#------------------------------------------------------------------------------ #$Date: 2025-07-01 16:02:35 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1344 $ #$URL: svn://localhost/testcod/cif/4/50/00/4500027.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_4500027 loop_ _publ_author_name 'Das, Uday' 'Chattopadhyay, Basab' 'Mukherjee, Monika' 'Mukherjee, Alok K.' _publ_section_title ; Structure Analysis of Molecular Compounds withZ′ = 2 Using Laboratory X-ray Powder Diffraction Data: 3-Phenylpropionic Acid and Its Derivatives ; _journal_issue 1 _journal_name_full 'Crystal Growth & Design' _journal_page_first 466 _journal_page_last 474 _journal_paper_doi 10.1021/cg201290g _journal_volume 12 _journal_year 2012 _chemical_formula_sum 'C9 H10 O2' _chemical_formula_weight 150.18 _space_group_IT_number 14 _space_group_name_Hall '-P 2yab' _space_group_name_H-M_alt 'P 1 21/a 1' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/a 1' _audit_creation_date 2008-02-12T20:59 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2008-02-12T20:59 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 98.776(5) _cell_angle_gamma 90.0 _cell_formula_units_Z 8 _cell_length_a 31.6676(22) _cell_length_b 9.8510(6) _cell_length_c 5.4829(4) _cell_measurement_temperature 293 _cell_volume 1690.4(2) _computing_structure_refinement GSAS _diffrn_ambient_temperature 293 _diffrn_radiation_polarisn_ratio 0.5 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 1.5418 _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 2008-02-12T20:59|COMP1|ud| _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.01991 _pd_meas_2theta_range_max 65.02571 _pd_meas_2theta_range_min 5.0 _pd_meas_number_of_points 3014 _pd_phase_name 'from E:/acid series/Hydrocinnamic acid_sm/gsas/p21a.cif' _pd_proc_2theta_range_inc 0.01991 _pd_proc_2theta_range_max 65.02571 _pd_proc_2theta_range_min 5.0 _pd_proc_info_datetime 2008-02-12T20:59:47 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 20 terms. Shifted Chebyshev function of 1st kind 1: 688.403 2: -415.822 3: -75.4748 4: 95.0733 5: 63.8567 6: -210.660 7: 171.006 8: -33.3732 9: -10.9149 10: -14.0761 11: 59.8369 12: -70.7093 13: -10.3828 14: 39.3330 15: -3.75240 16: -27.8242 17: 34.1791 18: 8.87059 19: 5.95033 20: -15.2239 ; _pd_proc_ls_peak_cutoff 0.01000 _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) = 1776.020 #2(GV) = -132.594 #3(GW) = 22.342 #4(LX) = 0.000 #5(LY) = 1.000 #6(trns) = 0.000 #7(asym) = 1.1811 #8(shft) = -1.1992 #9(GP) = 0.000 #10(stec)= 87.40 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.081 #16(L12) = 0.002 #17(L13) = 0.017 #18(L23) = 0.023 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0346 _pd_proc_ls_prof_wR_expected 0.0255 _pd_proc_ls_prof_wR_factor 0.0489 _pd_proc_number_of_points 3014 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 2.07 _refine_ls_matrix_type full _refine_ls_number_parameters 101 _refine_ls_number_restraints 78 _refine_ls_R_Fsqd_factor 0.07883 _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.436 _reflns_d_resolution_low 15.648 _reflns_limit_h_max 22 _reflns_limit_h_min 0 _reflns_limit_k_max 7 _reflns_limit_k_min 0 _reflns_limit_l_max 3 _reflns_limit_l_min -3 _reflns_number_total 592 _cod_data_source_file cg201290g_si_002.cif _cod_data_source_block COMP1_publ _cod_original_cell_volume 1690.39(29) _cod_database_code 4500027 _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 -1 -x,-y,-z -2 +x+1/2,-y+1/2,+z 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 C C1A 0.06596(9) 0.68427(20) 0.6016(7) 1.0 Uiso 0.04 4 C C2A 0.09690(10) 0.6218(4) 0.7720(4) 1.0 Uiso 0.04 4 C C3A 0.11197(7) 0.4935(4) 0.7249(6) 1.0 Uiso 0.04 4 C C4A 0.09583(10) 0.42766(21) 0.5067(8) 1.0 Uiso 0.04 4 C C5A 0.06487(10) 0.49033(35) 0.3372(4) 1.0 Uiso 0.04 4 C C6A 0.04971(8) 0.61871(31) 0.3833(5) 1.0 Uiso 0.04 4 C C7A 0.01606(8) 0.68396(30) 0.1956(4) 1.0 Uiso 0.04 4 C C8A -0.00059(9) 0.82242(28) 0.2686(4) 1.0 Uiso 0.04 4 C C9A -0.03951(9) 0.87189(31) 0.0987(6) 1.0 Uiso 0.04 4 O O1A -0.05513(10) 0.7855(4) -0.0844(7) 1.0 Uiso 0.04 4 O O2A -0.05707(12) 0.9811(4) 0.1175(8) 1.0 Uiso 0.04 4 C C1B 0.77481(7) 0.34286(30) 0.2210(7) 1.0 Uiso 0.04 4 C C2B 0.74402(13) 0.38628(26) 0.0285(6) 1.0 Uiso 0.04 4 C C3B 0.70345(10) 0.32875(35) -0.0017(5) 1.0 Uiso 0.04 4 C C4B 0.69383(7) 0.22873(33) 0.1601(7) 1.0 Uiso 0.04 4 C C5B 0.72464(11) 0.18587(23) 0.3521(5) 1.0 Uiso 0.04 4 C C6B 0.76522(9) 0.24302(27) 0.3832(5) 1.0 Uiso 0.04 4 C C7B 0.79873(8) 0.19589(26) 0.5898(4) 1.0 Uiso 0.04 4 C C8B 0.81853(9) 0.06215(25) 0.5203(4) 1.0 Uiso 0.04 4 C C9B 0.86250(9) 0.03377(29) 0.6549(5) 1.0 Uiso 0.04 4 O O1B 0.87607(8) 0.1238(4) 0.8342(7) 1.0 Uiso 0.04 4 O O2B 0.88411(12) -0.0622(4) 0.6071(7) 1.0 Uiso 0.04 4 H H1A 0.05596 0.76983 0.63533 1.0 Uiso 0.06 4 H H2A 0.10744 0.6655 0.91908 1.0 Uiso 0.06 4 H H3A 0.13281 0.45181 0.83848 1.0 Uiso 0.06 4 H H4A 0.10592 0.3421 0.47269 1.0 Uiso 0.06 4 H H5A 0.05436 0.44658 0.19041 1.0 Uiso 0.06 4 H H7A1 -0.00712 0.62519 0.16691 1.0 Uiso 0.06 4 H H7A2 0.02754 0.69589 0.05101 1.0 Uiso 0.06 4 H H8A1 0.02096 0.88649 0.26697 1.0 Uiso 0.06 4 H H8A2 -0.00755 0.81584 0.42663 1.0 Uiso 0.06 4 H HOA -0.07639 0.81869 -0.16781 1.0 Uiso 0.06 4 H H1B 0.80204 0.38029 0.24005 1.0 Uiso 0.06 4 H H2B 0.75062 0.45272 -0.08109 1.0 Uiso 0.06 4 H H3B 0.68275 0.35735 -0.13057 1.0 Uiso 0.06 4 H H4B 0.66656 0.19183 0.1409 1.0 Uiso 0.06 4 H H5B 0.71797 0.12009 0.46099 1.0 Uiso 0.06 4 H H7B1 0.78616 0.183 0.73122 1.0 Uiso 0.06 4 H H7B2 0.81991 0.2618 0.62109 1.0 Uiso 0.06 4 H H8B1 0.81998 0.06469 0.35288 1.0 Uiso 0.06 4 H H8B2 0.80074 -0.00805 0.55406 1.0 Uiso 0.06 4 H HOB 0.90003 0.10436 0.90087 1.0 Uiso 0.06 4 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 C 72.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C O 16.0 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 H 80.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 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 C2A C1A C6A 120.28(15) 1_555 . 1_555 N C2A C1A H1A 119.7(4) 1_555 . 1_555 N C6A C1A H1A 120.1(4) 1_555 . 1_555 N C1A C2A C3A 120.33(14) 1_555 . 1_555 N C1A C2A H2A 120.1(4) 1_555 . 1_555 N C3A C2A H2A 119.6(4) 1_555 . 1_555 N C2A C3A C4A 119.57(14) 1_555 . 1_555 N C2A C3A H3A 120.4(4) 1_555 . 1_555 N C4A C3A H3A 120.0(4) 1_555 . 1_555 N C3A C4A C5A 119.91(14) 1_555 . 1_555 N C3A C4A H4A 120.2(4) 1_555 . 1_555 N C5A C4A H4A 119.9(4) 1_555 . 1_555 N C4A C5A C6A 120.75(15) 1_555 . 1_555 N C4A C5A H5A 119.8(4) 1_555 . 1_555 N C6A C5A H5A 119.5(4) 1_555 . 1_555 N C1A C6A C5A 119.16(16) 1_555 . 1_555 N C1A C6A C7A 121.37(23) 1_555 . 1_555 N C5A C6A C7A 119.46(23) 1_555 . 1_555 N C6A C7A C8A 115.81(17) 1_555 . 1_555 N C6A C7A H7A1 107.93(23) 1_555 . 1_555 N C6A C7A H7A2 107.96(24) 1_555 . 1_555 N C8A C7A H7A1 107.67(21) 1_555 . 1_555 N C8A C7A H7A2 107.73(23) 1_555 . 1_555 N H7A1 C7A H7A2 109.65(21) 1_555 . 1_555 N C7A C8A C9A 113.97(17) 1_555 . 1_555 N C7A C8A H8A1 108.55(25) 1_555 . 1_555 N C7A C8A H8A2 108.71(24) 1_555 . 1_555 N C9A C8A H8A1 107.82(27) 1_555 . 1_555 N C9A C8A H8A2 108.14(28) 1_555 . 1_555 N H8A1 C8A H8A2 109.59(21) 1_555 . 1_555 N C8A C9A O1A 115.31(19) 1_555 . 1_555 N C8A C9A O2A 124.86(26) 1_555 . 1_555 N O1A C9A O2A 119.83(32) 1_555 . 1_555 N C9A O1A HOA 109.8(4) 1_555 . 1_555 N C2B C1B C6B 120.45(15) 1_555 . 1_555 N C2B C1B H1B 119.7(4) 1_555 . 1_555 N C6B C1B H1B 119.89(35) 1_555 . 1_555 N C1B C2B C3B 119.55(14) 1_555 . 1_555 N C1B C2B H2B 120.3(4) 1_555 . 1_555 N C3B C2B H2B 120.2(4) 1_555 . 1_555 N C2B C3B C4B 120.08(14) 1_555 . 1_555 N C2B C3B H3B 119.8(4) 1_555 . 1_555 N C4B C3B H3B 120.1(4) 1_555 . 1_555 N C3B C4B C5B 120.18(14) 1_555 . 1_555 N C3B C4B H4B 119.7(4) 1_555 . 1_555 N C5B C4B H4B 120.1(4) 1_555 . 1_555 N C4B C5B C6B 119.99(15) 1_555 . 1_555 N C4B C5B H5B 119.9(4) 1_555 . 1_555 N C6B C5B H5B 120.09(35) 1_555 . 1_555 N C1B C6B C5B 119.75(16) 1_555 . 1_555 N C1B C6B C7B 120.17(24) 1_555 . 1_555 N C5B C6B C7B 120.07(25) 1_555 . 1_555 N C6B C7B C8B 110.29(16) 1_555 . 1_555 N C6B C7B H7B1 109.07(24) 1_555 . 1_555 N C6B C7B H7B2 109.24(24) 1_555 . 1_555 N C8B C7B H7B1 109.42(23) 1_555 . 1_555 N C8B C7B H7B2 109.58(21) 1_555 . 1_555 N H7B1 C7B H7B2 109.22(19) 1_555 . 1_555 N C7B C8B C9B 114.99(17) 1_555 . 1_555 N C7B C8B H8B1 107.90(21) 1_555 . 1_555 N C7B C8B H8B2 107.90(24) 1_555 . 1_555 N C9B C8B H8B1 108.04(26) 1_555 . 1_555 N C9B C8B H8B2 108.02(24) 1_555 . 1_555 N H8B1 C8B H8B2 109.94(21) 1_555 . 1_555 N C8B C9B O1B 113.96(19) 1_555 . 1_555 N C8B C9B O2B 123.28(25) 1_555 . 1_555 N O1B C9B O2B 122.77(31) 1_555 . 1_555 N C9B O1B HOB 110.2(4) 1_555 . 1_555 N C7A H7A1 H7A2 35.17(12) 1_555 . 1_555 N C7A H7A2 H7A1 35.18(12) 1_555 . 1_555 N C8A H8A1 H8A2 35.15(12) 1_555 . 1_555 N C8A H8A2 H8A1 35.26(12) 1_555 . 1_555 N C7B H7B1 H7B2 35.34(12) 1_555 . 1_555 N C7B H7B2 H7B1 35.44(11) 1_555 . 1_555 N C8B H8B1 H8B2 35.07(12) 1_555 . 1_555 N C8B H8B2 H8B1 34.99(12) 1_555 . 1_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 C1A C2A 1.3897(19) . 1_555 N C1A C6A 1.3883(19) . 1_555 N C1A H1A 0.9288(17) . 1_555 N C2A C1A 1.3897(19) . 1_555 N C2A C3A 1.3891(19) . 1_555 N C2A H2A 0.9301(18) . 1_555 N C3A C2A 1.3891(19) . 1_555 N C3A C4A 1.3883(19) . 1_555 N C3A H3A 0.9308(18) . 1_555 N C4A C3A 1.3883(19) . 1_555 N C4A C5A 1.3885(19) . 1_555 N C4A H4A 0.9304(18) . 1_555 N C5A C4A 1.3885(19) . 1_555 N C5A C6A 1.3894(19) . 1_555 N C5A H5A 0.9287(17) . 1_555 N C6A C1A 1.3883(19) . 1_555 N C6A C5A 1.3894(19) . 1_555 N C6A C7A 1.5075(19) . 1_555 N C7A C6A 1.5075(19) . 1_555 N C7A C8A 1.5372(19) . 1_555 N C7A H7A1 0.9291(18) . 1_555 N C7A H7A2 0.9289(18) . 1_555 N C8A C7A 1.5372(19) . 1_555 N C8A C9A 1.5080(19) . 1_555 N C8A H8A1 0.9306(18) . 1_555 N C8A H8A2 0.9281(19) . 1_555 N C9A C8A 1.5080(19) . 1_555 N C9A O1A 1.3512(20) . 1_555 N C9A O2A 1.2226(19) . 1_555 N O1A C9A 1.3512(20) . 1_555 N O1A HOA 0.8218(18) . 1_555 N O2A C9A 1.2226(19) . 1_555 N C1B C2B 1.3904(19) . 1_555 N C1B C6B 1.3906(19) . 1_555 N C1B H1B 0.9290(18) . 1_555 N C2B C1B 1.3904(19) . 1_555 N C2B C3B 1.3909(19) . 1_555 N C2B H2B 0.9335(18) . 1_555 N C3B C2B 1.3909(19) . 1_555 N C3B C4B 1.3903(19) . 1_555 N C3B H3B 0.9312(18) . 1_555 N C4B C3B 1.3903(19) . 1_555 N C4B C5B 1.3874(19) . 1_555 N C4B H4B 0.9280(18) . 1_555 N C5B C4B 1.3874(19) . 1_555 N C5B C6B 1.3895(19) . 1_555 N C5B H5B 0.9270(18) . 1_555 N C6B C1B 1.3906(19) . 1_555 N C6B C5B 1.3895(19) . 1_555 N C6B C7B 1.5028(19) . 1_555 N C7B C6B 1.5028(19) . 1_555 N C7B C8B 1.5320(19) . 1_555 N C7B H7B1 0.9326(18) . 1_555 N C7B H7B2 0.9304(18) . 1_555 N C8B C7B 1.5320(19) . 1_555 N C8B C9B 1.4993(19) . 1_555 N C8B H8B1 0.9265(18) . 1_555 N C8B H8B2 0.9282(18) . 1_555 N C9B C8B 1.4993(19) . 1_555 N C9B O1B 1.3449(20) . 1_555 N C9B O2B 1.2188(19) . 1_555 N O1B C9B 1.3449(20) . 1_555 N O1B HOB 0.8130(18) . 1_555 N O2B C9B 1.2188(19) . 1_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 1485.0 0.000673 1567.11865 1581.60779 1465.0 0.000683 1541.47668 1556.94214 1465.0 0.000683 1516.70349 1533.24744 1461.0 0.000684 1492.76990 1510.50952 1453.0 0.000688 1469.64929 1488.71802 1432.0 0.000698 1447.31445 1467.86816 1424.0 0.000702 1425.73901 1447.95752 1410.0 0.000709 1404.89832 1428.99207 1402.0 0.000713 1384.76672 1410.98328 1388.0 0.000720 1365.31946 1393.95276 1387.0 0.000721 1346.53503 1377.93457 1383.0 0.000723 1328.39026 1362.97668 1374.0 0.000728 1310.86243 1349.14795 1360.0 0.000735 1293.93079 1336.54529 1358.0 0.000736 1277.57410 1325.31018 1353.0 0.000739 1261.77209 1315.66077 1351.0 0.000740 1246.50598 1307.96094 1371.0 0.000729 1231.75586 1302.84985 1399.0 0.000715 1217.50391 1301.47339 1427.0 0.000701 1203.73206 1305.79944 1462.0 0.000684 1190.42261 1318.96680 1496.0 0.000668 1177.55884 1345.50256 1539.0 0.000650 1165.12427 1391.27148 1599.0 0.000625 1153.10315 1463.09973 1667.0 0.000600 1141.48083 1568.03809 1764.0 0.000567 1130.24146 1711.69189 1902.0 0.000526 1119.37109 1894.58936 2061.0 0.000485 1108.85571 2109.32178 2234.0 0.000448 1098.68152 2346.62695 2476.0 0.000404 1088.83594 2600.06104 2780.0 0.000360 1079.30542 2845.82935 3038.0 0.0003292 1070.07874 3019.54272 3133.0 0.0003192 1061.14368 3037.69434 3055.0 0.0003273 1052.48779 2870.48926 2786.0 0.000359 1044.10156 2571.11646 2376.0 0.000421 1035.97302 2224.91040 1900.0 0.000526 1028.09216 1900.19275 1500.0 0.000667 1020.44928 1633.38477 1225.0 0.000816 1013.03436 1434.31677 1098.0 0.000911 1005.83801 1296.24841 1068.0 0.000936 998.85156 1204.94678 1057.0 0.000946 992.06549 1145.41455 1043.0 0.000959 985.47223 1105.57739 1032.0 0.000969 979.06311 1077.26819 1028.0 0.000973 972.83075 1055.62476 1020.0 0.000980 966.76746 1037.98999 1005.0 0.000995 960.86603 1022.96606 996.0 0.001004 955.11902 1009.79791 993.0 0.001007 949.51990 998.04199 984.0 0.001016 944.06268 987.40906 978.0 0.001022 938.74060 977.69196 981.0 0.001019 933.54761 968.73621 977.0 0.001024 928.47821 960.42041 968.0 0.001033 923.52698 952.64966 962.0 0.001040 918.68805 945.34705 960.0 0.001042 913.95685 938.45093 956.0 0.001046 909.32806 931.90924 943.0 0.001060 904.79742 925.68073 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3033.51147 3143.0 0.0003182 1212.32849 3288.56299 3377.0 0.0002961 1214.28271 3482.78223 3592.0 0.0002784 1216.23669 3579.17334 3739.0 0.0002675 1218.19165 3556.94971 3733.0 0.0002679 1220.14551 3422.02393 3574.0 0.0002798 1222.09998 3204.16187 3290.0 0.0003040 1224.05334 2943.44238 2900.0 0.0003448 1226.00720 2677.27979 2491.0 0.000401 1227.95996 2434.69629 2153.0 0.000464 1229.91235 2233.70947 1929.0 0.000518 1231.86353 2080.05713 1802.0 0.000555 1233.81445 1976.32922 1764.0 0.000567 1235.76453 1913.84583 1779.0 0.000562 1237.71326 1882.96887 1812.0 0.000552 1239.66125 1873.61523 1878.0 0.000532 1241.60779 1876.64368 1953.0 0.000512 1243.55273 1884.50134 2030.0 0.000493 1245.49658 1891.38135 2095.0 0.000477 1247.43884 1893.19897 2151.0 0.000465 1249.37976 1887.54675 2147.0 0.000466 1251.31836 1873.58679 2087.0 0.000479 1253.25549 1851.81311 1982.0 0.000505 1255.19019 1823.67261 1840.0 0.000543 1257.12329 1769.60229 1690.0 0.000592 1259.05420 1735.00391 1563.0 0.000640 1260.98291 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409.0 0.002445 310.43912 386.48239 409.0 0.002445 310.76443 385.73468 411.0 0.002433 311.07602 384.97705 409.0 0.002445 311.37308 384.21631 405.0 0.002469 311.65521 383.46060 401.0 0.002494 311.92270 382.75934 399.0 0.002506 312.17462 382.03268 395.0 0.002532 312.41101 381.34436 394.0 0.002538 312.63150 380.70291 394.0 0.002538 312.83572 380.10657 392.0 0.002551 313.02353 379.51749 392.0 0.002551 313.19464 378.97809 397.0 0.002519 313.34854 378.49445 401.0 0.002494 313.48538 378.09457 397.0 0.002519 313.60483 378.01904 395.0 0.002532 313.70639 377.73822 394.0 0.002538 313.79013 377.75781 391.0 0.002558 313.85571 377.63107 388.0 0.002577 313.90292 377.58459 387.0 0.002584 313.93155 377.62097 389.0 0.002571 313.94171 377.74194 391.0 0.002558 313.93283 377.94919 394.0 0.002538 313.90500 378.24246 390.0 0.002564 313.85800 378.62265 392.0 0.002551 313.79190 379.08755 391.0 0.002558 313.70633 379.63611 393.0 0.002545 313.60117 380.31201 388.0 0.002577 313.47668 381.03189 390.0 0.002564 313.33246 382.30319 386.0 0.002591 313.16864 383.16367 384.0 0.002604 312.98514 384.11139 380.0 0.002632 312.78177 385.09402 381.0 0.002625 312.55875 386.12222 381.0 0.002625 312.31604 387.19946 380.0 0.002632 312.05359 388.31866 379.0 0.002639 311.77151 389.45853 380.0 0.002632 311.46979 390.55963 382.0 0.002618 311.14847 391.72488 381.0 0.002625 310.80792 392.88486 383.0 0.002611 310.44775 394.02850 382.0 0.002618 310.06863 395.14108 381.0 0.002625 309.67035 396.21036 374.0 0.002674 309.25311 397.22208 379.0 0.002639 308.81720 397.19089 378.0 0.002646 308.36292 398.05475 379.0 0.002639 307.89008 398.81830 379.0 0.002639 307.39932 399.47565 385.0 0.002597 306.89087 399.99942 389.0 0.002571 306.36462 400.38821 385.0 0.002597 305.82144 400.63501 387.0 0.002584 305.26102 400.77676 389.0 0.002571 304.68420 400.73154 390.0 0.002564 304.09128 400.54468 386.0 0.002591 303.48227 400.22278 389.0 0.002571 302.85797 399.77728 385.0 0.002597 302.21890 399.22214 382.0 0.002618 301.56488 398.57205 383.0 0.002611 300.89709 397.84445 385.0 0.002597 300.21530 397.05579 382.0 0.002618 299.52066 396.22287 382.0 0.002618 298.81357 395.36874 384.0 0.002604 298.09406 394.49020 383.0 0.002611 297.36322 393.60706 385.0 0.002597 296.62204 392.73038 382.0 0.002618 295.86996 391.86591 382.0 0.002618 295.10864 391.02112 381.0 0.002625 294.33804 390.19870 378.0 0.002646 293.55963 389.40256 374.0 0.002674 292.77347 388.63199 379.0 0.002639 291.98019 387.88669 381.0 0.002625 291.18112 387.16586 376.0 0.002660 290.37714 386.46573 376.0 0.002660 289.56805 385.78119 379.0 0.002639 288.75558 385.09985 377.0 0.002653 287.94000 384.46286 371.0 0.002695 287.12274 383.78745 371.0 0.002695 286.30429 382.32513 373.0 0.002681 285.48529 381.61880 373.0 0.002681 284.66714 380.87399 374.0 0.002674 283.85107 380.07843 378.0 0.002646 283.03702 379.21957 377.0 0.002653 282.22702 378.31863 374.0 0.002674 281.42108 377.30518 375.0 0.002667 280.62125 376.20416 375.0 0.002667 279.82791 375.01251 369.0 0.002710 279.04208 373.73062 370.0 0.002703 278.26511 372.50366 371.0 0.002695 277.49863 371.06726 374.0 0.002674 276.74234 369.56317 371.0 0.002695 275.99838 368.12698 375.0 0.002667 275.26746 366.56073 374.0 0.002674 274.55130 364.97250 378.0 0.002646 273.85086 363.42068 382.0 0.002618 273.16669 361.90826 381.0 0.002625 272.50064 360.45917 379.0 0.002639 271.85422 359.09503 376.0 0.002660 271.22754 357.83353 373.0 0.002681 270.62280 356.70386 368.0 0.002717 270.04077 355.70197 368.0 0.002717 269.48294 354.85220 370.0 0.002703 268.95071 354.16580 372.0 0.002688 268.44479 353.64594 372.0 0.002688 267.96698 353.30127 369.0 0.002710 267.51859 353.13406 364.0 0.002747 267.10019 353.14481 364.0 0.002747 266.71378 353.33640 363.0 0.002755 266.36026 353.69424 361.0 0.002770 266.04117 354.24756 361.0 0.002770 265.75775 354.92700 365.0 0.002740 265.51117 355.75302 368.0 0.002717 265.30261 356.71408 364.0 0.002747 265.13376 357.89899 362.0 0.002762 265.00531 359.09171 363.0 0.002755 264.91879 360.37622 362.0 0.002762 264.87552 361.73749 360.0 0.002778 264.87653 363.15567 360.0 0.002778 264.92322 364.60037 367.0 0.002725 265.01675 366.07803 369.0 0.002710 265.15805 367.55429 369.0 0.002710 265.34839 369.00797 372.0 0.002688 265.58920 370.41852 375.0 0.002667 265.88116 371.76340 377.0 0.002653 266.22580 373.02322 376.0 0.002660 266.62357 373.99365 378.0 0.002646 267.07574 375.02795 375.0 0.002667 267.58380 375.92752 373.0 0.002681 268.14792 376.69135 372.0 0.002688 268.76907 377.29758 374.0 0.002674 269.44873 377.75656 373.0 0.002681 270.18726 378.07407 376.0 0.002660 270.98569 378.21152 377.0 0.002653 271.84381 378.27792 376.0 0.002660 272.76324 378.25525 372.0 0.002688 273.74475 378.16043 371.0 0.002695 274.78809 378.01627 366.0 0.002732 275.89359 377.84705 366.0 0.002732 277.06308 377.67590 363.0 0.002755 278.29532 377.52579 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 2 0 0 o 543.132 535.991 0.00 15.64843 7.38 1 1 0 o 320.622 325.767 0.00 9.39648 8.70 2 1 0 o 206.772 212.855 0.00 8.33662 4.88 4 0 0 o 1212.239 1181.902 0.00 7.82422 3.98 3 1 0 o 1859.952 1925.268 180.00 7.16238 12.81 4 1 0 o 59.853 2.104 0.00 6.12680 0.16 0 0 1 o 506.853 502.629 180.00 5.41869 5.04 2 0 -1 o 4773.247 4837.029 0.00 5.38050 5.51 5 1 0 o 1764.389 1771.088 0.00 5.28308 4.74 2 0 1 o 308.452 303.843 180.00 4.89470 1.54 6 0 0 o 8764.030 8350.392 180.00 5.21614 12.72 0 1 1 o 385.149 386.150 180.00 4.74781 1.52 1 1 -1 o 9332.312 9288.538 0.00 4.79001 48.13 1 1 1 o 16.848 16.781 180.00 4.60373 0.07 0 2 0 o 0.805 454.059 180.00 4.92548 0.00 1 2 0 o 276.530 262.904 180.00 4.86559 0.53 2 1 -1 o 13074.204 13116.661 180.00 4.72205 83.17 4 0 -1 o -6.608 626.711 0.00 4.81151 0.00 2 1 1 o 984.822 982.332 0.00 4.38342 4.98 2 2 0 o 1918.620 1877.305 0.00 4.69824 12.33 6 1 0 o 472.700 472.644 180.00 4.60978 1.36 3 1 -1 o 4627.357 4547.207 0.00 4.55710 24.21 4 0 1 o -51.981 5355.810 0.00 4.16705 0.00 3 2 0 o 1080.566 1037.639 180.00 4.45400 8.24 3 1 1 o 793.948 787.864 0.00 4.11874 4.78 4 1 -1 o 8.007 10.091 0.00 4.32337 0.03 4 2 0 o 16430.301 16393.557 180.00 4.16831 94.06 7 1 0 o 2586.156 2510.423 0.00 4.07128 6.76 4 1 1 o 90.782 89.293 0.00 3.83781 0.67 6 0 -1 o 102.465 97.596 0.00 4.08195 0.31 5 1 -1 o 11482.111 11381.884 180.00 4.05256 29.00 8 0 0 o 343.894 331.085 180.00 3.91211 0.27 5 2 0 o 12486.616 12214.228 180.00 3.87077 40.93 0 2 1 o 1324.697 1394.627 180.00 3.64476 2.16 5 1 1 o 2133.189 2101.000 0.00 3.56050 18.04 6 1 -1 o 34845.605 35245.57 180.00 3.77102 100.00 1 2 1 o 345.135 338.268 180.00 3.57835 0.36 1 2 -1 o 10588.290 10591.036 180.00 3.66375 18.57 2 2 -1 o 647.024 716.585 180.00 3.63307 1.14 8 1 0 o 10.423 11.675 180.00 3.63589 0.02 6 0 1 o 1.793 1.739 0.00 3.50056 0.00 2 2 1 o 8.852 8.589 180.00 3.47191 0.00 6 2 0 o 766.741 733.757 180.00 3.58119 1.25 3 2 -1 o 6404.447 6375.191 0.00 3.55632 11.83 7 1 -1 o 24102.352 23696.777 180.00 3.49656 80.92 3 2 1 o 49.169 39.571 0.00 3.33587 0.01 6 1 1 o 481.715 495.874 180.00 3.29849 3.74 4 2 -1 o 2925.870 2837.752 0.00 3.44184 5.71 8 0 -1 o 656.120 649.670 0.00 3.42990 2.93 7 2 0 o 458.752 476.150 180.00 3.31051 0.40 5 2 -1 o 2598.057 2828.919 180.00 3.30042 5.08 4 2 1 o 1406.086 1421.982 0.00 3.18128 1.36 9 1 0 o 245.351 295.015 180.00 3.27912 0.45 1 3 0 o 1.411 1.673 0.00 3.26573 0.00 8 1 -1 o 2934.336 3019.274 180.00 3.23918 10.10 7 1 1 o 473.768 446.265 0.00 3.05733 2.85 2 3 0 o 177.953 193.529 0.00 3.21366 0.27 6 2 -1 o 3193.724 2918.014 180.00 3.14293 5.75 10 0 0 o 454.968 394.798 0.00 3.12969 0.22 5 2 1 o 936.153 962.654 180.00 3.01791 1.75 3 3 0 o 51.720 44.870 180.00 3.13216 0.14 8 2 0 o 577.539 517.568 0.00 3.06340 0.36 8 0 1 o 1159.841 1438.190 180.00 2.96446 1.22 4 3 0 o 702.248 714.198 180.00 3.02782 2.27 9 1 -1 o 261.078 283.674 180.00 3.00333 0.81 10 1 0 o 305.636 459.940 0.00 2.98277 0.46 7 2 -1 o 7.353 10.903 0.00 2.97867 0.01 8 1 1 o 585.404 493.458 0.00 2.83871 2.41 6 2 1 o 118.123 85.124 0.00 2.85335 0.29 10 0 -1 o 513.123 496.421 180.00 2.90916 1.45 5 3 0 o 0.738 0.706 0.00 2.90782 0.00 0 3 1 o 1530.955 1509.240 0.00 2.80826 2.54 1 3 -1 o 927.826 931.772 180.00 2.81692 2.05 2 0 -2 o 3760.172 3873.538 180.00 2.74085 4.87 0 0 2 o 54.200 55.476 180.00 2.70935 0.12 9 2 0 o 509.903 426.820 180.00 2.84078 0.30 1 3 1 o 74.748 74.208 180.00 2.77755 0.07 2 3 -1 o 1280.090 1267.009 0.00 2.80291 3.08 8 2 -1 o 85.250 86.884 0.00 2.81469 0.11 2 3 1 o 1177.999 1208.660 0.00 2.72688 0.14 4 0 -2 o 7.615 7.599 0.00 2.69025 0.00 10 1 -1 o 373.445 366.144 0.00 2.79004 0.94 3 3 -1 o 47.057 48.712 0.00 2.76721 0.11 6 3 0 o 26.763 26.482 0.00 2.77887 0.07 7 2 1 o 1120.970 1124.287 180.00 2.69291 2.70 9 1 1 o 1438.702 1380.650 180.00 2.64211 3.71 2 1 -2 o 1180.391 1137.946 180.00 2.64054 1.41 3 3 1 o -21.784 1623.715 0.00 2.65947 0.00 0 1 2 o 107.346 116.089 0.00 2.61234 0.19 11 1 0 o 871.711 890.322 180.00 2.73344 1.06 1 1 -2 o 53.128 51.827 0.00 2.63563 0.07 4 3 -1 o 34.401 36.339 0.00 2.71224 0.07 2 0 2 o 0.102 0.109 180.00 2.60369 0.00 3 1 -2 o 1845.973 1861.939 180.00 2.62679 1.96 1 1 2 o 1049.416 1046.708 0.00 2.57212 2.26 4 1 -2 o 210.734 237.796 180.00 2.59521 0.16 5 3 -1 o 1206.420 1130.419 180.00 2.64140 1.92 9 2 -1 o 618.316 581.768 180.00 2.65579 0.61 4 3 1 o -4.644 291.433 0.00 2.57912 0.00 7 3 0 o 243.523 226.213 180.00 2.64656 0.41 10 2 0 o 512.617 478.091 180.00 2.64154 0.32 6 0 -2 o -15.287 1373.524 180.00 2.57009 0.00 2 1 2 o 529.322 515.550 180.00 2.51725 1.25 5 1 -2 o 866.092 740.896 0.00 2.54770 0.19 10 0 1 o 4633.428 3961.456 180.00 2.54705 0.99 12 0 0 o 4153.166 4918.729 180.00 2.60807 1.38 8 2 1 o 116.264 99.393 0.00 2.53991 0.24 11 1 -1 o 376.609 455.275 0.00 2.59847 0.70 6 3 -1 o 370.035 334.638 180.00 2.55856 0.45 3 1 2 o 10.943 11.129 0.00 2.45058 0.02 5 3 1 o -16.535 1302.759 0.00 2.48974 0.00 4 0 2 o 166.466 172.481 0.00 2.44735 0.19 6 1 -2 o -1.861 199.810 0.00 2.48685 0.00 10 1 1 o 2264.270 2154.432 0.00 2.46596 3.31 12 1 0 o 1.654 1.763 0.00 2.52121 0.00 8 3 0 o 480.945 531.802 0.00 2.51511 0.52 10 2 -1 o 496.632 479.432 180.00 2.50487 0.37 12 0 -1 o 172.879 164.705 180.00 2.50406 0.22 7 3 -1 o 173.014 166.029 0.00 2.46758 0.15 11 2 0 o 368.995 355.202 0.00 2.46368 0.24 7 1 -2 o -20.081 1821.891 180.00 2.41564 0.00 9 2 1 o 2175.623 2163.358 0.00 2.39617 3.38 2 2 -2 o 4507.991 4465.601 180.00 2.39501 5.23 4 1 2 o 287.893 260.603 180.00 2.37515 0.45 0 2 2 o 5.578 5.010 0.00 2.37390 0.00 1 2 -2 o 742.623 726.028 180.00 2.39134 0.73 8 0 -2 o -38.197 2907.547 180.00 2.40576 0.00 3 2 -2 o 410.850 389.936 0.00 2.38473 0.55 6 3 1 o -7.804 507.272 180.00 2.39491 0.00 0 4 0 o 0.414 75.122 180.00 2.46274 0.00 1 4 0 o 0.066 59.596 0.00 2.45515 0.00 1 2 2 o 316.034 290.519 0.00 2.34360 0.29 12 1 -1 o 931.628 1185.007 0.00 2.42688 1.20 2 4 0 o 0.515 0.731 0.00 2.43279 0.00 4 2 -2 o 1036.922 906.074 180.00 2.36103 1.49 5 1 2 o 44.286 45.461 0.00 2.29385 0.04 2 2 2 o 2310.009 2389.323 0.00 2.30187 2.30 8 1 -2 o -21.377 1134.611 180.00 2.33707 0.00 9 3 0 o 146.591 143.806 180.00 2.38746 0.10 3 4 0 o 1574.729 1577.896 0.00 2.39686 1.54 8 3 -1 o 1103.518 929.786 180.00 2.37191 0.74 11 1 1 o 6124.191 6359.231 180.00 2.30825 4.67 5 2 -2 o 657.905 668.323 0.00 2.32508 0.90 6 0 2 o 0.003 0.259 180.00 2.26703 0.00 11 2 -1 o 45.582 37.901 0.00 2.36348 0.03 7 3 1 o 25.302 26.499 0.00 2.29766 0.00 13 1 0 o 1856.375 1674.908 180.00 2.33863 1.50 3 2 2 o 35.029 36.602 180.00 2.25056 0.04 4 4 0 o 47.277 42.257 180.00 2.34912 0.07 10 2 1 o 716.535 712.109 180.00 2.26245 0.78 6 2 -2 o 63.748 59.763 180.00 2.27855 0.07 12 2 0 o 41.408 43.169 180.00 2.30489 0.03 6 1 2 o 535.949 522.036 180.00 2.20928 0.32 9 1 -2 o -0.007 10.136 180.00 2.25392 0.00 4 2 2 o 4434.472 4453.355 0.00 2.19171 4.94 5 4 0 o 150.119 164.955 0.00 2.29174 0.25 12 0 1 o -10.408 473.779 180.00 2.22133 0.00 9 3 -1 o 1169.222 1034.585 0.00 2.27447 0.58 0 4 1 o 467.122 497.673 180.00 2.24204 0.75 10 3 0 o 545.749 518.383 180.00 2.26550 0.23 7 2 -2 o 222.192 205.255 180.00 2.22340 0.20 10 0 -2 o 1458.086 1341.442 180.00 2.22311 0.00 13 1 -1 o 511.564 447.710 0.00 2.27325 0.41 1 4 -1 o 189.459 208.846 0.00 2.24644 0.38 1 4 1 o 63.863 59.114 0.00 2.22632 0.07 2 4 -1 o 1032.709 1086.823 0.00 2.23931 2.28 8 3 1 o 2932.462 2915.865 180.00 2.20041 0.76 2 4 1 o 1021.816 1017.573 0.00 2.19997 0.71 14 0 0 o 51.208 51.780 180.00 2.23549 0.01 3 4 -1 o 1353.151 1214.960 180.00 2.22098 3.01 12 2 -1 o 223.237 215.476 180.00 2.23216 0.08 12 1 1 o 429.727 459.588 0.00 2.16692 0.15 6 4 0 o 2.963 2.653 180.00 2.22700 0.01 5 2 2 o 1672.445 1527.457 180.00 2.12735 1.98 7 1 2 o 237.549 219.466 180.00 2.12358 0.13 10 1 -2 o 329.413 354.947 180.00 2.16857 0.02 4 4 -1 o 229.850 228.066 180.00 2.19226 0.47 3 4 1 o 188.292 201.893 0.00 2.16411 0.06 8 2 -2 o 53.776 57.023 180.00 2.16168 0.04 11 2 1 o 72.067 65.853 180.00 2.13881 0.05 14 1 0 o 563.727 596.733 0.00 2.18006 0.38 10 3 -1 o 1997.881 2145.889 0.00 2.17750 0.73 14 0 -1 o 2359.418 2370.105 180.00 2.18754 1.03 8 0 2 o -34.834 2210.185 180.00 2.08353 0.00 5 4 -1 o 702.331 723.076 0.00 2.15434 1.26 13 2 0 o 0.951 1.037 180.00 2.16291 0.00 4 4 1 o 56.109 51.944 0.00 2.12015 0.01 9 3 1 o 786.485 788.108 180.00 2.10496 0.21 0 3 2 o 851.695 846.156 0.00 2.08981 0.63 2 3 -2 o 1358.345 1359.145 180.00 2.10417 1.06 1 3 -2 o 483.919 484.157 180.00 2.10168 0.37 11 3 0 o 243.089 240.815 180.00 2.15028 0.07 7 4 0 o 935.097 994.764 0.00 2.15714 1.42 3 3 -2 o 64.091 63.971 180.00 2.09719 0.05 6 2 2 o 1523.468 1489.824 0.00 2.05937 1.98 14 1 -1 o 1947.811 1694.870 0.00 2.13552 0.84 1 3 2 o 1088.885 1098.145 0.00 2.06905 0.77 9 2 -2 o 1093.234 1089.005 180.00 2.09538 0.65 4 3 -2 o 562.458 567.992 0.00 2.08101 0.47 6 4 -1 o 835.255 844.993 0.00 2.10868 1.23 11 1 -2 o 206.372 206.921 180.00 2.08295 0.11 8 1 2 o 3110.758 3137.839 0.00 2.03843 2.09 13 2 -1 o 757.132 762.457 180.00 2.11088 0.17 5 4 1 o 50.673 51.799 180.00 2.06966 0.01 5 3 -2 o 949.106 913.715 180.00 2.05627 0.80 2 3 2 o 43.634 44.532 180.00 2.04016 0.03 13 1 1 o 0.312 0.325 0.00 2.04001 0.00 11 3 -1 o 3753.809 3765.445 0.00 2.08269 1.00 8 4 0 o 1956.031 1941.006 180.00 2.08416 2.44 12 0 -2 o 95.016 100.783 0.00 2.04098 0.07 12 2 1 o 1725.707 1542.954 0.00 2.02493 0.76 6 3 -2 o 47.150 41.376 0.00 2.02388 0.04 7 4 -1 o 262.058 245.701 180.00 2.05687 0.30 3 3 2 o 733.358 694.606 0.00 2.00418 0.45 7 2 2 o 52.778 49.716 0.00 1.98943 0.08 10 2 -2 o 881.652 795.448 0.00 2.02628 0.48 10 3 1 o 692.227 611.771 180.00 2.01257 0.15 6 4 1 o 450.520 390.687 180.00 2.01421 0.07 12 3 0 o 1.419 1.549 0.00 2.04227 0.00 15 1 0 o 1254.178 1392.224 0.00 2.04118 0.70 14 2 0 o 893.663 952.873 180.00 2.03564 0.51 4 3 2 o 926.243 897.930 180.00 1.96228 0.55 12 1 -2 o 3.020 2.977 180.00 1.99853 0.00 7 3 -2 o 3750.746 3456.523 0.00 1.98493 3.06 9 1 2 o 30.903 31.584 0.00 1.95509 0.03 15 1 -1 o 41.591 35.958 180.00 2.01177 0.01 8 4 -1 o 1951.084 1962.083 180.00 2.00047 1.64 9 4 0 o 37.559 33.600 180.00 2.00977 0.04 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180.00 1.48645 0.01 1 4 -3 o 51.817 54.875 180.00 1.46330 0.02 9 2 3 o 138.910 133.861 180.00 1.44486 0.05 7 5 2 o -0.961 37.075 180.00 1.46010 0.00 10 5 -2 o 88.333 92.612 0.00 1.47448 0.02 12 5 1 o 363.326 384.601 0.00 1.47396 0.08 5 4 -3 o 198.394 202.639 180.00 1.45876 0.08 15 1 -3 o 83.694 90.392 180.00 1.46558 0.00 20 2 0 o 40.295 35.874 180.00 1.49139 0.01 20 2 -1 o -4.237 200.447 180.00 1.49459 0.00 14 2 -3 o 253.470 249.539 0.00 1.45514 0.00 1 4 3 o 97.779 93.705 180.00 1.44668 0.03 6 4 -3 o 131.341 125.349 180.00 1.44979 0.05 17 3 -2 o 1749.692 1931.519 0.00 1.46987 0.60 8 6 -1 o 32.372 29.914 0.00 1.48091 0.03 14 3 2 o 268.018 257.721 180.00 1.44419 0.25 9 6 0 o 124.665 107.515 180.00 1.48467 0.08 21 1 -1 o -0.041 2.519 0.00 1.47956 0.00 12 3 -3 o 90.161 87.933 180.00 1.44112 0.02 7 6 1 o 615.486 660.035 180.00 1.46230 0.20 21 1 0 o 3.209 3.466 0.00 1.47356 0.00 14 5 0 o 453.508 446.733 0.00 1.47808 0.12 19 3 0 o 111.360 122.944 180.00 1.47234 0.03 7 4 -3 o 102.115 101.207 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