0 -1006.69818 . 2329.0 0.0 -942.05725 . 2253.0 0.0 -878.83661 . 2401.0 0.0 -817.01862 . 2232.0 0.0 -756.57373 . 2224.0 0.0 -697.47870 . 2184.0 0.0 -639.70966 . 2139.0 0.0 -583.25024 . 2193.0 0.0 -528.07245 . 2132.0 0.0 -474.15625 . 2144.0 0.0 -421.47928 . 2076.0 0.0 -370.01926 . 2165.0 0.0 -319.75674 . 2118.0 0.0 -270.67026 . 2040.0 0.0 -222.73862 . 2046.0 0.0 -175.94150 . 2047.0 0.0 -130.26001 . 2016.0 0.0 -85.67311 . 2054.0 0.0 -42.16179 . 2050.0 0.0 0.29385 . 2049.0 0.0 41.71066 . 1988.0 0.0 82.10961 . 2003.0 0.0 121.50835 . 1991.0 0.0 159.92249 . 1971.0 0.0 197.37505 . 1924.0 0.0 233.87927 . 1904.0 0.0 269.45441 . 1888.0 0.0 304.11621 . 1858.0 0.0 337.88373 . 1900.0 0.0 370.77255 . 1913.0 0.0 402.79761 . 1895.0 0.0 433.97766 . 1813.0 0.0 464.32654 . 1901.0 0.0 493.86014 . 1878.0 0.0 522.59534 . 1749.0 0.0 550.54596 . 1829.0 0.0 577.72742 . 1834.0 0.0 604.15442 . 1873.0 0.0 629.84161 . 1785.0 0.0 654.80438 . 1868.0 0.0 679.05450 . 1835.0 0.0 702.60785 . 1790.0 0.0 725.47723 . 1808.0 0.0 747.67639 . 1751.0 0.0 769.21936 . 1715.0 0.0 790.11749 . 1703.0 0.0 810.38501 . 1731.0 0.0 830.03394 . 1708.0 0.0 849.07788 . 1692.0 0.0 867.52759 . 1717.0 0.0 885.39697 . 1630.0 0.0 902.69659 . 1714.0 0.0 919.43866 . 1678.0 0.0 935.63483 . 1656.0 0.0 951.29559 . 1689.0 0.0 966.43359 . 1638.0 0.0 981.05963 . 1617.0 0.0 995.18359 . 1590.0 0.0 1008.81635 . 1566.0 0.0 1021.96912 . 1649.0 0.0 1034.65186 . 1575.0 0.0 1046.87512 . 1624.0 0.0 1058.64856 . 1620.0 0.0 1069.98169 . 1523.0 0.0 1080.88538 . 1515.0 0.0 1091.36804 . 1514.0 0.0 1101.43945 . 1564.0 0.0 1111.10913 . 1500.0 0.0 1120.38574 . 1549.0 0.0 1129.27881 . 1526.0 0.0 1137.79602 . 1600.0 0.0 1145.94727 . 1501.0 0.0 1153.74060 . 1568.0 0.0 1161.18396 . 1556.0 0.0 1168.28625 . 1495.0 0.0 1175.05542 . 1539.0 0.0 1181.49890 . 1501.0 0.0 1187.62524 . 1436.0 0.0 1193.44104 . 1407.0 0.0 1198.95569 . 1548.0 0.0 1204.17468 . 1511.0 0.0 1209.10657 . 1430.0 0.0 1213.75793 . 1462.0 0.0 1218.13611 . 1382.0 0.0 1222.24780 . 1471.0 0.0 1226.09998 . 1448.0 0.0 1229.69922 . 1363.0 0.0 1233.05237 . 1396.0 0.0 1236.16565 . 1416.0 0.0 1239.04529 . 1380.0 0.0 1241.69788 . 1398.0 0.0 1244.12915 . 1446.0 0.0 1246.34521 . 1399.0 0.0 1248.35229 . 1414.0 0.0 1250.15576 . 1392.0 0.0 1251.76135 . 1359.0 0.0 1253.17517 . 1318.0 0.0 1254.40198 . 1363.0 0.0 1255.44763 . 1384.0 0.0 1256.31714 . 1402.0 0.0 1257.01599 . 1324.0 0.0 1257.54883 . 1379.0 0.0 1257.92102 . 1362.0 0.0 1258.13745 . 1293.0 0.0 1258.20251 . 1366.0 0.0 1258.12158 . 1327.0 0.0 1257.89856 . 1261.0 0.0 1257.53857 . 1337.0 0.0 1257.04578 . 1332.0 0.0 1256.42456 . 1283.0 0.0 1255.67920 . 1335.0 0.0 1254.81409 . 1317.0 0.0 1253.83289 . 1265.0 0.0 1252.74011 . 1307.0 0.0 1251.53931 . 1272.0 0.0 1250.23462 . 1225.0 0.0 1248.82971 . 1281.0 0.0 1247.32825 . 1256.0 0.0 1245.73389 . 1271.0 0.000787 1244.05029 1251.62317 1225.0 0.000816 1242.28076 1249.90723 1260.0 0.000794 1240.42896 1248.10962 1310.0 0.000763 1238.49805 1246.23352 1256.0 0.000796 1236.49121 1244.28198 1304.0 0.000767 1234.41199 1242.25879 1276.0 0.000784 1232.26306 1240.16638 1200.0 0.000833 1230.04797 1238.00854 1224.0 0.000817 1227.76941 1235.78772 1256.0 0.000796 1225.43042 1233.50720 1213.0 0.000824 1223.03345 1231.16931 1210.0 0.000826 1220.58215 1228.77771 1219.0 0.000820 1218.07861 1226.33472 1263.0 0.000792 1215.52576 1223.84302 1262.0 0.000792 1212.92615 1221.30505 1233.0 0.000811 1210.28247 1218.72388 1206.0 0.000829 1207.59680 1216.10144 1201.0 0.000833 1204.87219 1213.44080 1188.0 0.000842 1202.11072 1210.74377 1203.0 0.000831 1199.31470 1208.01318 1138.0 0.000879 1196.48633 1205.25098 1218.0 0.000821 1193.62817 1202.45972 1131.0 0.000884 1190.74194 1199.64111 1190.0 0.000840 1187.83032 1196.79785 1235.0 0.000810 1184.89478 1193.93152 1192.0 0.000839 1181.93750 1191.04431 1169.0 0.000855 1178.96082 1188.13831 1210.0 0.000826 1175.96631 1185.21545 1138.0 0.000879 1172.95581 1182.27771 1199.0 0.000834 1169.93140 1179.32654 1211.0 0.000826 1166.89465 1176.36414 1219.0 0.000820 1163.84741 1173.39197 1185.0 0.000844 1160.79138 1170.41199 1165.0 0.000858 1157.72791 1167.42542 1105.0 0.000905 1154.65894 1164.43433 1178.0 0.000849 1151.58569 1161.43994 1164.0 0.000859 1148.51013 1158.44409 1126.0 0.000888 1145.43335 1155.44812 1142.0 0.000876 1142.35693 1152.45337 1086.0 0.000921 1139.28210 1149.46130 1134.0 0.000882 1136.21057 1146.47363 1142.0 0.000876 1133.14319 1143.49097 1122.0 0.000891 1130.08154 1140.51526 1107.0 0.000903 1127.02649 1137.54712 1154.0 0.000867 1123.97986 1134.58850 1159.0 0.000863 1120.94226 1131.64001 1064.0 0.000940 1117.91516 1128.70325 1125.0 0.000889 1114.89929 1125.77881 1102.0 0.000907 1111.89612 1122.86816 1093.0 0.000915 1108.90637 1119.97217 1039.0 0.000962 1105.93103 1117.09180 1106.0 0.000904 1102.97144 1114.22839 1124.0 0.000890 1100.02783 1111.38232 1102.0 0.000907 1097.10181 1108.55493 1100.0 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332.83005 343.0 0.002915 273.35767 333.89139 359.0 0.002786 273.37387 334.92923 316.0 0.003165 273.39020 335.93402 324.0 0.003086 273.40668 336.89618 320.0 0.003125 273.42328 337.80606 341.0 0.002933 273.44003 338.65555 337.0 0.002967 273.45694 339.43607 354.0 0.002825 273.47397 340.14096 368.0 0.002717 273.49112 340.76395 350.0 0.002857 273.50842 341.30032 338.0 0.002959 273.52585 341.74625 360.0 0.002778 273.54346 342.09976 347.0 0.002882 273.56119 342.35901 332.0 0.003012 273.57901 342.52399 341.0 0.002933 273.59705 342.59521 346.0 0.002890 273.61517 342.57355 374.0 0.002674 273.63348 342.46063 367.0 0.002725 273.65192 342.25854 381.0 0.002625 273.67050 341.96954 373.0 0.002681 273.68921 341.59555 394.0 0.002538 273.70807 341.13922 332.0 0.003012 273.72708 340.60257 340.0 0.002941 273.74622 339.98816 331.0 0.003021 273.76553 339.32928 338.0 0.002959 273.78497 338.56744 340.0 0.002941 273.80453 337.73602 343.0 0.002915 273.82428 336.83823 348.0 0.002874 273.84418 335.87781 355.0 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0.00357 242.27748 271.82095 273.0 0.00366 242.27391 271.80048 268.0 0.00373 242.27151 271.81702 284.0 0.00352 242.27029 271.78192 279.0 0.00358 242.27023 271.73944 291.0 0.003436 242.27132 271.68930 261.0 0.00383 242.27357 271.63159 301.0 0.003322 242.27695 271.56598 275.0 0.00364 242.28146 271.49265 292.0 0.003425 242.28709 271.41147 262.0 0.00382 242.29382 271.32242 279.0 0.00358 242.30167 271.24472 267.0 0.00375 242.31058 271.14014 301.0 0.003322 242.32054 271.02747 291.0 0.003436 242.33156 270.89725 269.0 0.00372 242.34360 270.73254 269.0 0.00372 242.35664 270.61017 286.0 0.003497 242.37068 270.46783 267.0 0.00375 242.38567 270.31824 268.0 0.00373 242.40158 270.17249 265.0 0.00377 242.41840 270.00943 288.0 0.003472 242.43610 269.84012 287.0 0.003484 242.45464 269.66473 267.0 0.00375 242.47398 269.48358 291.0 0.003436 242.49411 269.29736 270.0 0.00370 242.51498 269.10617 265.0 0.00377 242.53656 268.91058 270.0 0.00370 242.55878 268.71155 264.0 0.00379 242.58160 268.50876 292.0 0.003425 242.60503 268.30347 285.0 0.00351 242.62897 268.09616 264.0 0.00379 242.65337 267.88751 269.0 0.00372 242.67821 267.67834 257.0 0.00389 242.70341 267.46939 260.0 0.00385 242.72893 267.26147 273.0 0.00366 242.75470 267.05521 267.0 0.00375 242.78065 266.85205 264.0 0.00379 242.80673 266.65225 246.0 0.00407 242.83286 266.45709 264.0 0.00379 242.85898 266.26724 267.0 0.00375 242.88503 266.08392 268.0 0.00373 242.91090 265.90771 242.0 0.00413 242.93651 265.73956 246.0 0.00407 242.96182 265.58026 279.0 0.00358 242.98672 265.43024 277.0 0.00361 243.01112 265.29099 274.0 0.00365 243.03493 265.16211 266.0 0.00376 243.05806 265.04477 260.0 0.00385 243.08040 264.93958 291.0 0.003436 243.10184 264.84161 268.0 0.00373 243.12230 264.76114 264.0 0.00379 243.14166 264.69354 264.0 0.00379 243.15981 264.64151 280.0 0.00357 243.17661 264.59998 258.0 0.00388 243.19196 264.57181 255.0 0.00392 243.20573 264.55643 265.0 0.00377 243.21780 264.55392 255.0 0.00392 243.22803 264.56403 258.0 0.00388 243.23627 264.58627 257.0 0.00389 243.24240 264.62024 247.0 0.00405 243.24623 264.66553 250.0 0.00400 243.24765 264.72137 241.0 0.00415 243.24651 264.78732 271.0 0.00369 243.24261 264.86227 280.0 0.00357 243.23581 264.94608 236.0 0.00424 243.22594 265.03738 281.0 0.00356 243.21280 265.13550 261.0 0.00383 243.19627 265.23969 236.0 0.00424 243.17607 265.31934 252.0 0.00397 243.15207 265.43253 276.0 0.00362 243.12407 265.54883 268.0 0.00373 243.09186 265.66702 272.0 0.00368 243.05519 265.78647 228.0 0.00439 243.01390 265.90598 259.0 0.00386 242.96777 266.02490 259.0 0.00386 242.91652 266.14233 270.0 0.00370 242.85995 266.25745 249.0 0.00402 242.79782 266.36969 258.0 0.00388 242.72993 266.47794 280.0 0.00357 242.65594 266.58173 268.0 0.00373 242.57561 266.68063 265.0 0.00377 242.48874 266.77390 285.0 0.00351 242.39496 266.86090 270.0 0.00370 242.29402 266.94128 269.0 0.00372 242.18565 267.01770 258.0 0.00388 242.06963 267.08359 245.0 0.00408 241.94550 267.14148 271.0 0.00369 241.81300 267.19107 261.0 0.00383 241.67197 267.23203 284.0 0.00352 241.52180 267.26376 315.0 0.003175 241.36232 267.28610 270.0 0.00370 241.19316 267.29865 274.0 0.00365 241.01408 267.30115 257.0 0.00389 240.82451 267.29306 246.0 0.00407 240.62416 267.27432 241.0 0.00415 240.41283 267.24432 286.0 0.003497 240.18980 267.20306 274.0 0.00365 239.95485 267.15820 254.0 0.00394 239.70755 267.09329 290.0 0.003448 239.44769 267.01666 276.0 0.00362 239.17444 266.93176 271.0 0.00369 238.88757 266.83038 283.0 0.00353 238.58664 266.71640 258.0 0.00388 238.27141 266.50085 266.0 0.00376 237.94093 266.36224 267.0 0.00375 237.59499 266.21115 265.0 0.00377 237.23334 266.04758 260.0 0.00385 236.85493 265.87140 278.0 0.00360 236.45956 265.68271 273.0 0.00366 236.04665 265.48193 290.0 0.003448 235.61601 265.26926 261.0 0.00383 235.16644 265.04459 248.0 0.00403 234.69771 264.80801 256.0 0.00391 234.20958 264.55927 271.0 0.00369 233.70079 264.30002 256.0 0.00391 233.17104 264.02975 262.0 0.00382 232.61977 263.74890 269.0 0.00372 232.04675 263.45792 291.0 0.003436 231.45049 263.15619 271.0 0.00369 230.83075 262.84491 257.0 0.00389 230.18736 262.50784 260.0 0.00385 229.51868 262.17737 259.0 0.00386 228.82446 261.83780 282.0 0.00355 228.10399 261.48947 258.0 0.00388 227.35713 261.13306 257.0 0.00389 226.58203 260.76767 231.0 0.00433 225.77843 260.39410 248.0 0.00403 224.94560 260.01254 270.0 0.00370 224.08339 259.62350 264.0 0.00379 223.18971 259.22623 258.0 0.00388 222.26433 258.82095 275.0 0.00364 221.30716 258.40833 260.0 0.00385 220.31592 257.98697 274.0 0.00365 219.29044 257.55713 242.0 0.00413 218.22978 257.11829 272.0 . . . 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 1 0 0 o 19358.105 19405.285 180.00 11.95781 100.00 1 0 1 o 14161.022 13835.546 0.00 7.63197 59.19 1 1 0 o 20090.922 19832.041 180.00 6.90385 34.28 2 0 0 o 6096.564 4998.375 0.00 5.97891 7.76 2 0 1 o 4704.713 5255.157 0.00 5.11987 8.77 0 0 2 o 60755.28 60173.64 0.00 4.95688 17.56 1 0 2 o 2034.719 2414.751 180.00 4.57905 3.01 2 1 0 o 12216.811 11022.707 0.00 4.51963 17.49 2 1 1 o 17669.600 16918.865 180.00 4.11243 20.86 2 1 -1 o 2491.368 2385.373 0.00 4.11243 2.94 1 1 -2 o 2164.709 2246.716 180.00 4.02652 1.25 1 1 2 o 244.004 252.779 180.00 4.02652 0.13 3 0 0 o 3323.741 3238.212 0.00 3.98594 1.83 2 0 2 o 74.507 36.284 0.00 3.81599 0.08 3 0 1 o -0.737 37.096 0.00 3.69822 0.00 2 2 0 o 22924.879 25559.406 180.00 3.45192 9.42 2 1 -2 o 2093.294 2691.523 0.00 3.33977 1.62 2 1 2 o 542.165 693.367 0.00 3.33977 0.41 3 1 0 o 423.552 384.633 180.00 3.31650 0.32 1 0 3 o 19716.025 18170.053 0.00 3.18520 13.61 3 1 -1 o 1365.376 1285.468 0.00 3.14517 0.92 3 1 1 o 1874.909 1765.547 180.00 3.14517 1.26 3 0 2 o 47.490 35.999 180.00 3.10624 0.03 4 0 0 o 30517.344 28718.711 180.00 2.98945 9.20 2 0 3 o 3536.602 3428.329 0.00 2.89222 2.01 4 0 1 o 17520.816 18026.352 0.00 2.86216 9.69 2 2 -2 o 3811.930 4711.678 180.00 2.83272 1.03 2 2 2 o 505.441 627.800 180.00 2.83272 0.14 3 1 2 o 6.277 13.367 0.00 2.75643 0.00 3 1 -2 o 115.721 266.573 0.00 2.75643 0.06 3 2 0 o 97.896 269.471 0.00 2.74331 0.06 2 1 3 o 8646.347 9003.711 180.00 2.66759 4.09 2 1 -3 o 7884.375 8215.138 0.00 2.66759 3.78 3 2 -1 o 2011.262 2266.309 0.00 2.64395 0.95 3 2 1 o 256.873 288.634 180.00 2.64395 0.12 4 1 0 o 11310.267 10389.431 0.00 2.60941 5.16 4 0 2 o 799.849 713.693 180.00 2.55994 0.35 3 0 3 o 23.852 22.835 0.00 2.54399 0.01 4 1 1 o 563.128 310.258 0.00 2.52346 0.23 4 1 -1 o 139.353 76.670 180.00 2.52346 0.06 0 0 4 o 186.899 1.842 180.00 2.47844 0.01 1 0 4 o 768.177 204.757 0.00 2.42686 0.29 3 2 -2 o 680.760 465.596 180.00 2.40024 0.25 3 2 2 o 203.105 142.152 180.00 2.40024 0.07 5 0 0 o 18.292 6.199 180.00 2.39156 0.01 3 1 3 o 76.715 80.163 180.00 2.34090 0.03 3 1 -3 o 19.761 20.350 180.00 2.34090 0.01 1 1 4 o 1318.701 1326.669 180.00 2.33268 0.22 1 1 -4 o 2.977 2.989 180.00 2.33268 0.00 5 0 1 o 6534.989 6593.431 180.00 2.32487 2.30 4 1 2 o 44.970 47.131 180.00 2.30901 0.01 4 1 -2 o 165.724 176.981 0.00 2.30901 0.06 3 3 0 o 818.035 751.349 0.00 2.30128 0.12 2 0 4 o 186.566 173.415 180.00 2.28952 0.06 4 2 0 o 43.261 158.959 0.00 2.25981 0.02 4 0 3 o 2435.253 3168.751 0.00 2.21692 0.86 4 2 1 o 1059.614 1655.329 0.00 2.20330 0.33 4 2 -1 o 104.567 169.299 180.00 2.20330 0.04 2 1 4 o 5.726 9.169 180.00 2.17314 0.00 2 1 -4 o 38.976 53.871 180.00 2.17314 0.01 5 0 2 o 1393.895 1132.062 0.00 2.15397 0.39 5 1 0 o 94.386 73.099 0.00 2.14769 0.03 3 2 3 o 1.740 0.976 0.00 2.11077 0.00 3 2 -3 o 147.788 117.117 180.00 2.11077 0.04 3 0 4 o 3347.964 2870.801 0.00 2.10474 0.90 5 1 1 o 1851.176 1704.397 180.00 2.09900 0.51 5 1 -1 o 140.108 129.628 0.00 2.09900 0.04 3 3 -2 o 9656.769 8463.823 0.00 2.08730 1.28 3 3 2 o 6711.765 5904.166 0.00 2.08730 0.87 4 2 2 o 79.054 61.901 180.00 2.05621 0.02 4 2 -2 o 346.903 269.194 180.00 2.05621 0.09 4 1 -3 o 633.541 642.528 180.00 2.04792 0.16 4 1 3 o 1208.177 1225.339 0.00 2.04792 0.31 2 2 4 o 1399.808 966.259 0.00 2.01326 0.18 2 2 -4 o 403.280 290.928 180.00 2.01326 0.05 6 0 0 o 2619.017 2048.522 180.00 1.99297 0.32 3 1 4 o 468.934 361.033 180.00 1.98532 0.11 3 1 -4 o 10.282 8.111 180.00 1.98532 0.00 5 1 -2 o 95.945 90.494 180.00 1.97067 0.02 5 1 2 o 258.219 242.488 180.00 1.97067 0.06 4 3 0 o 1133.080 1162.954 180.00 1.96585 0.26 1 0 5 o 6725.453 7218.131 0.00 1.95605 1.56 6 0 1 o 23.099 25.001 0.00 1.95388 0.01 5 0 3 o 11553.399 11194.783 180.00 1.93742 2.71 4 3 -1 o 1477.908 1543.350 180.00 1.92831 0.33 4 3 1 o 529.340 552.610 0.00 1.92831 0.12 5 2 0 o 10959.579 10367.563 180.00 1.91478 2.46 4 0 4 o 690.298 712.354 0.00 1.90799 0.16 5 2 1 o 327.660 337.284 180.00 1.88004 0.07 5 2 -1 o 3.159 3.255 0.00 1.88004 0.00 2 0 5 o 1930.360 1994.475 0.00 1.88197 0.41 4 2 -3 o 294.221 425.366 0.00 1.86536 0.06 4 2 3 o 3.313 9.275 0.00 1.86536 0.00 6 0 2 o 246.581 179.272 0.00 1.84911 0.05 3 2 4 o 72.848 49.288 180.00 1.83905 0.01 3 2 -4 o 18.695 13.556 0.00 1.83905 0.00 4 3 2 o 317.262 312.882 180.00 1.82739 0.06 4 3 -2 o 7.425 7.325 180.00 1.82739 0.00 6 1 0 o 1126.762 1198.391 0.00 1.82355 0.23 2 1 5 o 2749.415 2920.331 180.00 1.81571 0.53 2 1 -5 o 2847.616 3031.702 0.00 1.81571 0.57 5 1 3 o 5.614 4.942 0.00 1.80079 0.00 5 1 -3 o 34.409 30.929 180.00 1.80079 0.01 4 1 4 o 7464.175 6766.542 180.00 1.79704 1.45 4 1 -4 o 3302.312 2989.749 180.00 1.79704 0.65 6 1 1 o 2048.450 1965.407 0.00 1.79346 0.40 6 1 -1 o 6337.626 6090.763 180.00 1.79346 1.20 5 2 2 o 357.323 388.202 180.00 1.78615 0.07 5 2 -2 o 1390.828 1518.872 180.00 1.78615 0.28 3 0 5 o 22.645 28.885 180.00 1.77524 0.00 4 4 0 o 32273.521 32996.633 0.00 1.72596 2.86 5 0 4 o 3202.145 3460.051 0.00 1.72098 0.56 6 1 2 o 57.414 59.235 0.00 1.71141 0.01 6 1 -2 o 54.420 55.905 180.00 1.71141 0.01 5 3 0 o 1688.621 1589.510 180.00 1.70826 0.29 7 0 0 o 244.421 229.980 0.00 1.70826 0.02 6 0 3 o 13.010 11.787 0.00 1.70662 0.00 3 1 -5 o 0.073 0.043 0.00 1.70181 0.00 3 1 5 o 192.420 144.610 180.00 1.70181 0.03 4 3 3 o 0.722 0.559 0.00 1.68950 0.00 4 3 -3 o 83.205 61.100 180.00 1.68950 0.01 3 3 -4 o 6914.576 5280.888 0.00 1.68641 0.58 3 3 4 o 14535.731 11146.578 0.00 1.68641 1.19 5 3 -1 o 691.148 548.810 0.00 1.68345 0.12 7 0 1 o 2.086 1.759 0.00 1.68345 0.00 5 3 1 o 1574.858 1255.677 180.00 1.68345 0.26 4 2 -4 o 288.836 201.920 180.00 1.66988 0.05 4 2 4 o 105.239 72.908 180.00 1.66988 0.02 6 2 0 o 9418.182 8526.334 0.00 1.65825 1.49 5 2 3 o 365.196 345.528 180.00 1.65676 0.06 5 2 -3 o 262.457 248.323 0.00 1.65676 0.04 4 0 5 o 1058.038 1086.179 0.00 1.65235 0.17 0 0 6 o 46851.58 47579.11 180.00 1.65229 1.25 1 0 6 o 2294.115 2938.883 0.00 1.63674 0.36 6 2 1 o 129.611 166.323 0.00 1.63553 0.02 6 2 -1 o 7048.717 9338.389 0.00 1.63553 1.09 4 4 -2 o 17.759 21.289 180.00 1.62998 0.00 4 4 2 o 242.496 321.644 0.00 1.62998 0.02 5 1 -4 o 1.405 1.355 180.00 1.62308 0.00 5 1 4 o 274.711 263.891 0.00 1.62308 0.04 5 3 -2 o 117.942 91.723 180.00 1.61504 0.02 5 3 2 o 39.361 30.059 180.00 1.61504 0.01 7 0 2 o 598.596 466.498 0.00 1.61504 0.09 3 2 -5 o 45.663 40.481 180.00 1.60697 0.01 3 2 5 o 73.449 66.659 0.00 1.60697 0.01 1 1 -6 o 4214.433 3715.789 0.00 1.60691 0.32 1 1 6 o 1.778 1.488 0.00 1.60691 0.00 6 1 3 o 3366.608 3328.336 0.00 1.59659 0.50 6 1 -3 o 12289.084 12150.147 180.00 1.59659 1.81 2 0 6 o 1302.315 1270.241 180.00 1.59260 0.19 7 1 0 o 65.483 56.924 180.00 1.58385 0.01 4 1 5 o 765.936 699.030 0.00 1.57871 0.11 4 1 -5 o 450.440 411.193 180.00 1.57871 0.06 6 2 -2 o 2153.177 2135.651 0.00 1.57259 0.30 6 2 2 o 1834.163 1819.354 0.00 1.57259 0.26 7 1 1 o 882.967 772.095 180.00 1.56402 0.12 7 1 -1 o 58.177 50.833 180.00 1.56402 0.01 6 0 4 o 821.442 732.508 0.00 1.55312 0.11 2 1 6 o 971.799 831.128 180.00 1.55184 0.13 2 1 -6 o 2696.724 2301.134 180.00 1.55184 0.37 4 3 -4 o 221.281 172.211 180.00 1.54018 0.03 4 3 4 o 1466.778 1142.335 180.00 1.54018 0.19 5 4 0 o 4016.325 3337.877 180.00 1.53104 0.54 5 0 5 o 1431.461 1317.615 180.00 1.52639 0.19 3 0 6 o 530.867 485.641 0.00 1.52635 0.07 5 3 -3 o 81.068 80.879 0.00 1.51750 0.01 5 3 3 o 722.089 720.537 180.00 1.51750 0.10 7 0 3 o 2648.424 2642.927 180.00 1.51750 0.34 5 2 4 o 15.072 15.302 0.00 1.51525 0.00 5 2 -4 o 325.615 328.498 0.00 1.51525 0.04 5 4 1 o 694.887 731.109 0.00 1.51310 0.10 5 4 -1 o 9443.771 9903.011 180.00 1.51310 1.23 7 1 2 o 2774.361 3103.239 180.00 1.50871 0.35 7 1 -2 o 69.439 78.011 180.00 1.50871 0.01 6 3 0 o 507.723 562.290 180.00 1.50654 0.07 8 0 0 o 7736.826 7372.311 180.00 1.49473 0.49 4 2 5 o 18.204 18.312 180.00 1.49040 0.00 4 2 -5 o 255.765 257.456 0.00 1.49040 0.03 2 2 -6 o 1628.037 1621.692 0.00 1.49036 0.11 2 2 6 o 5829.804 5807.970 0.00 1.49036 0.36 6 3 -1 o 5.231 5.288 180.00 1.48944 0.00 6 3 1 o 16.180 16.357 180.00 1.48944 0.00 6 2 3 o 7.615 7.311 180.00 1.48211 0.00 6 2 -3 o 5508.186 5389.083 0.00 1.48211 0.69 3 1 -6 o 51.946 50.486 0.00 1.47892 0.01 3 1 6 o 38.032 37.130 180.00 1.47892 0.00 8 0 1 o 7400.467 7194.426 180.00 1.47802 0.91 6 1 -4 o 2161.429 1694.719 180.00 1.46881 0.26 6 1 4 o 13.351 9.436 180.00 1.46881 0.00 5 4 -2 o 109.938 73.313 180.00 1.46285 0.01 5 4 2 o 371.356 253.415 180.00 1.46285 0.04 7 2 0 o 876.199 615.552 0.00 1.46088 0.10 5 1 5 o 1366.379 1066.119 180.00 1.45684 0.15 5 1 -5 o 391.505 301.119 0.00 1.45684 0.05 4 0 6 o 6773.995 7781.956 0.00 1.44611 0.80 7 2 1 o 477.714 561.247 0.00 1.44527 0.06 7 2 -1 o 2278.489 2688.028 180.00 1.44527 0.27 6 3 -2 o 1104.141 1336.387 0.00 1.44144 0.13 6 3 2 o 1.351 2.129 180.00 1.44144 0.00 8 0 2 o 97.103 105.981 180.00 1.43108 0.01 7 1 -3 o 115.557 123.541 0.00 1.42827 0.01 7 1 3 o 778.498 832.269 180.00 1.42827 0.09 4 4 4 o 2550.102 1882.790 180.00 1.41636 0.15 4 4 -4 o 6290.705 4673.533 180.00 1.41636 0.35 3 2 -6 o 1.916 1.355 180.00 1.41539 0.00 3 2 6 o 433.114 326.243 180.00 1.41539 0.05 5 3 4 o 391.426 345.296 0.00 1.40653 0.04 7 0 4 o 1221.851 1080.250 180.00 1.40653 0.13 5 3 -4 o 141.721 124.620 0.00 1.40653 0.02 1 0 7 o 1095.327 961.165 180.00 1.40642 0.12 6 0 5 o 118.643 108.067 0.00 1.40562 0.01 7 2 -2 o 588.053 587.558 180.00 1.40129 0.06 7 2 2 o 595.406 594.892 0.00 1.40129 0.07 8 1 0 o 1763.485 1769.257 180.00 1.39956 0.19 4 3 -5 o 1102.656 1092.738 180.00 1.39600 0.12 4 3 5 o 1632.132 1617.498 0.00 1.39600 0.17 4 1 -6 o 6891.162 6784.423 180.00 1.39597 0.75 4 1 6 o 11920.143 11737.574 180.00 1.39597 1.29 5 4 -3 o 15971.640 14973.104 180.00 1.38919 1.71 5 4 3 o 5605.297 5247.668 0.00 1.38919 0.61 8 1 1 o 2013.365 2006.461 0.00 1.38581 0.22 8 1 -1 o 2704.685 2695.531 180.00 1.38581 0.29 5 5 0 o 307.148 334.332 0.00 1.38077 0.02 6 2 4 o 2.030 2.242 0.00 1.37822 0.00 6 2 -4 o 2.522 2.751 0.00 1.37822 0.00 2 0 7 o 706.794 802.838 180.00 1.37812 0.08 5 2 5 o 80.241 92.833 180.00 1.37736 0.01 5 2 -5 o 361.103 417.517 0.00 1.37736 0.04 6 4 0 o 297.408 363.681 0.00 1.37166 0.03 6 3 3 o 64.429 79.390 180.00 1.37081 0.01 6 3 -3 o 30.955 38.104 0.00 1.37081 0.00 8 0 3 o 3762.955 3936.739 180.00 1.36189 0.40 5 0 6 o 2004.249 2144.184 0.00 1.35941 0.21 6 4 -1 o 63.488 68.185 180.00 1.35871 0.01 6 4 1 o 237.805 254.718 0.00 1.35871 0.02 2 1 -7 o 2551.540 2566.507 180.00 1.35145 0.26 2 1 7 o 1078.395 1084.790 0.00 1.35145 0.11 8 1 -2 o 286.383 272.711 180.00 1.34690 0.03 8 1 2 o 86.040 81.871 180.00 1.34690 0.01 7 3 0 o 142.597 136.284 0.00 1.34536 0.02 6 1 -5 o 3410.711 3348.114 180.00 1.34220 0.34 6 1 5 o 1256.231 1234.064 0.00 1.34220 0.12 3 3 -6 o 2378.529 2339.639 0.00 1.34217 0.12 3 3 6 o 9506.187 9349.178 0.00 1.34217 0.48 7 1 4 o 562.350 541.660 180.00 1.33461 0.05 7 1 -4 o 2089.314 2012.195 0.00 1.33461 0.20 3 0 7 o 273.068 261.440 180.00 1.33452 0.03 4 2 6 o 306.342 288.112 180.00 1.33380 0.03 4 2 -6 o 291.192 274.226 180.00 1.33380 0.03 7 3 1 o 1773.956 1653.853 180.00 1.33314 0.17 7 3 -1 o 3972.208 3697.566 0.00 1.33314 0.39 5 5 2 o 3296.155 2975.114 0.00 1.33013 0.16 5 5 -2 o 41.586 37.668 180.00 1.33013 0.00 7 2 -3 o 525.934 524.690 180.00 1.33614 0.05 7 2 3 o 2166.758 2161.710 0.00 1.33614 0.22 9 0 0 o 37886.83 34819.188 0.00 1.32865 1.84 6 4 2 o 216.063 195.398 180.00 1.32198 0.02 6 4 -2 o 16.839 15.214 0.00 1.32198 0.00 9 0 1 o 4.834 3.513 0.00 1.31687 0.00 5 1 -6 o 421.949 349.801 180.00 1.30958 0.04 5 1 6 o 143.877 119.071 0.00 1.30958 0.01 8 2 0 o 3751.482 3643.121 180.00 1.30470 0.35 5 4 -4 o 1833.532 1927.402 0.00 1.30255 0.17 5 4 4 o 1165.263 1225.606 0.00 1.30255 0.11 3 1 7 o 1424.351 1492.755 0.00 1.30247 0.13 3 1 -7 o 1621.004 1698.290 180.00 1.30247 0.15 7 3 2 o 5.253 7.162 0.00 1.29839 0.00 7 3 -2 o 390.352 466.882 180.00 1.29839 0.04 5 3 -5 o 0.716 0.787 180.00 1.29418 0.00 5 3 5 o 271.337 301.631 180.00 1.29418 0.03 7 0 5 o 5.769 6.472 180.00 1.29418 0.00 8 2 1 o 57.882 61.715 0.00 1.29355 0.01 8 2 -1 o 11.814 12.597 180.00 1.29355 0.00 8 1 -3 o 7518.447 7039.255 180.00 1.28874 0.69 8 1 3 o 3615.432 3382.708 0.00 1.28874 0.33 6 3 4 o 0.607 0.560 180.00 1.28736 0.00 6 3 -4 o 278.065 261.526 0.00 1.28736 0.03 9 0 2 o 8015.629 8035.770 0.00 1.28334 0.72 8 0 4 o 476.947 496.402 0.00 1.27997 0.04 4 0 7 o 15848.451 16170.609 180.00 1.27989 1.43 6 2 5 o 126.173 113.484 180.00 1.27202 0.01 6 2 -5 o 656.044 588.175 0.00 1.27202 0.06 6 0 6 o 4023.703 3593.372 0.00 1.27200 0.35 6 4 3 o 16.273 12.200 0.00 1.26686 0.00 6 4 -3 o 1.065 0.828 0.00 1.26686 0.00 4 3 6 o 52.732 40.614 180.00 1.26486 0.00 4 3 -6 o 61.887 48.527 0.00 1.26486 0.01 8 2 -2 o 178.339 152.836 180.00 1.26173 0.02 8 2 2 o 488.012 415.500 180.00 1.26173 0.04 7 2 -4 o 1445.870 1372.985 180.00 1.25852 0.12 7 2 4 o 114.066 108.514 0.00 1.25852 0.01 3 2 -7 o 1652.156 1533.932 180.00 1.25845 0.14 3 2 7 o 4082.540 3793.368 0.00 1.25845 0.35 9 1 0 o 237.382 229.179 180.00 1.25352 0.02 6 5 0 o 464.569 448.512 0.00 1.25352 0.04 5 2 -6 o 3500.257 3303.526 0.00 1.25094 0.31 5 2 6 o 936.851 884.759 0.00 1.25094 0.08 7 3 -3 o 5201.045 4941.962 0.00 1.24605 0.44 7 3 3 o 8544.582 8116.412 180.00 1.24605 0.73 4 1 -7 o 92.389 92.559 180.00 1.24473 0.01 4 1 7 o 101.451 101.638 0.00 1.24473 0.01 9 1 -1 o 373.833 387.893 0.00 1.24362 0.03 6 5 1 o 1334.313 1384.176 180.00 1.24362 0.12 6 5 -1 o 552.230 572.167 0.00 1.24362 0.05 9 1 1 o 3.443 3.575 180.00 1.24362 0.00 7 4 0 o 967.298 1049.661 180.00 1.23997 0.08 0 0 8 o 507.077 503.218 180.00 1.23922 0.01 7 1 5 o 327.794 335.669 180.00 1.23750 0.03 7 1 -5 o 333.688 341.738 0.00 1.23750 0.03 9 0 3 o 3.836 2.941 180.00 1.23274 0.00 1 0 8 o 225.472 190.832 0.00 1.23262 0.02 7 4 1 o 727.919 588.804 0.00 1.23038 0.06 7 4 -1 o 8.208 6.600 180.00 1.23038 0.00 6 1 6 o 234.206 232.409 180.00 1.22443 0.02 6 1 -6 o 2487.141 2468.216 180.00 1.22443 0.21 1 1 -8 o 82.451 76.911 0.00 1.21973 0.00 1 1 8 o 2544.950 2389.286 180.00 1.21973 0.10 8 1 -4 o 360.168 330.802 0.00 1.21868 0.03 8 1 4 o 708.290 651.042 0.00 1.21868 0.06 5 0 7 o 4628.613 4279.670 0.00 1.21861 0.38 9 1 -2 o 83.057 75.412 180.00 1.21526 0.01 6 5 2 o 36.849 33.377 180.00 1.21526 0.00 9 1 2 o 948.279 859.754 180.00 1.21526 0.08 6 5 -2 o 230.656 208.278 0.00 1.21526 0.02 8 3 0 o 3459.515 3181.874 0.00 1.21413 0.28 8 2 -3 o 406.240 373.524 180.00 1.21354 0.03 8 2 3 o 403.103 370.602 0.00 1.21354 0.03 2 0 8 o 14.192 13.420 0.00 1.21343 0.00 5 4 -5 o 1644.753 1565.948 180.00 1.21181 0.13 5 4 5 o 349.607 332.512 0.00 1.21181 0.03 5 5 -4 o 4670.849 4911.873 180.00 1.20621 0.19 5 5 4 o 252.022 265.271 180.00 1.20621 0.01 8 3 1 o 63.879 65.425 180.00 1.20513 0.00 8 3 -1 o 203.215 208.767 180.00 1.20513 0.02 7 4 -2 o 1542.662 1536.702 180.00 1.20290 0.12 7 4 2 o 1557.303 1551.258 180.00 1.20290 0.12 6 4 -4 o 31.285 30.203 0.00 1.20012 0.00 6 4 4 o 527.045 508.049 180.00 1.20012 0.04 4 2 -7 o 2132.734 2074.548 0.00 1.20006 0.17 4 2 7 o 2445.676 2378.640 180.00 1.20006 0.19 6 3 5 o 54.482 52.383 180.00 1.19955 0.00 6 3 -5 o 95.349 91.705 0.00 1.19955 0.01