#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:06:41 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1185 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000018.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_4000018 loop_ _publ_author_name 'Han, Zhongxia' 'Picone, A. Lorena' 'Slawin, Alexandra M.Z.' 'Seymour, Valerie R.' 'Ashbrook, Sharon E.' 'Zhou, Wuzong' 'Thompson, Stephen P.' 'Parker, Julia E.' 'Wright, Paul A.' _publ_section_title ; Novel Large-Pore Aluminophosphate Molecular Sieve STA-15 Prepared Using the Tetrapropylammonium Cation As a Structure Directing Agent ; _journal_issue 2 _journal_name_full 'Chemistry of Materials' _journal_page_first 338 _journal_page_last 346 _journal_paper_doi 10.1021/cm902528y _journal_volume 22 _journal_year 2010 _chemical_formula_sum 'Al O4 P' _chemical_formula_weight 121.95 _space_group_IT_number 45 _space_group_name_Hall 'I 2 -2c' _space_group_name_H-M_alt 'I b a 2' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'I b a 2' _audit_creation_date 2009-09-29T16:49 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2009-09-29T16:49 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 32 _cell_length_a 14.7696(6) _cell_length_b 27.6372(11) _cell_length_c 8.35796(22) _cell_measurement_temperature 290(2) _cell_volume 3411.6(2) _computing_structure_refinement GSAS _diffrn_ambient_temperature 290(2) _diffrn_measurement_device_type 'lab diffractometer' _diffrn_radiation_polarisn_ratio 0.55 _diffrn_radiation_probe x-ray _diffrn_radiation_type CuK\a _diffrn_radiation_wavelength 1.54056 _diffrn_source_target 'Cu anode' _diffrn_source_type 'sealed tube' _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. ; _pd_block_id 2009-09-29T16:49|STA15C-290|zh|stoe _pd_calc_method 'Rietveld Refinement' _pd_char_colour white _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.02 _pd_meas_2theta_range_max 89.98 _pd_meas_2theta_range_min 5.0 _pd_meas_number_of_points 4250 _pd_phase_name sta-15 _pd_proc_2theta_range_inc 0.02 _pd_proc_2theta_range_max 89.9873 _pd_proc_2theta_range_min 5.0073 _pd_proc_info_datetime 2009-09-29T16:49:24 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 2 with 36 terms. Cosine Fourier series 1: -62736.7 2: 209723. 3: -256364. 4: 30855.7 5: 273308. 6: -276089. 7: -26812.3 8: 284611. 9: -289976. 10: 170165. 11: -104184. 12: 107208. 13: -118590. 14: 112390. 15: -81574.6 16: 40091.3 17: -40914.7 18: 98494.7 19: -120122. 20: 27079.7 21: 101589. 22: -126131. 23: 56878.6 24: -32041.2 25: 94613.6 26: -127326. 27: 39468.6 28: 95874.0 29: -147112. 30: 90120.9 31: -8029.56 32: -28334.9 33: 21200.4 34: -5588.80 35: -643.122 36: 633.657 ; _pd_proc_ls_peak_cutoff 0.00500 _pd_proc_ls_pref_orient_corr ; March-Dollase AXIS 1 Ratio= 0.95422 h= 0.000 k= 0.000 l= 1.000 Prefered orientation correction range: Min= 0.93213, Max= 1.15093 ; _pd_proc_ls_profile_function ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 0.000 #2(GV) = 102.115 #3(GW) = 1.707 #4(LX) = 3.163 #5(LY) = 0.000 #6(trns) = 0.000 #7(asym) = 1.9451 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 11.68 #11(ptec)= -2.69 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.001 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.001 #18(L23) = -0.001 Peak tails are ignored where the intensity is below 0.0050 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0663 _pd_proc_ls_prof_wR_expected 0.0305 _pd_proc_ls_prof_wR_factor 0.0915 _pd_proc_number_of_points 4250 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 3.19 _refine_ls_matrix_type full _refine_ls_number_parameters 115 _refine_ls_number_restraints 80 _refine_ls_R_Fsqd_factor 0.14440 _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.200 _reflns_d_resolution_low 13.819 _reflns_limit_h_max 12 _reflns_limit_h_min 0 _reflns_limit_k_max 23 _reflns_limit_k_min 0 _reflns_limit_l_max 6 _reflns_limit_l_min 0 _reflns_number_total 581 _cod_data_source_file cm902528y_si_003.cif _cod_data_source_block STA15C-290_publ _cod_original_cell_volume 3411.63(25) _cod_database_code 4000018 _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 -x+1/2,+y+1/2,+z 3 +x+1/2,-y+1/2,+z 4 -x,-y,+z 101 +x+1/2,+y+1/2,+z+1/2 102 -x,+y,+z+1/2 103 +x,-y,+z+1/2 104 -x+1/2,-y+1/2,+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 P P1 0.9001(9) 0.7795(4) 0.0397(13) 1.0 Uiso 0.0146(12) 8 P P2 0.9052(8) 0.6719(4) 0.5384(14) 1.0 Uiso 0.0146(12) 8 P P3 0.7215(7) 0.6394(4) 0.0292(12) 1.0 Uiso 0.0146(12) 8 P P4 0.3984(8) 0.5550(4) 0.0255(14) 1.0 Uiso 0.0146(12) 8 Al Al1 0.9070(10) 0.7783(4) 0.6646(13) 1.0 Uiso 0.0146(12) 8 Al Al2 0.8991(8) 0.6743(4) 0.1608(14) 1.0 Uiso 0.0146(12) 8 Al Al3 0.5967(9) 0.5546(4) 0.1442(15) 1.0 Uiso 0.0146(12) 8 Al Al4 0.2729(8) 0.6375(4) 0.1548(12) 1.0 Uiso 0.0146(12) 8 O O1 0.8758(14) 0.7332(4) 0.1237(20) 1.0 Uiso 0.0394(24) 8 O O2 0.9887(11) 0.7979(5) 0.1040(25) 1.0 Uiso 0.0394(24) 8 O O3 0.8244(12) 0.8150(6) 0.0611(19) 1.0 Uiso 0.0394(24) 8 O O4 0.9077(10) 0.7699(5) 0.8651(12) 1.0 Uiso 0.0394(24) 8 O O5 0.8846(14) 0.7231(4) 0.5805(21) 1.0 Uiso 0.0394(24) 8 O O6 0.8394(9) 0.6363(6) 0.6096(20) 1.0 Uiso 0.0394(24) 8 O O7 0.8985(10) 0.6670(5) 0.3616(12) 1.0 Uiso 0.0394(24) 8 O O8 0.0014(9) 0.6572(5) 0.0878(23) 1.0 Uiso 0.0394(24) 8 O O9 0.8190(9) 0.6373(6) 0.0795(21) 1.0 Uiso 0.0394(24) 8 O O10 0.6736(13) 0.6808(6) 0.1110(21) 1.0 Uiso 0.0394(24) 8 O O11 0.7140(11) 0.6467(6) 0.8536(11) 1.0 Uiso 0.0394(24) 8 O O12 0.6791(12) 0.5919(6) 0.0714(22) 1.0 Uiso 0.0394(24) 8 O O13 0.4902(10) 0.5722(6) 0.0848(25) 1.0 Uiso 0.0394(24) 8 O O14 0.3827(12) 0.5033(5) 0.0802(22) 1.0 Uiso 0.0394(24) 8 O O15 0.3228(12) 0.5857(7) 0.0916(22) 1.0 Uiso 0.0394(24) 8 O O16 0.3955(10) 0.5566(5) 0.8473(14) 1.0 Uiso 0.0394(24) 8 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 P 32.0 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 Al 32.0 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 128.0 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 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 P1 O2 109.2(9) 1_555 . 1_555 N O1 P1 O3 108.8(9) 1_555 . 1_555 N O1 P1 O4 108.8(9) 1_555 . 1_554 N O2 P1 O3 112.7(9) 1_555 . 1_555 N O2 P1 O4 110.2(10) 1_555 . 1_554 N O3 P1 O4 107.0(9) 1_555 . 1_554 N O5 P2 O6 113.3(9) 1_555 . 1_555 N O5 P2 O7 107.9(9) 1_555 . 1_555 N O5 P2 O8 112.4(9) 1_555 . 102_545 N O6 P2 O7 106.9(9) 1_555 . 1_555 N O6 P2 O8 108.0(9) 1_555 . 102_545 N O7 P2 O8 108.1(10) 1_555 . 102_545 N O9 P3 O10 110.7(9) 1_555 . 1_555 N O9 P3 O11 110.7(9) 1_555 . 1_554 N O9 P3 O12 107.5(9) 1_555 . 1_555 N O10 P3 O11 108.0(9) 1_555 . 1_554 N O10 P3 O12 111.2(9) 1_555 . 1_555 N O11 P3 O12 108.7(9) 1_554 . 1_555 N O13 P4 O14 109.5(9) 1_555 . 1_555 N O13 P4 O15 111.4(9) 1_555 . 1_555 N O13 P4 O16 110.0(10) 1_555 . 1_554 N O14 P4 O15 107.8(9) 1_555 . 1_555 N O14 P4 O16 109.0(10) 1_555 . 1_554 N O15 P4 O16 109.1(9) 1_555 . 1_554 N O2 Al1 O4 109.3(9) 102_645 . 1_555 N O2 Al1 O5 109.6(8) 102_645 . 1_555 N O2 Al1 O10 110.0(8) 102_645 . 104_665 N O4 Al1 O5 106.6(8) 1_555 . 1_555 N O4 Al1 O10 110.9(8) 1_555 . 104_665 N O5 Al1 O10 110.4(8) 1_555 . 104_665 N O1 Al2 O7 107.3(8) 1_555 . 1_555 N O1 Al2 O8 112.5(8) 1_555 . 1_655 N O1 Al2 O9 111.3(8) 1_555 . 1_555 N O7 Al2 O8 109.1(9) 1_555 . 1_655 N O7 Al2 O9 108.7(8) 1_555 . 1_555 N O8 Al2 O9 107.9(7) 1_655 . 1_555 N O12 Al3 O13 112.2(8) 1_555 . 1_555 N O12 Al3 O14 109.0(8) 1_555 . 4_665 N O12 Al3 O16 106.7(8) 1_555 . 102_544 N O13 Al3 O14 109.6(8) 1_555 . 4_665 N O13 Al3 O16 109.9(8) 1_555 . 102_544 N O14 Al3 O16 109.3(9) 4_665 . 102_544 N O3 Al4 O6 110.3(8) 3_465 . 102_544 N O3 Al4 O11 106.5(8) 3_465 . 102_544 N O3 Al4 O15 108.3(8) 3_465 . 1_555 N O6 Al4 O11 109.4(8) 102_544 . 102_544 N O6 Al4 O15 109.8(8) 102_544 . 1_555 N O11 Al4 O15 112.5(8) 102_544 . 1_555 N P1 O1 Al2 148.9(12) 1_555 . 1_555 N P1 O2 Al1 141.6(10) 1_555 . 102_644 N P1 O3 Al4 153.0(12) 1_555 . 3_565 N P1 O4 Al1 161.1(11) 1_556 . 1_555 N P2 O5 Al1 154.7(12) 1_555 . 1_555 N P2 O6 Al4 134.8(10) 1_555 . 102_545 N P2 O7 Al2 167.2(12) 1_555 . 1_555 N P2 O8 Al2 147.7(11) 102_544 . 1_455 N P3 O9 Al2 138.9(11) 1_555 . 1_555 N P3 O10 Al1 162.0(13) 1_555 . 104_664 N P3 O11 Al4 160.2(11) 1_556 . 102_545 N P3 O12 Al3 155.8(13) 1_555 . 1_555 N P4 O13 Al3 145.3(11) 1_555 . 1_555 N P4 O14 Al3 160.9(12) 1_555 . 4_665 N P4 O15 Al4 155.8(14) 1_555 . 1_555 N P4 O16 Al3 173.4(12) 1_556 . 102_545 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 P1 Al1 3.034(11) . 102_754 N P1 Al2 3.080(12) . 1_555 N P1 O1 1.504(7) . 1_555 N P1 O2 1.502(7) . 1_555 N P1 O3 1.496(7) . 1_555 N P1 O4 1.488(7) . 1_554 N P2 Al2 3.068(11) . 102_755 N P2 Al4 2.961(13) . 102_655 N P2 O5 1.490(7) . 1_555 N P2 O6 1.505(7) . 1_555 N P2 O7 1.487(7) . 1_555 N P2 O8 1.496(7) . 102_655 N P3 Al2 3.003(13) . 1_555 N P3 O9 1.501(7) . 1_555 N P3 O10 1.508(7) . 1_555 N P3 O11 1.486(7) . 1_554 N P3 O12 1.497(7) . 1_555 N P4 O13 1.520(7) . 1_555 N P4 O14 1.517(7) . 1_555 N P4 O15 1.507(7) . 1_555 N P4 O16 1.491(7) . 1_554 N Al1 P1 3.034(11) . 102_755 N Al1 O2 1.711(7) . 102_755 N Al1 O4 1.692(7) . 1_555 N Al1 O5 1.712(7) . 1_555 N Al1 O10 1.703(7) . 104_665 N Al2 P1 3.080(12) . 1_555 N Al2 P2 3.068(11) . 102_754 N Al2 P3 3.003(13) . 1_555 N Al2 O1 1.692(7) . 1_555 N Al2 O7 1.690(7) . 1_555 N Al2 O8 1.697(7) . 1_655 N Al2 O9 1.706(7) . 1_555 N Al3 O12 1.707(7) . 1_555 N Al3 O13 1.720(7) . 1_555 N Al3 O14 1.715(7) . 4_665 N Al3 O16 1.702(7) . 102_654 N Al4 P2 2.961(13) . 102_654 N Al4 O3 1.708(7) . 3_465 N Al4 O6 1.701(7) . 102_654 N Al4 O11 1.692(7) . 102_654 N Al4 O15 1.695(7) . 1_555 N O1 P1 1.504(7) . 1_555 N O1 Al2 1.692(7) . 1_555 N O2 P1 1.502(7) . 1_555 N O2 Al1 1.711(7) . 102_754 N O3 P1 1.496(7) . 1_555 N O3 Al4 1.708(7) . 3_565 N O4 P1 1.488(7) . 1_556 N O4 Al1 1.692(7) . 1_555 N O5 P2 1.490(7) . 1_555 N O5 Al1 1.712(7) . 1_555 N O6 P2 1.505(7) . 1_555 N O6 Al4 1.701(7) . 102_655 N O7 P2 1.487(7) . 1_555 N O7 Al2 1.690(7) . 1_555 N O8 P2 1.496(7) . 102_654 N O8 Al2 1.697(7) . 1_455 N O9 P3 1.501(7) . 1_555 N O9 Al2 1.706(7) . 1_555 N O10 P3 1.508(7) . 1_555 N O10 Al1 1.703(7) . 104_664 N O11 P3 1.486(7) . 1_556 N O11 Al4 1.692(7) . 102_655 N O12 P3 1.497(7) . 1_555 N O12 Al3 1.707(7) . 1_555 N O13 P4 1.520(7) . 1_555 N O13 Al3 1.720(7) . 1_555 N O14 P4 1.517(7) . 1_555 N O14 Al3 1.715(7) . 4_665 N O15 P4 1.507(7) . 1_555 N O15 Al4 1.695(7) . 1_555 N O16 P4 1.491(7) . 1_556 N O16 Al3 1.702(7) . 102_655 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 1596.0 0.0 1197.05823 . 1533.0 0.0 1194.65540 . 1559.0 0.0 1192.25916 . 1525.0 0.0 1189.91919 . 1502.0 0.0 1187.56030 . 1449.0 0.0 1185.22253 . 1364.0 0.0 1182.87793 . 1377.0 0.0 1180.55164 . 1318.0 0.0 1178.23987 . 1376.0 0.0 1175.96826 . 1309.0 0.0 1173.71606 . 1283.0 0.0 1171.40625 . 1299.0 0.0 1169.14990 . 1242.0 0.0 1166.89160 . 1187.0 0.0 1164.66626 . 1303.0 0.0 1162.42200 . 1247.0 0.0 1160.23242 . 1191.0 0.0 1158.05481 . 1163.0 0.0 1155.85217 . 1169.0 0.0 1153.68896 . 1191.0 0.0 1151.55383 . 1225.0 0.0 1149.41919 . 1124.0 0.0 1147.26965 . 1104.0 0.0 1145.21521 . 1296.0 0.0 1143.06750 . 1112.0 0.0 1141.00586 . 1129.0 0.000886 1138.90942 1318.88354 1151.0 0.000869 1136.85205 1326.17126 1191.0 0.000840 1134.80908 1334.20386 1214.0 0.000824 1132.77454 1343.06372 1055.0 0.000948 1130.77185 1352.87378 1131.0 0.000884 1128.73584 1363.70496 1124.0 0.000890 1126.75928 1375.72729 1159.0 0.000863 1124.78455 1389.06055 1257.0 0.000796 1122.81921 1403.85449 1258.0 0.000795 1120.85303 1420.31360 1280.0 0.000781 1118.92578 1438.67786 1327.0 0.000754 1117.00854 1459.19800 1520.0 0.000658 1115.08496 1482.18665 1519.0 0.000658 1113.16882 1508.01392 1651.0 0.000606 1111.27905 1537.14600 1574.0 0.000635 1109.44238 1570.13843 1749.0 0.000572 1107.54663 1607.63049 1879.0 0.000532 1105.72693 1650.45093 1924.0 0.000520 1103.90503 1699.56836 2049.0 0.000488 1102.03540 1756.26147 2188.0 0.000457 1100.27124 1822.14685 2409.0 0.000415 1098.48767 1899.22998 2690.0 0.000372 1096.72620 1990.21094 2875.0 0.0003478 1094.96802 2098.69116 2985.0 0.0003350 1093.17517 2229.66162 3361.0 0.0002975 1091.49292 2390.62427 3637.0 0.0002750 1089.71265 2673.03613 4068.0 0.0002458 1088.04590 2938.25464 4313.0 0.0002319 1086.31311 3287.53491 4747.0 0.0002107 1084.61279 3757.65820 5349.0 0.0001870 1083.02258 4398.86865 5840.0 0.0001712 1081.33899 5274.06445 6517.0 0.0001534 1079.66675 6449.91113 7560.0 0.0001323 1078.06970 7965.23047 8571.0 0.0001167 1076.42224 9787.88672 9864.0 0.0001014 1074.80737 11860.44434 11393.0 0.0000878 1073.21509 14225.08105 13473.0 0.0000742 1071.66675 16862.75000 16168.0 0.0000619 1070.08838 19360.74023 19849.0 0.0000504 1068.52893 21192.31836 23577.0 0.0000424 1066.96741 22348.54883 27347.0 0.0000366 1065.44580 22964.94727 28617.0 0.00003494 1063.95325 22693.00000 25942.0 0.0000385 1062.44861 21014.42383 20494.0 0.0000488 1060.98083 18021.66211 15070.0 0.0000664 1059.47668 14567.80859 10816.0 0.0000925 1057.99756 11463.34668 8459.0 0.0001182 1056.54724 9037.96777 7102.0 0.0001408 1055.12305 7301.61133 6588.0 0.0001518 1053.70056 6157.10986 6760.0 0.0001479 1052.26978 5520.57080 7102.0 0.0001408 1050.88318 5400.31396 7765.0 0.0001288 1049.49292 5946.52734 8724.0 0.0001146 1048.11121 7417.93750 10100.0 0.0000990 1046.71960 9960.92773 11483.0 0.0000871 1045.38501 13299.82227 13437.0 0.0000744 1044.05127 16829.81445 16193.0 0.0000618 1042.71948 19685.91016 19637.0 0.0000509 1041.41138 22273.75781 24549.0 0.0000407 1040.08154 25435.12891 29368.0 0.00003405 1038.78796 28751.58008 31903.0 0.00003135 1037.47144 30986.30859 30069.0 0.00003326 1036.25110 30035.58594 23938.0 0.0000418 1034.97107 24408.89258 16020.0 0.0000624 1033.71094 16530.67188 9915.0 0.0001009 1032.43054 10011.84082 5939.0 0.0001684 1031.25684 6025.12256 3794.0 0.0002636 1030.03088 4028.13330 2701.0 0.000370 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0.001017 379.05246 1157.23828 1012.0 0.000988 379.43466 1091.13293 980.0 0.001020 379.55789 1000.42993 814.0 0.001229 379.65808 901.34906 771.0 0.001297 379.82324 806.11017 674.0 0.001484 379.84351 721.34375 697.0 0.001435 380.26300 649.94861 604.0 0.001656 380.32938 591.07037 605.0 0.001653 380.51172 543.97034 557.0 0.001795 380.88699 507.24915 496.0 0.002016 380.94522 478.79144 503.0 0.001988 381.21564 458.82172 483.0 0.002070 381.43860 443.66031 454.0 0.002203 381.59476 433.71442 438.0 0.002283 381.68326 428.29800 451.0 0.002217 381.98877 427.03503 480.0 0.002083 382.23373 429.09940 467.0 0.002141 382.39658 433.66916 485.0 0.002062 382.71848 440.25967 489.0 0.002045 382.99808 447.41592 526.0 0.001901 383.09088 453.78238 550.0 0.001818 383.60168 458.57831 514.0 0.001946 383.58713 459.90820 545.0 0.001835 383.91559 459.38745 507.0 0.001972 384.14575 455.90054 517.0 0.001934 384.35416 452.10400 478.0 0.002092 384.82419 447.26633 517.0 0.001934 385.08530 441.98447 505.0 0.001980 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426.0 . . . 427.0 . . . 432.0 . . . 446.0 . . . 456.0 . . . 445.0 . . . 457.0 . . . 471.0 . . . 406.0 . . . 411.0 . . . 445.0 . . . 414.0 . . . 450.0 . . . 451.0 . . . 451.0 . . . 442.0 . . . 460.0 . . . 458.0 . . . 440.0 . . . 452.0 . . . 472.0 . . . 452.0 . . . 433.0 . . . 414.0 . . . 456.0 . . . 426.0 . . . 427.0 . . . 437.0 . . . 421.0 . . . 396.0 . . . 408.0 . . . 405.0 . . . 399.0 . . . 403.0 . . . 389.0 . . . 439.0 . . . 428.0 . . . 391.0 . . . 411.0 . . . 376.0 . . . 382.0 . . . 394.0 . . . 411.0 . . . 369.0 . . . 365.0 . . . 392.0 . . . 393.0 . . . 371.0 . . . 409.0 . . . 429.0 . . . 379.0 . . . 389.0 . . . 413.0 . . . 408.0 . . . 400.0 . . . 411.0 . . . 404.0 . . . 398.0 . . . 410.0 . . . 424.0 . . . 396.0 . . . 399.0 . . . 427.0 . . . 427.0 . . . 431.0 . . . 403.0 . . . 444.0 . . . 438.0 . . . 421.0 . . . 402.0 . . . 413.0 . . . 431.0 . . . 435.0 . . . 429.0 . . . 420.0 . . . 393.0 . . . 434.0 . . . 392.0 . . . 397.0 . . . 400.0 . . . 446.0 . . . 428.0 . . . 439.0 . . . 409.0 . . . 430.0 . . . 375.0 . . . 379.0 . . . 394.0 . . . 438.0 . . . 426.0 . . . 414.0 . . . 390.0 . . . 398.0 . . . 430.0 . . . 467.0 . . . 458.0 . . . 473.0 . . . 444.0 . . . 480.0 . . . 463.0 . . . 452.0 . . . 448.0 . . . 495.0 . . . 498.0 . . . 466.0 . . . 471.0 . . . 474.0 . . . 490.0 . . . 461.0 . . . 493.0 . . . 460.0 . . . 459.0 . . . 458.0 . . . 423.0 . . . 422.0 . . . 395.0 . . . 417.0 . . . 398.0 . . . 431.0 . . . 423.0 . . . 405.0 . . . 432.0 . . . 430.0 . . . 422.0 . . . 406.0 . . . 426.0 . . . 425.0 . . . 426.0 . . . 442.0 . . . 465.0 . . . 460.0 . . . 460.0 . . . 443.0 . . . 437.0 . . . 440.0 . . . 422.0 . . . 454.0 . . . 425.0 . . . 419.0 . . . 430.0 . . . 441.0 . . . 432.0 . . . 397.0 . . . 422.0 . . . 406.0 . . . 397.0 . . . 415.0 . . . 410.0 . . . 382.0 . . . 395.0 . . . 405.0 . . . 396.0 . . . 397.0 . . . 389.0 . . . 396.0 . . . 409.0 . . . 388.0 . . . 398.0 . . . 374.0 . . . 402.0 . . . 405.0 . . . 395.0 . . . 414.0 . . . 417.0 . . . 387.0 . . . 388.0 . . . 381.0 . . . 409.0 . . . 390.0 . . . 401.0 . . . 414.0 . . . 383.0 . . . 403.0 . . . 391.0 . . . 387.0 . . . 395.0 . . . 379.0 . . . 403.0 . . . 401.0 . . . 386.0 . . . 371.0 . . . 384.0 . . . 384.0 . . . 390.0 . . . 393.0 . . . 398.0 . . . 407.0 . . . 408.0 . . . 417.0 . . . 400.0 . . . 344.0 . . . 373.0 . . . 362.0 . . . 400.0 . . . 363.0 . . . 402.0 . . . 392.0 . . . 391.0 . . . 388.0 . . . 372.0 . . . 347.0 . . . 378.0 . . . 378.0 . . . 403.0 . . . 414.0 . . . 361.0 . . . 352.0 . . . 365.0 . . . 392.0 . . . 361.0 . . . 406.0 . . . 376.0 . . . 370.0 . . . 370.0 . . . 379.0 . . . 394.0 . . . 380.0 . . . 415.0 . . . 409.0 . . . 384.0 . . . 404.0 . . . 375.0 . . . 407.0 . . . 395.0 . . . 390.0 . . . 388.0 . . . 392.0 . . . 411.0 . . . 394.0 . . . 366.0 . . . 364.0 . . . 382.0 . . . 375.0 . . . 392.0 . . . 363.0 . . . 375.0 . . . 347.0 . . . 355.0 . . . 359.0 . . . 376.0 . . . 389.0 . . . 365.0 . . . 359.0 . . . 366.0 . . . 355.0 . . . 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 0 2 0 o 168633.84 161180.94 180.00 13.81860 100.00 1 1 0 o 75171.70 78610.04 0.00 13.02616 79.37 1 3 0 o 74247.53 75485.95 0.00 7.81652 28.01 2 0 0 o 10.048 6.825 180.00 7.38479 0.00 0 4 0 o 29297.854 28232.773 180.00 6.90930 4.29 2 2 0 o 2707.919 1779.733 -180.00 6.51308 0.70 1 2 1 o 418.956 214.791 177.10 6.43672 0.24 2 1 1 o -12.586 364.461 150.25 5.42635 0.00 1 5 0 o -1.286 7.548 -180.00 5.17679 0.00 2 4 0 o 129039.22 126255.26 0.00 5.04534 20.00 1 4 1 o 12.820 15.969 -58.61 5.00959 0.00 3 1 0 o 33837.539 34202.180 -180.00 4.84689 4.83 2 3 1 o -15.225 503.516 26.33 4.74392 0.00 0 6 0 o 18762.555 22279.006 0.00 4.60620 1.22 3 3 0 o 3845.480 246.572 0.00 4.34205 0.43 0 0 2 o 902579.3 887418.2 61.71 4.17898 58.50 3 2 1 o 112202.70 102015.22 139.43 4.05520 23.17 0 2 2 o 33751.133 32020.807 -103.65 4.00007 3.93 1 1 2 o 20404.988 20108.438 53.64 3.97922 4.68 2 6 0 o 14267.705 13822.287 180.00 3.90826 1.31 2 5 1 o 99779.95 96096.32 141.42 3.91083 19.08 1 6 1 o 62268.69 62605.73 138.33 3.89157 11.79 1 7 0 o 204767.48 207108.33 -180.00 3.81424 17.78 4 0 0 o 226655.33 207213.39 180.00 3.69239 9.18 1 3 2 o 19030.893 17919.725 58.14 3.68534 3.62 3 5 0 o 673.533 675.390 0.00 3.67636 0.06 2 0 2 o 243.279 282.042 164.17 3.63702 0.02 3 4 1 o 11331.849 11902.862 -32.16 3.61502 1.83 0 4 2 o 10553.231 9051.383 -130.44 3.57580 0.93 4 2 0 o 14431.701 12883.251 0.00 3.56724 1.09 2 2 2 o -22.667 636.938 -81.84 3.51723 0.00 0 8 0 o 20224.549 34040.586 180.00 3.45465 0.73 4 1 1 o 2927.826 6699.694 123.06 3.35254 0.42 4 4 0 o 124223.02 115855.10 180.00 3.25654 7.72 1 5 2 o 175.338 161.950 108.77 3.25170 0.02 2 4 2 o 23309.072 23163.783 63.46 3.21836 3.22 2 7 1 o 2817.019 2907.572 -43.21 3.21406 0.35 4 3 1 o 1112.238 1051.532 145.91 3.17108 0.14 3 1 2 o 8220.204 7479.450 -141.84 3.16500 1.09 2 8 0 o 98916.98 77159.70 -180.00 3.12918 5.63 1 8 1 o 6992.611 5764.911 -34.04 3.12059 0.81 3 6 1 o 17129.805 14122.654 135.34 3.12036 1.99 3 7 0 o 386.153 277.545 -180.00 3.08007 0.02 0 6 2 o 5411.478 3888.781 54.47 3.09503 0.34 1 9 0 o 45004.13 20060.563 0.00 3.00651 2.33 3 3 2 o 1592.927 916.604 -32.65 3.01099 0.18 5 1 0 o 2053.760 324.033 0.00 2.93719 0.10 4 5 1 o 5123.147 10027.829 124.54 2.88204 0.52 4 6 0 o 4508.586 8734.756 0.00 2.88101 0.22 2 6 2 o -4.101 114.809 -136.49 2.85447 0.00 1 7 2 o 43155.85 43785.28 -119.17 2.81722 4.35 5 3 0 o 168917.36 165487.88 -180.00 2.81285 7.68 4 0 2 o 27292.449 31283.412 -120.16 2.76703 1.34 0 10 0 o 71261.41 86119.57 180.00 2.76372 1.59 3 5 2 o 199.950 253.684 166.98 2.76027 0.02 5 2 1 o 2724.175 3012.360 -63.44 2.73019 0.24 4 2 2 o 3553.849 3733.249 86.09 2.71318 0.33 2 9 1 o 134.471 185.213 11.64 2.68512 0.01 3 8 1 o 4038.979 4297.438 130.00 2.67871 0.34 1 2 3 o 64.160 88.276 -84.50 2.68551 0.01 0 8 2 o 9884.459 8953.384 -126.83 2.66264 0.44 3 9 0 o 5045.190 3736.814 0.00 2.60551 0.19 2 1 3 o 503.689 500.716 -176.34 2.59514 0.05 5 5 0 o 204.321 152.833 180.00 2.60523 0.01 2 10 0 o 2796.525 2791.843 0.00 2.58839 0.11 1 10 1 o 5034.931 5168.199 -58.33 2.58353 0.39 5 4 1 o 733.706 786.525 80.35 2.58313 0.06 4 4 2 o 29817.023 31483.615 -117.89 2.56870 2.42 4 7 1 o 4204.540 4391.625 -44.58 2.56652 0.32 1 4 3 o 2829.970 4128.588 26.00 2.54519 0.24 4 8 0 o 44615.51 35323.13 0.00 2.52267 1.63 2 3 3 o 692.590 618.279 145.70 2.50819 0.06 2 8 2 o 25239.859 22383.971 -114.20 2.50480 1.92 3 7 2 o 318.104 323.197 -74.65 2.47939 0.02 1 11 0 o 36732.93 38376.57 180.00 2.47689 1.32 6 0 0 o 62077.75 66556.73 180.00 2.46160 1.11 1 9 2 o 3807.174 2081.258 64.47 2.44054 0.27 6 2 0 o 11822.274 9064.495 0.00 2.42345 0.39 5 1 2 o 469.952 359.031 75.52 2.40302 0.03 3 2 3 o 71303.73 69773.42 -164.17 2.38819 5.40 5 6 1 o 1390.034 1372.032 123.35 2.38330 0.09 4 6 2 o 339.573 513.426 56.85 2.37196 0.02 2 5 3 o 26946.525 28312.246 -164.39 2.35765 2.04 5 7 0 o 34426.930 48174.66 0.00 2.36520 1.15 1 6 3 o 63413.15 68612.23 -165.36 2.35341 4.61 6 1 1 o 3749.142 4104.266 -50.94 2.35274 0.24 5 3 2 o 25376.924 22905.082 -123.51 2.33349 1.65 3 10 1 o 1249.410 608.095 152.40 2.31562 0.07 6 4 0 o 48485.92 28315.580 180.00 2.31883 1.40 0 10 2 o 2147.497 538.325 174.09 2.30521 0.07 0 12 0 o 358.826 130.758 0.00 2.30310 0.00 3 4 3 o 10680.491 10788.907 36.25 2.28789 0.73 2 11 1 o 1105.808 1118.723 129.42 2.28774 0.07 6 3 1 o 4656.050 4787.496 -72.51 2.28737 0.27 4 9 1 o 4226.683 6319.094 120.28 2.27209 0.25 3 11 0 o 8838.134 2592.112 -180.00 2.23790 0.23 4 1 3 o 1680.643 666.859 166.86 2.21679 0.11 4 10 0 o 170.431 94.833 0.00 2.21258 0.00 3 9 2 o 2803.061 1882.935 72.22 2.21097 0.15 5 5 2 o 624.772 421.187 -177.28 2.21081 0.04 2 10 2 o 67.790 132.387 136.44 2.20049 0.00 2 12 0 o 1632.670 3123.864 0.00 2.19866 0.05 1 12 1 o 88.031 130.305 105.08 2.19567 0.00 2 7 3 o 365.625 364.807 135.20 2.17532 0.02 6 5 1 o 1745.961 2089.209 -18.99 2.17147 0.09 5 8 1 o 1593.595 2108.770 -53.70 2.16823 0.08 6 6 0 o 70.249 88.365 180.00 2.17103 0.00 4 3 3 o 2211.176 3117.688 -178.82 2.16185 0.13 4 8 2 o 689.051 1030.176 35.41 2.15968 0.05 1 8 3 o 3253.254 4061.274 29.39 2.14565 0.19 3 6 3 o 11465.471 14274.319 -163.74 2.14557 0.67 1 11 2 o 582.786 661.337 81.71 2.13075 0.02 5 9 0 o 17018.506 19310.252 180.00 2.12886 0.43 6 0 2 o 2400.424 1534.476 68.74 2.12099 0.05 1 13 0 o 560.737 518.003 0.00 2.10425 0.01 6 2 2 o 20.813 28.502 77.80 2.09643 0.00 7 1 0 o 12611.786 11997.851 180.00 2.10382 0.30 0 0 4 o 217639.52 250373.86 132.95 2.08949 3.11 0 2 4 o 7165.609 9304.680 -12.02 2.06601 0.20 4 5 3 o 10279.679 13300.757 -172.74 2.06322 0.54 1 1 4 o 5002.055 6337.860 116.29 2.06312 0.28 5 7 2 o 5429.855 5807.496 -94.38 2.05839 0.23 7 3 0 o 18382.383 18145.277 0.00 2.05669 0.41 6 4 2 o 17705.230 14566.757 -116.35 2.02760 0.79 6 7 1 o 684.108 598.843 126.17 2.02653 0.03 3 12 1 o 36459.67 34898.172 -48.03 2.02402 1.61 7 2 1 o 15122.141 14721.831 -44.36 2.02370 0.67 1 3 4 o 7415.142 6422.063 127.71 2.01861 0.38 0 12 2 o 669.576 535.308 -60.42 2.01706 0.02 4 11 1 o 521.036 397.845 -118.24 2.01588 0.02 2 0 4 o 762.557 471.326 -156.22 2.01056 0.02 5 2 3 o 5756.452 3028.896 -0.51 2.00530 0.27 6 8 0 o 3477.278 1754.326 0.00 2.00473 0.08 0 4 4 o 7080.080 3464.604 -72.30 2.00003 0.18 2 2 4 o 600.710 364.113 12.52 1.98961 0.03 2 9 3 o 32.881 23.189 50.01 1.98724 0.00 3 8 3 o 1467.847 1115.789 148.22 1.98464 0.07 2 13 1 o 33419.227 25743.146 -55.89 1.98454 1.40 0 14 0 o 85839.09 67515.20 0.00 1.97409 0.88 3 11 2 o 25110.230 18952.371 -110.78 1.97283 1.03 7 5 0 o 3145.702 2140.358 0.00 1.97121 0.06 5 10 1 o 1960.382 914.067 13.84 1.96176 0.08 7 4 1 o 1752.878 822.530 167.72 1.96158 0.07 4 10 2 o 2374.489 1766.973 -122.37 1.95542 0.10 4 12 0 o 3770.395 3206.751 -180.00 1.95413 0.08 3 13 0 o 1066.999 1092.388 180.00 1.95174 0.02 2 12 2 o 812.794 846.003 52.89 1.94579 0.04 1 10 3 o 9384.310 9903.021 3.48 1.94498 0.42 5 4 3 o 2007.938 2123.839 171.14 1.94481 0.09 4 7 3 o 3906.265 6136.042 15.64 1.93769 0.18 1 5 4 o 46.896 72.553 -142.22 1.93761 0.00 2 4 4 o 3256.436 4872.681 143.21 1.93049 0.15 6 6 2 o 170.498 265.245 -163.69 1.92656 0.01 3 1 4 o 2606.086 3411.567 -87.02 1.91878 0.12 5 11 0 o 114620.73 117987.66 0.00 1.91383 2.21 2 14 0 o 4252.356 5544.567 180.00 1.90712 0.09 1 14 1 o 433.891 735.469 96.86 1.90517 0.02 0 6 4 o 289.784 779.572 114.18 1.90286 0.01 5 9 2 o -89.593 446.919 -120.69 1.89691 0.00 3 3 4 o -48.007 1179.214 30.04 1.88283 0.00 1 13 2 o 20.263 596.426 -108.87 1.87944 0.00 7 1 2 o -122.367 1283.158 -98.77 1.87913 0.00 6 9 1 o 5818.947 6244.281 -37.85 1.87188 0.22 7 6 1 o 19314.059 19516.875 -61.76 1.86966 0.71 7 7 0 o 2097.645 6136.791 180.00 1.86088 0.04 5 6 3 o 922.231 1652.326 -164.44 1.85512 0.04 2 6 4 o 241.171 329.405 -5.96 1.84267 0.01 8 0 0 o 12642.979 24316.904 0.00 1.84620 0.12 7 3 2 o 1671.025 2838.154 67.43 1.84531 0.06 6 1 3 o 1978.979 2648.675 -13.37 1.84059 0.08 1 7 4 o 11379.229 13349.269 -46.03 1.83253 0.46 6 10 0 o 30064.490 39058.09 0.00 1.83818 0.54 8 2 0 o 704.432 777.442 -180.00 1.82994 0.01 1 15 0 o 40444.28 41605.04 0.00 1.82831 0.70 4 0 4 o 9827.340 9104.946 -44.12 1.81851 0.19 3 5 4 o 554.205 533.747 -132.40 1.81658 0.02 3 10 3 o 4036.889 3525.885 -151.72 1.82266 0.15 4 2 4 o 1100.634 781.726 -160.69 1.80296 0.04 2 11 3 o 2411.192 2181.593 -156.60 1.80897 0.09 6 3 3 o 6002.640 5394.941 -10.39 1.80878 0.22 6 8 2 o 80.903 69.757 -74.63 1.80751 0.00 4 9 3 o 6562.915 4311.741 175.47 1.80120 0.24 4 13 1 o 33307.746 20011.543 -55.43 1.79919 1.11 8 1 1 o 2664.990 1580.917 165.30 1.79892 0.09 0 8 4 o 5095.872 2109.039 -78.02 1.78790 0.09 3 14 1 o 2839.488 1110.276 163.14 1.78977 0.09 0 14 2 o 59159.73 24146.275 58.93 1.78495 0.98 8 4 0 o 24979.408 9659.999 0.00 1.78362 0.39 7 5 2 o 4969.197 1767.706 49.78 1.78282 0.16 5 12 1 o 3365.625 1242.341 161.74 1.77486 0.11 4 12 2 o 675.747 546.934 -69.91 1.77016 0.02 8 3 1 o 1234.177 1093.621 118.11 1.76918 0.04 3 13 2 o 56.155 51.066 143.99 1.76838 0.00 4 4 4 o 1196.904 5153.018 -49.78 1.75862 0.05 1 12 3 o 390.092 1147.906 -173.03 1.76241 0.01 7 8 1 o 38.459 157.007 53.12 1.76027 0.00 6 5 3 o 1.551 758.764 37.89 1.74982 0.00 2 15 1 o 70.410 243.513 -24.78 1.74814 0.00 5 8 3 o 204.520 938.497 9.03 1.74812 0.01 2 8 4 o 2800.115 2523.295 -39.54 1.73770 0.10 4 14 0 o 10348.501 11110.857 0.00 1.74090 0.16 5 11 2 o 31005.850 31375.420 64.40 1.74003 1.00 7 9 0 o 5247.843 4896.176 180.00 1.73901 0.08 3 7 4 o 199.303 384.194 0.94 1.72915 0.01 2 14 2 o 76.197 67.752 151.26 1.73499 0.00 0 16 0 o 3.823 9.436 0.00 1.72733 0.00 3 15 0 o -3.755 0.823 0.00 1.72560 0.00 5 13 0 o 343.782 1008.466 -180.00 1.72552 0.01 1 9 4 o 46.876 78.795 153.59 1.71581 0.00 6 11 1 o 94.443 480.747 174.82 1.72066 0.00 8 5 1 o 40730.48 55528.22 -59.37 1.71389 1.24 8 6 0 o 104.654 139.195 0.00 1.71367 0.00 5 1 4 o 77.979 243.662 140.24 1.70262 0.00 7 7 2 o 1822.925 2826.623 -133.98 1.69996 0.06 4 6 4 o 48.043 358.819 154.13 1.69146 0.00 8 0 2 o 4292.625 7500.448 73.32 1.68874 0.07 5 3 4 o 6185.156 7028.537 -46.26 1.67734 0.20 6 10 2 o 4920.916 5290.896 52.30 1.68260 0.15 2 16 0 o 1550.869 1685.448 -180.00 1.68193 0.02 6 12 0 o 6389.102 6955.648 0.00 1.68178 0.09 1 16 1 o 22803.879 25399.707 -65.21 1.68059 0.66 6 7 3 o 1721.609 1540.973 -155.79 1.67127 0.05 8 2 2 o 1756.256 1977.627 -86.70 1.67627 0.05 3 12 3 o 30481.193 25479.252 7.15 1.66986 0.93 7 2 3 o 11951.809 9908.433 12.33 1.66968 0.37 1 15 2 o 16151.928 17548.730 61.15 1.67502 0.47 0 10 4 o 2480.235 1918.433 -10.59 1.66675 0.04 4 11 3 o 2041.664 1534.865 -127.22 1.66528 0.06 1 2 5 o 251.498 225.787 -33.28 1.64912 0.01 2 13 3 o 46024.59 40390.08 8.87 1.64748 1.36 7 10 1 o 3503.871 2948.685 61.13 1.64429 0.09 8 4 2 o 9700.593 8430.704 50.02 1.64045 0.26 8 7 1 o 3053.506 2655.750 144.44 1.63988 0.08 5 10 3 o 2889.442 2313.338 33.95 1.63438 0.08 7 4 3 o 2735.304 2187.945 -109.64 1.63428 0.08 9 1 0 o 31403.916 26789.672 0.00 1.63818 0.42 3 9 4 o 2676.323 2171.796 145.29 1.63006 0.08 5 5 4 o 943.983 762.408 -154.99 1.63000 0.03 2 1 5 o 498.686 377.744 -123.07 1.62752 0.02 2 10 4 o 470.234 334.091 -103.61 1.62585 0.01 8 8 0 o 120.430 92.698 -180.00 1.62827 0.00 1 4 5 o 3060.135 2421.033 129.21 1.61498 0.10 4 15 1 o 3127.500 2814.737 128.59 1.61746 0.08 1 17 0 o 42.552 35.987 0.00 1.61596 0.00 7 11 0 o 127146.43 104986.42 0.00 1.61576 1.64 9 3 0 o 4325.346 3567.156 0.00 1.61563 0.05 4 8 4 o 2377.566 1673.454 -36.46 1.60918 0.07 2 3 5 o 2656.473 2051.597 -168.07 1.60540 0.08 5 14 1 o 651.882 457.890 150.98 1.61054 0.02 4 14 2 o 2769.826 1993.556 80.80 1.60703 0.07 1 14 3 o 2166.021 1821.739 -163.44 1.60122 0.06 7 9 2 o 1666.783 1277.661 -102.97 1.60554 0.04 1 11 4 o 4411.171 4023.960 117.60 1.59710 0.12 0 16 2 o 995.204 921.959 86.58 1.59634 0.01 3 15 2 o 2200.431 2046.886 69.38 1.59497 0.05 3 16 1 o 8123.435 6998.658 -72.35 1.59978 0.20 9 2 1 o 8009.084 6931.458 -94.34 1.59949 0.20 6 0 4 o 11869.162 10308.479 114.26 1.59298 0.16 5 13 2 o 1761.605 1631.755 -90.01 1.59491 0.05 6 2 4 o 165.964 168.620 -71.90 1.58250 0.00 6 9 3 o 6127.085 6037.836 17.77 1.58131 0.17 8 6 2 o 389.625 356.292 128.08 1.58554 0.01 7 6 3 o 35540.66 34208.727 5.93 1.57996 0.95 6 13 1 o 19783.662 18996.029 111.60 1.57995 0.49 3 2 5 o 100081.23 110020.46 -95.03 1.57256 2.98 9 5 0 o 5324.257 5802.243 180.00 1.57319 0.07 5 7 4 o 5121.447 6639.291 -51.99 1.56594 0.14 2 5 5 o 61103.71 74114.39 -94.39 1.56374 1.81 9 4 1 o 1015.607 1367.906 144.79 1.56829 0.03 1 6 5 o 72114.20 84908.31 -98.01 1.56250 2.11 2 16 2 o 2004.908 2282.773 -100.72 1.56030 0.05 4 16 0 o 0.265 0.859 0.00 1.56459 0.00 5 15 0 o 3838.789 4576.505 180.00 1.56330 0.05 6 12 2 o 6362.083 7232.060 70.06 1.56018 0.16 2 17 1 o 3338.659 3760.002 -105.23 1.55981 0.08 6 4 4 o 8512.537 8692.634 -49.09 1.55226 0.22 8 9 1 o 2161.078 2066.546 93.51 1.55464 0.05 0 12 4 o 2934.412 4084.356 122.81 1.54751 0.04 3 4 5 o 11897.234 17912.578 117.44 1.54287 0.34 3 17 0 o 331.868 543.702 0.00 1.54373 0.00 4 13 3 o 41233.25 36272.21 8.23 1.53675 1.03 8 1 3 o 2237.081 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