#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:20:15 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1226 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000030.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_4000030 loop_ _publ_author_name 'Thundathil, Mary A.' 'Jones, Camille Y.' 'Snyder, G. Jeffrey' 'Haile, Sossina M.' _publ_section_title ; Nonstoichiometry, Structure, and Electrical Properties of “SrPrO3” ; _journal_issue 20 _journal_name_full 'Chemistry of Materials' _journal_page_first 5146 _journal_page_last 5154 _journal_paper_doi 10.1021/cm050895k _journal_volume 17 _journal_year 2005 _chemical_formula_sum 'O Pr0.33 Sr0.32' _chemical_formula_weight 91.10 _space_group_IT_number 62 _space_group_name_Hall '-P 2c 2ab' _space_group_name_H-M_alt 'P b n m' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b n m' _audit_creation_date 2004-06-07T16:29 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2004-06-07T16:29 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 12 _cell_length_a 5.97469(17) _cell_length_b 6.11883(17) _cell_length_c 8.53249(24) _cell_volume 311.932(15) _computing_structure_refinement GSAS _diffrn_radiation_probe neutron _diffrn_radiation_wavelength 1.5398 _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 2004-06-07T16:29|SRPRO3_80K_PBNM|mary|1 _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.05 _pd_meas_2theta_range_max 167.95 _pd_meas_2theta_range_min 3.0 _pd_meas_number_of_points 3300 _pd_phase_name SrPrO3_300K _pd_proc_2theta_range_inc 0.05 _pd_proc_2theta_range_max 167.9933 _pd_proc_2theta_range_min 3.0433 _pd_proc_info_datetime 2004-06-07T16:29:39 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 14 terms. Shifted Chebyshev function of 1st kind 1: 129.690 2: -19.8403 3: 26.9325 4: 4.65874 5: 6.62281 6: -1.85601 7: 4.64037 8: -2.60379 9: 3.50988 10: 0.618197 11: 0.794745 12: -0.423208 13: 1.69707 14: -1.71819 ; _pd_proc_ls_peak_cutoff 0.00500 _pd_proc_ls_profile_function ; CW Profile function number 1 with 6 terms Profile coefficients for Simpson's rule integration of Gaussian function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. Cooper & Sayer, J. Appl. Cryst., 8, 615-618 (1975). Thomas, J. Appl. Cryst., 10, 12-13(1977). #1(U) = 336.822 #2(V) = -348.014 #3(W) = 209.563 #4(asym) = -0.3932 #5(F1) = 0.000 #6(F2) = 0.000 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 0.0314 _pd_proc_ls_prof_wR_expected 0.0342 _pd_proc_ls_prof_wR_factor 0.0397 _pd_proc_number_of_points 3300 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.17 _refine_ls_matrix_type full _refine_ls_number_parameters 52 _refine_ls_number_restraints 0 _refine_ls_R_Fsqd_factor 0.04961 _refine_ls_shift/su_max 0.00 _refine_ls_shift/su_mean 0.00 _reflns_d_resolution_high 0.782 _reflns_d_resolution_low 4.894 _reflns_limit_h_max 7 _reflns_limit_h_min 0 _reflns_limit_k_max 7 _reflns_limit_k_min 0 _reflns_limit_l_max 10 _reflns_limit_l_min 0 _reflns_number_observed 349 _cod_data_source_file cm050895ksi20050629_010526.cif _cod_data_source_block SRPRO3_80K_PBNM_publ _cod_original_cell_volume 311.93158 _cod_original_sg_symbol_H-M Pbnm _cod_database_code 4000030 _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+1/2 4 -x,-y,+z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,-z -3 -x+1/2,+y+1/2,-z+1/2 -4 +x,+y,-z+1/2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_22 _atom_site_aniso_U_23 _atom_site_aniso_U_33 SR1 0.0056(7) -0.0018(6) 0.0 0.0063(6) 0.0 0.0049(6) PR2 0.0025(10) -0.0026(8) 0.0004(9) 0.0054(10) -0.0010(5) 0.0016(8) O1 0.0113(7) -0.0009(6) 0.0 0.0082(6) 0.0 0.0008(7) O2 0.0110(5) -0.0029(5) 0.0021(5) 0.0070(5) -0.0019(4) 0.0104(5) 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 SR SR1 -0.01122(25) 0.04620(19) 0.25 0.963(6) Uani 0.0056 4 PR PR2 0.0 0.5 0.0 1.000(7) Uani 0.00318 4 O O1 0.10509(28) 0.45684(26) 0.25 1.0 Uani 0.00677 4 O O2 0.70067(18) 0.29863(20) 0.05634(14) 1.0 Uani 0.00946 8 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_length_neutron _atom_type_scat_source SR 3.854 0.7020 International_Tables_Vol_C PR 4.0 0.4580 International_Tables_Vol_C O 12.0 0.5803 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 SR1 SR1 SR1 93.99(6) 2_445 . 2_455 N SR1 SR1 PR2 52.783(6) 2_445 . 1_545 N SR1 SR1 PR2 126.36(4) 2_445 . 1_555 N SR1 SR1 PR2 52.694(31) 2_445 . 2_445 N SR1 SR1 PR2 120.148(22) 2_445 . 2_545 N SR1 SR1 PR2 52.694(31) 2_445 . 3_455 N SR1 SR1 PR2 120.148(22) 2_445 . 3_555 N SR1 SR1 PR2 52.783(6) 2_445 . 4_555 N SR1 SR1 PR2 126.36(4) 2_445 . 4_565 N SR1 SR1 O1 152.46(7) 2_445 . 1_555 N SR1 SR1 O1 120.30(5) 2_445 . 2_545 N SR1 SR1 O2 89.10(5) 2_445 . 1_455 N SR1 SR1 O2 41.535(34) 2_445 . 2_545 N SR1 SR1 O2 41.535(34) 2_445 . -3_656 N SR1 SR1 O2 89.10(5) 2_445 . -4_456 N SR1 SR1 PR2 128.89(4) 2_455 . 1_545 N SR1 SR1 PR2 55.474(7) 2_455 . 1_555 N SR1 SR1 PR2 60.522(33) 2_455 . 2_445 N SR1 SR1 PR2 127.799(22) 2_455 . 2_545 N SR1 SR1 PR2 60.522(33) 2_455 . 3_455 N SR1 SR1 PR2 127.799(22) 2_455 . 3_555 N SR1 SR1 PR2 128.89(4) 2_455 . 4_555 N SR1 SR1 PR2 55.474(7) 2_455 . 4_565 N SR1 SR1 O1 58.46(4) 2_455 . 1_555 N SR1 SR1 O1 145.70(6) 2_455 . 2_545 N SR1 SR1 O2 35.860(28) 2_455 . 1_455 N SR1 SR1 O2 97.68(6) 2_455 . 2_545 N SR1 SR1 O2 97.68(6) 2_455 . -3_656 N SR1 SR1 O2 35.860(28) 2_455 . -4_456 N PR2 SR1 PR2 109.8932(35) 1_545 . 1_555 N PR2 SR1 PR2 68.383(16) 1_545 . 2_445 N PR2 SR1 PR2 67.374(16) 1_545 . 2_545 N PR2 SR1 PR2 105.323(32) 1_545 . 3_455 N PR2 SR1 PR2 103.270(30) 1_545 . 3_555 N PR2 SR1 PR2 65.087(18) 1_545 . 4_555 N PR2 SR1 PR2 174.606(25) 1_545 . 4_565 N PR2 SR1 O1 143.883(28) 1_545 . 1_555 N PR2 SR1 O1 78.36(4) 1_545 . 2_545 N PR2 SR1 O2 98.946(32) 1_545 . 1_455 N PR2 SR1 O2 31.268(29) 1_545 . 2_545 N PR2 SR1 O2 81.56(4) 1_545 . -3_656 N PR2 SR1 O2 141.35(5) 1_545 . -4_456 N PR2 SR1 PR2 73.681(17) 1_555 . 2_445 N PR2 SR1 PR2 72.338(18) 1_555 . 2_545 N PR2 SR1 PR2 115.81(4) 1_555 . 3_455 N PR2 SR1 PR2 113.08(4) 1_555 . 3_555 N PR2 SR1 PR2 174.606(25) 1_555 . 4_555 N PR2 SR1 PR2 75.048(23) 1_555 . 4_565 N PR2 SR1 O1 39.710(17) 1_555 . 1_555 N PR2 SR1 O1 98.95(4) 1_555 . 2_545 N PR2 SR1 O2 39.345(24) 1_555 . 1_455 N PR2 SR1 O2 94.940(33) 1_555 . 2_545 N PR2 SR1 O2 152.58(6) 1_555 . -3_656 N PR2 SR1 O2 86.26(4) 1_555 . -4_456 N PR2 SR1 PR2 108.452(4) 2_445 . 2_545 N PR2 SR1 PR2 72.038(28) 2_445 . 3_455 N PR2 SR1 PR2 171.11(4) 2_445 . 3_555 N PR2 SR1 PR2 105.323(32) 2_445 . 4_555 N PR2 SR1 PR2 115.81(4) 2_445 . 4_565 N PR2 SR1 O1 106.84(4) 2_445 . 1_555 N PR2 SR1 O1 140.196(24) 2_445 . 2_545 N PR2 SR1 O2 38.089(27) 2_445 . 1_455 N PR2 SR1 O2 37.173(30) 2_445 . 2_545 N PR2 SR1 O2 88.69(5) 2_445 . -3_656 N PR2 SR1 O2 84.07(4) 2_445 . -4_456 N PR2 SR1 PR2 171.11(4) 2_545 . 3_455 N PR2 SR1 PR2 69.630(26) 2_545 . 3_555 N PR2 SR1 PR2 103.270(30) 2_545 . 4_555 N PR2 SR1 PR2 113.08(4) 2_545 . 4_565 N PR2 SR1 O1 81.66(4) 2_545 . 1_555 N PR2 SR1 O1 35.498(15) 2_545 . 2_545 N PR2 SR1 O2 101.788(25) 2_545 . 1_455 N PR2 SR1 O2 86.971(34) 2_545 . 2_545 N PR2 SR1 O2 134.31(5) 2_545 . -3_656 N PR2 SR1 O2 150.24(5) 2_545 . -4_456 N PR2 SR1 PR2 108.452(4) 3_455 . 3_555 N PR2 SR1 PR2 68.383(16) 3_455 . 4_555 N PR2 SR1 PR2 73.681(17) 3_455 . 4_565 N PR2 SR1 O1 106.84(4) 3_455 . 1_555 N PR2 SR1 O1 140.196(24) 3_455 . 2_545 N PR2 SR1 O2 84.07(4) 3_455 . 1_455 N PR2 SR1 O2 88.69(5) 3_455 . 2_545 N PR2 SR1 O2 37.173(30) 3_455 . -3_656 N PR2 SR1 O2 38.089(27) 3_455 . -4_456 N PR2 SR1 PR2 67.374(16) 3_555 . 4_555 N PR2 SR1 PR2 72.338(18) 3_555 . 4_565 N PR2 SR1 O1 81.66(4) 3_555 . 1_555 N PR2 SR1 O1 35.498(15) 3_555 . 2_545 N PR2 SR1 O2 150.24(5) 3_555 . 1_455 N PR2 SR1 O2 134.31(5) 3_555 . 2_545 N PR2 SR1 O2 86.971(34) 3_555 . -3_656 N PR2 SR1 O2 101.788(25) 3_555 . -4_456 N PR2 SR1 PR2 109.8932(35) 4_555 . 4_565 N PR2 SR1 O1 143.883(28) 4_555 . 1_555 N PR2 SR1 O1 78.36(4) 4_555 . 2_545 N PR2 SR1 O2 141.35(5) 4_555 . 1_455 N PR2 SR1 O2 81.56(4) 4_555 . 2_545 N PR2 SR1 O2 31.268(29) 4_555 . -3_656 N PR2 SR1 O2 98.946(32) 4_555 . -4_456 N PR2 SR1 O1 39.710(17) 4_565 . 1_555 N PR2 SR1 O1 98.95(4) 4_565 . 2_545 N PR2 SR1 O2 86.26(4) 4_565 . 1_455 N PR2 SR1 O2 152.58(6) 4_565 . 2_545 N PR2 SR1 O2 94.940(33) 4_565 . -3_656 N PR2 SR1 O2 39.345(24) 4_565 . -4_456 N O1 SR1 O1 87.24(5) 1_555 . 2_545 N O1 SR1 O2 68.76(5) 1_555 . 1_455 N O1 SR1 O2 134.55(4) 1_555 . 2_545 N O1 SR1 O2 134.55(4) 1_555 . -3_656 N O1 SR1 O2 68.76(5) 1_555 . -4_456 N O1 SR1 O2 135.26(4) 2_545 . 1_455 N O1 SR1 O2 107.88(5) 2_545 . 2_545 N O1 SR1 O2 107.88(5) 2_545 . -3_656 N O1 SR1 O2 135.26(4) 2_545 . -4_456 N O2 SR1 O2 70.87(4) 1_455 . 2_545 N O2 SR1 O2 115.94(6) 1_455 . -3_656 N O2 SR1 O2 71.09(5) 1_455 . -4_456 N O2 SR1 O2 82.30(7) 2_545 . -3_656 N O2 SR1 O2 115.94(6) 2_545 . -4_456 N O2 SR1 O2 70.87(4) -3_656 . -4_456 N SR1 PR2 SR1 109.8932(35) 1_555 . 1_565 N SR1 PR2 SR1 71.832(28) 1_555 . 2_455 N SR1 PR2 SR1 74.210(28) 1_555 . 2_555 N SR1 PR2 SR1 105.790(28) 1_555 . 3_454 N SR1 PR2 SR1 108.168(28) 1_555 . 3_554 N SR1 PR2 SR1 70.1068(35) 1_555 . 4_554 N SR1 PR2 SR1 179.972 1_555 . 4_564 N SR1 PR2 O1 48.06(4) 1_555 . 1_555 N SR1 PR2 O1 131.94(4) 1_555 . 4_564 N SR1 PR2 O2 54.11(4) 1_555 . 1_455 N SR1 PR2 O2 120.42(4) 1_555 . 2_555 N SR1 PR2 O2 125.89(4) 1_555 . -1_665 N SR1 PR2 O2 59.58(4) 1_555 . -2_565 N SR1 PR2 SR1 66.695(29) 1_565 . 2_455 N SR1 PR2 SR1 69.080(30) 1_565 . 2_555 N SR1 PR2 SR1 110.920(30) 1_565 . 3_454 N SR1 PR2 SR1 113.305(29) 1_565 . 3_554 N SR1 PR2 SR1 180.0 1_565 . 4_554 N SR1 PR2 SR1 70.1068(35) 1_565 . 4_564 N SR1 PR2 O1 65.90(4) 1_565 . 1_555 N SR1 PR2 O1 114.10(4) 1_565 . 4_564 N SR1 PR2 O2 109.70(4) 1_565 . 1_455 N SR1 PR2 O2 35.625(35) 1_565 . 2_555 N SR1 PR2 O2 70.30(4) 1_565 . -1_665 N SR1 PR2 O2 144.375(35) 1_565 . -2_565 N SR1 PR2 SR1 108.452(4) 2_455 . 2_555 N SR1 PR2 SR1 71.548(4) 2_455 . 3_454 N SR1 PR2 SR1 180.0 2_455 . 3_554 N SR1 PR2 SR1 113.305(29) 2_455 . 4_554 N SR1 PR2 SR1 108.168(28) 2_455 . 4_564 N SR1 PR2 O1 71.02(4) 2_455 . 1_555 N SR1 PR2 O1 108.98(4) 2_455 . 4_564 N SR1 PR2 O2 43.012(35) 2_455 . 1_455 N SR1 PR2 O2 51.59(4) 2_455 . 2_555 N SR1 PR2 O2 136.988(35) 2_455 . -1_665 N SR1 PR2 O2 128.41(4) 2_455 . -2_565 N SR1 PR2 SR1 179.9802 2_555 . 3_454 N SR1 PR2 SR1 71.548(4) 2_555 . 3_554 N SR1 PR2 SR1 110.920(30) 2_555 . 4_554 N SR1 PR2 SR1 105.790(28) 2_555 . 4_564 N SR1 PR2 O1 40.17(4) 2_555 . 1_555 N SR1 PR2 O1 139.83(4) 2_555 . 4_564 N SR1 PR2 O2 125.16(4) 2_555 . 1_455 N SR1 PR2 O2 104.689(32) 2_555 . 2_555 N SR1 PR2 O2 54.84(4) 2_555 . -1_665 N SR1 PR2 O2 75.311(32) 2_555 . -2_565 N SR1 PR2 SR1 108.452(4) 3_454 . 3_554 N SR1 PR2 SR1 69.080(30) 3_454 . 4_554 N SR1 PR2 SR1 74.210(28) 3_454 . 4_564 N SR1 PR2 O1 139.83(4) 3_454 . 1_555 N SR1 PR2 O1 40.17(4) 3_454 . 4_564 N SR1 PR2 O2 54.84(4) 3_454 . 1_455 N SR1 PR2 O2 75.311(32) 3_454 . 2_555 N SR1 PR2 O2 125.16(4) 3_454 . -1_665 N SR1 PR2 O2 104.689(32) 3_454 . -2_565 N SR1 PR2 SR1 66.695(29) 3_554 . 4_554 N SR1 PR2 SR1 71.832(28) 3_554 . 4_564 N SR1 PR2 O1 108.98(4) 3_554 . 1_555 N SR1 PR2 O1 71.02(4) 3_554 . 4_564 N SR1 PR2 O2 136.988(35) 3_554 . 1_455 N SR1 PR2 O2 128.41(4) 3_554 . 2_555 N SR1 PR2 O2 43.012(35) 3_554 . -1_665 N SR1 PR2 O2 51.59(4) 3_554 . -2_565 N SR1 PR2 SR1 109.8932(35) 4_554 . 4_564 N SR1 PR2 O1 114.10(4) 4_554 . 1_555 N SR1 PR2 O1 65.90(4) 4_554 . 4_564 N SR1 PR2 O2 70.30(4) 4_554 . 1_455 N SR1 PR2 O2 144.374(35) 4_554 . 2_555 N SR1 PR2 O2 109.70(4) 4_554 . -1_665 N SR1 PR2 O2 35.625(35) 4_554 . -2_565 N SR1 PR2 O1 131.94(4) 4_564 . 1_555 N SR1 PR2 O1 48.06(4) 4_564 . 4_564 N SR1 PR2 O2 125.89(4) 4_564 . 1_455 N SR1 PR2 O2 59.58(4) 4_564 . 2_555 N SR1 PR2 O2 54.11(4) 4_564 . -1_665 N SR1 PR2 O2 120.42(4) 4_564 . -2_565 N O1 PR2 O1 180.0 1_555 . 4_564 N O1 PR2 O2 87.38(5) 1_555 . 1_455 N O1 PR2 O2 92.40(5) 1_555 . 2_555 N O1 PR2 O2 92.62(5) 1_555 . -1_665 N O1 PR2 O2 87.60(5) 1_555 . -2_565 N O1 PR2 O2 92.62(5) 4_564 . 1_455 N O1 PR2 O2 87.60(5) 4_564 . 2_555 N O1 PR2 O2 87.38(5) 4_564 . -1_665 N O1 PR2 O2 92.40(5) 4_564 . -2_565 N O2 PR2 O2 88.575(17) 1_455 . 2_555 N O2 PR2 O2 180.0 1_455 . -1_665 N O2 PR2 O2 91.425(17) 1_455 . -2_565 N O2 PR2 O2 91.425(17) 2_555 . -1_665 N O2 PR2 O2 180.0 2_555 . -2_565 N O2 PR2 O2 88.575(17) -1_665 . -2_565 N SR1 O1 SR1 118.16(7) 1_555 . 2_555 N SR1 O1 PR2 92.23(4) 1_555 . 1_555 N SR1 O1 PR2 92.23(4) 1_555 . 4_565 N SR1 O1 PR2 104.34(4) 2_555 . 1_555 N SR1 O1 PR2 104.34(4) 2_555 . 4_565 N PR2 O1 PR2 144.58(8) 1_555 . 4_565 N SR1 O2 SR1 102.61(5) 1_655 . 2_555 N SR1 O2 PR2 86.54(5) 1_655 . 1_655 N SR1 O2 PR2 90.32(5) 1_655 . 2_545 N SR1 O2 PR2 99.81(5) 2_555 . 1_655 N SR1 O2 PR2 113.11(5) 2_555 . 2_545 N PR2 O2 PR2 146.79(5) 1_655 . 2_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 SR1 SR1 4.1834(20) . 2_445 N SR1 SR1 4.1834(20) . 2_455 N SR1 SR1 4.3707(21) . 2_545 N SR1 SR1 4.3707(21) . 2_555 N SR1 SR1 4.30563(34) . 4_554 N SR1 SR1 4.30563(34) . 4_555 N SR1 PR2 3.9654(10) . 1_545 N SR1 PR2 3.5021(9) . 1_555 N SR1 PR2 3.6274(12) . 2_445 N SR1 PR2 3.7362(12) . 2_545 N SR1 PR2 3.6274(12) . 3_455 N SR1 PR2 3.7362(12) . 3_555 N SR1 PR2 3.9654(10) . 4_555 N SR1 PR2 3.5021(9) . 4_565 N SR1 O1 2.6070(18) . 1_555 N SR1 O1 2.4873(22) . 2_545 N SR1 O2 2.8424(17) . 1_455 N SR1 O2 2.5112(16) . 2_545 N SR1 O2 3.0555(15) . 3_455 N SR1 O2 3.0555(15) . -2_565 N SR1 O2 2.5112(16) . -3_656 N SR1 O2 2.8424(17) . -4_456 N PR2 SR1 3.5021(9) . 1_555 N PR2 SR1 3.9654(10) . 1_565 N PR2 SR1 3.6274(12) . 2_455 N PR2 SR1 3.7362(12) . 2_555 N PR2 SR1 3.7362(12) . 3_454 N PR2 SR1 3.6274(12) . 3_554 N PR2 SR1 3.9654(10) . 4_554 N PR2 SR1 3.5021(9) . 4_564 N PR2 O1 2.2392(5) . 1_555 N PR2 O1 2.2392(5) . 4_564 N PR2 O2 2.2243(10) . 1_455 N PR2 O2 2.2377(11) . 2_555 N PR2 O2 2.2243(10) . -1_665 N PR2 O2 2.2377(11) . -2_565 N O1 SR1 2.6070(18) . 1_555 N O1 SR1 2.4873(22) . 2_555 N O1 PR2 2.2392(5) . 1_555 N O1 PR2 2.2392(5) . 4_565 N O2 SR1 2.8424(17) . 1_655 N O2 SR1 2.5112(16) . 2_555 N O2 SR1 3.0555(15) . 3_554 N O2 PR2 2.2243(10) . 1_655 N O2 PR2 2.2377(11) . 2_545 N loop_ _pd_meas_intensity_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 337(17) 0.0 249.3 . 347(17) 0.0 247.5 . 342(17) 0.0 245.7 . 319(17) 0.0 243.9 . 315(17) 0.0 242.1 . 288(16) 0.0 240.4 . 291(16) 0.0 238.7 . 253(15) 0.0 237.0 . 273(15) 0.0 235.4 . 244(15) 0.0 233.8 . 237(14) 0.0 232.2 . 245(15) 0.0 230.7 . 223(14) 0.0 229.1 . 224(14) 0.0 227.6 . 214(14) 0.0 226.2 . 234(14) 0.0 224.7 . 202(13) 0.0 223.3 . 240(14) 0.0 221.9 . 214(14) 0.0 220.5 . 238(14) 0.0 219.2 . 248(15) 0.0 217.9 . 208(13) 0.0 216.6 . 204(13) 0.0 215.3 . 230(14) 0.0 214.0 . 198(13) 0.0 212.8 . 215(14) 0.0 211.6 . 204(13) 0.0 210.4 . 208(13) 0.0 209.3 . 213(14) 0.0 208.1 . 223(14) 0.0 207.0 . 194(13) 0.0 205.9 . 218(14) 0.0 204.8 . 188(13) 0.0 203.8 . 191(13) 0.0 202.7 . 201(13) 0.0 201.7 . 181(12) 0.0 200.7 . 170(12) 0.0 199.7 . 181(12) 0.0 198.7 . 214(14) 0.0 197.8 . 173(12) 0.0 196.9 . 179(12) 0.0 195.9 . 176(12) 0.00694 195.1 195.1 174(12) 0.00694 194.2 194.2 202(13) 0.00592 193.3 193.3 164(12) 0.00694 192.5 192.5 188(13) 0.00592 191.6 191.6 205(13) 0.00592 190.8 190.8 200(13) 0.00592 190.0 190.0 194(13) 0.00592 189.3 189.3 187(13) 0.00592 188.5 188.5 201(13) 0.00592 187.7 187.7 197(13) 0.00592 187.0 187.0 161(12) 0.00694 186.3 186.3 182(12) 0.00694 185.6 185.6 194(13) 0.00592 184.9 184.9 200(13) 0.00592 184.2 184.2 187(13) 0.00592 183.5 183.5 169(12) 0.00694 182.9 182.9 157(12) 0.00694 182.2 182.2 173(12) 0.00694 181.6 181.6 184(13) 0.00592 181.0 181.0 177(12) 0.00694 180.4 180.4 176(12) 0.00694 179.8 179.8 173(12) 0.00694 179.2 179.2 191(13) 0.00592 178.7 178.7 167(12) 0.00694 178.1 178.1 177(12) 0.00694 177.6 177.6 173(12) 0.00694 177.0 177.0 175(12) 0.00694 176.5 176.5 182(12) 0.00694 176.0 176.0 173(12) 0.00694 175.5 175.5 180(12) 0.00694 175.0 175.0 187(13) 0.00592 174.5 174.5 182(12) 0.00694 174.0 174.0 178(12) 0.00694 173.6 173.6 167(12) 0.00694 173.1 173.1 181(12) 0.00694 172.7 172.7 182(13) 0.00592 172.3 172.3 177(12) 0.00694 171.8 171.8 200(13) 0.00592 171.4 171.4 174(12) 0.00694 171.0 171.0 175(12) 0.00694 170.6 170.6 167(12) 0.00694 170.2 170.2 160(12) 0.00694 169.8 169.8 187(13) 0.00592 169.5 169.5 167(12) 0.00694 169.1 169.1 184(13) 0.00592 168.8 168.8 182(12) 0.00694 168.4 168.4 168(12) 0.00694 168.1 168.1 178(12) 0.00694 167.7 167.7 158(12) 0.00694 167.4 167.4 161(12) 0.00694 167.1 167.1 163(12) 0.00694 166.8 166.8 164(12) 0.00694 166.5 166.5 174(12) 0.00694 166.2 166.2 150(11) 0.00826 165.9 165.9 164(12) 0.00694 165.6 165.6 169(12) 0.00694 165.3 165.3 167(12) 0.00694 165.0 165.0 165(12) 0.00694 164.8 164.8 176(8) 0.01563 164.5 164.5 190(9) 0.01235 164.2 164.2 176(8) 0.01563 164.0 164.0 153(8) 0.01563 163.7 163.7 148(8) 0.01563 163.5 163.5 160(8) 0.01563 163.3 163.3 160(8) 0.01563 163.0 163.0 168(8) 0.01563 162.8 162.8 175(8) 0.01563 162.6 162.6 182(9) 0.01235 162.4 162.4 158(8) 0.01563 162.2 162.2 154(8) 0.01563 162.0 162.0 150(8) 0.01563 161.8 161.8 163(8) 0.01563 161.6 161.6 175(8) 0.01563 161.4 161.4 173(8) 0.01563 161.2 161.2 161(8) 0.01563 161.0 161.0 169(8) 0.01563 160.8 160.8 171(8) 0.01563 160.7 160.7 167(8) 0.01563 160.5 160.5 172(8) 0.01563 160.3 160.3 158(8) 0.01563 160.1 160.1 157(8) 0.01563 160.0 160.0 157(8) 0.01563 159.8 159.8 164(8) 0.01563 159.7 159.7 160(8) 0.01563 159.5 159.5 166(8) 0.01563 159.4 159.4 161(8) 0.01563 159.2 159.2 161(8) 0.01563 159.1 159.1 153(8) 0.01563 159.0 159.0 154(8) 0.01563 158.8 158.8 160(8) 0.01563 158.7 158.7 158(8) 0.01563 158.6 158.6 154(8) 0.01563 158.4 158.4 162(8) 0.01563 158.3 158.3 150(8) 0.01563 158.2 158.2 155(8) 0.01563 158.1 158.1 165(8) 0.01563 157.9 157.9 160(8) 0.01563 157.8 157.8 170(8) 0.01563 157.7 157.7 157(8) 0.01563 157.6 157.6 147(8) 0.01563 157.5 157.5 156(8) 0.01563 157.4 157.4 164(8) 0.01563 157.3 157.3 150(8) 0.01563 157.2 157.2 158(8) 0.01563 157.1 157.1 152(8) 0.01563 157.0 157.0 157(8) 0.01563 156.9 156.9 156(8) 0.01563 156.8 156.8 148(8) 0.01563 156.7 156.7 140(7) 0.02041 156.6 156.6 153(8) 0.01563 156.5 156.5 155(8) 0.01563 156.4 156.4 154(8) 0.01563 156.4 156.4 162(8) 0.01563 156.3 156.3 149(8) 0.01563 156.2 156.2 139(7) 0.02041 156.1 156.1 156(8) 0.01563 156.0 156.0 157(8) 0.01563 155.9 155.9 155(8) 0.01563 155.9 155.9 166(8) 0.01563 155.8 155.8 151(8) 0.01563 155.7 155.7 152(8) 0.01563 155.6 155.6 150(8) 0.01563 155.6 155.6 155(8) 0.01563 155.5 155.5 159(8) 0.01563 155.4 155.4 158(8) 0.01563 155.4 155.4 156(8) 0.01563 155.3 155.3 146(8) 0.01563 155.2 155.2 159(8) 0.01563 155.2 155.2 144(8) 0.01563 155.1 155.1 158(8) 0.01563 155.0 155.0 164(8) 0.01563 155.0 155.0 152(8) 0.01563 154.9 154.9 154(8) 0.01563 154.8 154.8 165(8) 0.01563 154.8 154.8 141(7) 0.02041 154.7 154.7 148(8) 0.01563 154.6 154.6 169(8) 0.01563 154.6 154.6 160(8) 0.01563 154.5 154.5 159(8) 0.01563 154.5 154.5 158(8) 0.01563 154.4 154.4 155(8) 0.01563 154.3 154.3 161(8) 0.01563 154.3 154.3 145(8) 0.01563 154.2 154.2 151(8) 0.01563 154.2 154.2 165(8) 0.01563 154.1 154.1 147(8) 0.01563 154.1 154.1 150(8) 0.01563 154.0 154.0 153(8) 0.01563 153.9 153.9 160(8) 0.01563 153.9 153.9 157(8) 0.01563 153.8 153.8 147(8) 0.01563 153.8 153.8 149(8) 0.01563 153.7 153.7 157(8) 0.01563 153.7 153.7 154(8) 0.01563 153.6 153.6 173(8) 0.01563 153.6 153.6 142(7) 0.02041 153.5 153.5 141(7) 0.02041 153.5 153.5 145(8) 0.01563 153.4 153.4 144(8) 0.01563 153.4 153.4 139(7) 0.02041 153.3 153.3 139(7) 0.02041 153.2 153.2 143(8) 0.01563 153.2 153.2 152(8) 0.01563 153.1 153.1 160(8) 0.01563 153.1 153.1 158(8) 0.01563 153.0 153.0 148(8) 0.01563 153.0 153.0 154(8) 0.01563 152.9 152.9 157(8) 0.01563 152.9 152.9 154(8) 0.01563 152.8 152.8 140(7) 0.02041 152.8 152.8 150(8) 0.01563 152.7 152.7 158(8) 0.01563 152.7 152.7 151(8) 0.01563 152.6 152.6 146(8) 0.01563 152.6 152.6 153(8) 0.01563 152.5 152.5 152(8) 0.01563 152.4 152.4 169(8) 0.01563 152.4 152.4 162(8) 0.01563 152.3 152.3 149(8) 0.01563 152.3 152.3 154(8) 0.01563 152.2 152.2 152(8) 0.01563 152.2 152.2 157(8) 0.01563 152.1 152.1 161(8) 0.01563 152.1 152.1 149(8) 0.01563 152.0 152.0 144(8) 0.01563 152.0 152.0 155(8) 0.01563 151.9 151.9 144(8) 0.01563 151.9 151.9 145(8) 0.01563 151.8 151.8 149(8) 0.01563 151.8 151.8 141(7) 0.02041 151.7 151.7 147(8) 0.01563 151.6 151.6 151(8) 0.01563 151.6 151.6 149(8) 0.01563 151.5 151.5 135(7) 0.02041 151.5 151.5 152(8) 0.01563 151.4 151.4 166(8) 0.01563 151.4 151.4 157(8) 0.01563 151.3 151.3 153(8) 0.01563 151.3 151.3 153(8) 0.01563 151.2 151.2 156(8) 0.01563 151.1 151.1 155(8) 0.01563 151.1 151.1 153(8) 0.01563 151.0 151.0 159(8) 0.01563 151.0 151.0 150(8) 0.01563 150.9 150.9 156(8) 0.01563 150.9 150.9 166(8) 0.01563 150.8 150.8 157(8) 0.01563 150.7 150.7 154(8) 0.01563 150.7 150.7 148(8) 0.01563 150.6 150.6 147(8) 0.01563 150.6 150.6 148(8) 0.01563 150.5 150.5 138(7) 0.02041 150.5 150.5 148(8) 0.01563 150.4 150.4 151(8) 0.01563 150.3 150.3 143(8) 0.01563 150.3 150.3 143(8) 0.01563 150.2 150.2 147(8) 0.01563 150.2 150.2 149(8) 0.01563 150.1 150.1 147(8) 0.01563 150.1 150.1 156(8) 0.01563 150.0 150.0 148(8) 0.01563 149.9 149.9 147(8) 0.01563 149.9 149.9 141(7) 0.02041 149.8 149.8 149(8) 0.01563 149.8 149.8 149(8) 0.01563 149.7 149.7 144(8) 0.01563 149.6 149.6 149(8) 0.01563 149.6 149.6 152(8) 0.01563 149.5 149.5 148(8) 0.01563 149.5 149.5 152(8) 0.01563 149.4 149.4 149(8) 0.01563 149.3 149.3 151(8) 0.01563 149.3 149.3 166(8) 0.01563 149.2 149.2 168(8) 0.01563 149.2 149.2 150(8) 0.01563 149.1 149.1 155(8) 0.01563 149.0 149.0 157(8) 0.01563 149.0 149.0 155(8) 0.01563 148.9 148.9 141(7) 0.02041 148.9 148.9 149(8) 0.01563 148.8 148.8 154(8) 0.01563 148.7 148.7 155(8) 0.01563 148.7 148.7 147(8) 0.01563 148.6 148.6 146(8) 0.01563 148.5 148.5 161(8) 0.01563 148.5 148.5 148(8) 0.01563 148.4 148.4 138(7) 0.02041 148.4 148.4 137(7) 0.02041 148.3 148.3 152(8) 0.01563 148.2 148.2 147(8) 0.01563 148.2 148.2 136(7) 0.02041 148.1 148.1 153(8) 0.01563 148.1 148.1 143(8) 0.01563 148.0 148.1 144(8) 0.01563 147.9 148.3 149(8) 0.01563 147.9 148.7 155(8) 0.01563 147.8 149.5 163(8) 0.01563 147.8 150.8 156(8) 0.01563 147.7 152.3 159(12) 0.00694 147.6 153.6 146(8) 0.01563 147.6 154.3 166(8) 0.01563 147.5 154.0 167(8) 0.01563 147.4 152.8 158(8) 0.01563 147.4 151.2 159(8) 0.01563 147.3 149.6 146(8) 0.01563 147.3 148.5 139(8) 0.01563 147.2 147.7 147(8) 0.01563 147.1 147.3 151(8) 0.01563 147.1 147.2 154(8) 0.01563 147.0 147.0 157(8) 0.01563 147.0 147.0 153(8) 0.01563 146.9 146.9 152(8) 0.01563 146.8 146.8 146(8) 0.01563 146.8 146.8 149(8) 0.01563 146.7 146.7 145(8) 0.01563 146.7 146.7 150(8) 0.01563 146.6 146.6 144(8) 0.01563 146.5 146.5 144(8) 0.01563 146.5 146.5 145(8) 0.01563 146.4 146.4 144(8) 0.01563 146.4 146.4 135(7) 0.02041 146.3 146.3 141(8) 0.01563 146.2 146.2 152(8) 0.01563 146.2 146.2 154(8) 0.01563 146.1 146.1 136(7) 0.02041 146.1 146.1 143(8) 0.01563 146.0 146.0 147(8) 0.01563 146.0 146.0 160(8) 0.01563 145.9 145.9 144(8) 0.01563 145.8 145.8 153(8) 0.01563 145.8 145.8 139(8) 0.01563 145.7 145.7 145(8) 0.01563 145.7 145.7 136(7) 0.02041 145.6 145.6 147(8) 0.01563 145.5 145.5 139(8) 0.01563 145.5 145.5 148(8) 0.01563 145.4 145.4 145(8) 0.01563 145.4 145.4 156(8) 0.01563 145.3 145.3 153(8) 0.01563 145.3 145.3 150(8) 0.01563 145.2 145.2 150(8) 0.01563 145.2 145.2 138(8) 0.01563 145.1 145.1 148(8) 0.01563 145.0 145.1 147(8) 0.01563 145.0 145.0 145(8) 0.01563 144.9 145.0 145(8) 0.01563 144.9 145.2 155(8) 0.01563 144.8 145.8 160(8) 0.01563 144.8 147.1 153(8) 0.01563 144.7 149.8 144(8) 0.01563 144.7 153.9 158(8) 0.01563 144.6 159.0 161(8) 0.01563 144.6 163.8 160(8) 0.01563 144.5 166.5 159(8) 0.01563 144.5 165.8 172(8) 0.01563 144.4 162.2 164(8) 0.01563 144.4 157.0 161(8) 0.01563 144.3 152.0 147(8) 0.01563 144.3 148.3 148(8) 0.01563 144.2 146.0 149(8) 0.01563 144.2 144.8 164(8) 0.01563 144.1 144.3 152(8) 0.01563 144.1 144.1 147(8) 0.01563 144.0 144.0 138(8) 0.01563 144.0 144.0 159(8) 0.01563 143.9 143.9 145(8) 0.01563 143.9 143.9 143(8) 0.01563 143.8 143.8 136(7) 0.02041 143.8 143.8 136(7) 0.02041 143.7 143.7 136(7) 0.02041 143.7 143.7 142(8) 0.01563 143.6 143.6 135(7) 0.02041 143.6 143.6 141(8) 0.01563 143.5 143.5 147(8) 0.01563 143.5 143.5 147(8) 0.01563 143.4 143.4 139(8) 0.01563 143.4 143.4 138(8) 0.01563 143.4 143.4 137(7) 0.02041 143.3 143.3 142(8) 0.01563 143.3 143.3 147(8) 0.01563 143.2 143.2 152(8) 0.01563 143.2 143.2 149(8) 0.01563 143.1 143.1 149(8) 0.01563 143.1 143.1 127(7) 0.02041 143.1 143.1 141(8) 0.01563 143.0 143.0 155(8) 0.01563 143.0 143.0 144(8) 0.01563 142.9 142.9 136(7) 0.02041 142.9 142.9 145(8) 0.01563 142.8 142.8 139(8) 0.01563 142.8 142.8 134(7) 0.02041 142.8 142.8 144(8) 0.01563 142.7 142.7 152(8) 0.01563 142.7 142.7 163(8) 0.01563 142.7 142.7 150(8) 0.01563 142.6 142.9 133(7) 0.02041 142.6 143.6 143(8) 0.01563 142.5 145.7 145(8) 0.01563 142.5 150.3 160(8) 0.01563 142.5 158.8 171(8) 0.01563 142.4 171.6 184(8) 0.01563 142.4 186.7 210(9) 0.01235 142.4 199.5 216(9) 0.01235 142.3 204.8 202(9) 0.01235 142.3 200.2 178(8) 0.01563 142.3 187.9 164(8) 0.01563 142.2 172.7 160(8) 0.01563 142.2 159.5 148(7) 0.02041 142.2 150.5 145(7) 0.02041 142.1 145.5 147(7) 0.02041 142.1 143.3 142(7) 0.02041 142.1 142.4 146(7) 0.02041 142.0 142.1 129(7) 0.02041 142.0 142.0 134(7) 0.02041 142.0 142.0 133(7) 0.02041 141.9 141.9 158(8) 0.01563 141.9 141.9 138(7) 0.02041 141.9 141.9 147(7) 0.02041 141.9 141.9 154(8) 0.01563 141.8 141.8 147(7) 0.02041 141.8 141.8 134(7) 0.02041 141.8 141.8 144(7) 0.02041 141.7 141.7 147(7) 0.02041 141.7 141.7 140(7) 0.02041 141.7 141.7 138(7) 0.02041 141.7 141.7 147(7) 0.02041 141.6 141.6 141(7) 0.02041 141.6 141.6 151(7) 0.02041 141.6 141.6 144(7) 0.02041 141.6 141.6 154(8) 0.01563 141.5 141.5 146(7) 0.02041 141.5 141.5 133(7) 0.02041 141.5 141.5 142(7) 0.02041 141.5 141.5 147(7) 0.02041 141.5 141.5 152(7) 0.02041 141.4 141.4 133(7) 0.02041 141.4 141.4 145(7) 0.02041 141.4 141.4 152(7) 0.02041 141.4 141.4 146(7) 0.02041 141.4 141.4 142(7) 0.02041 141.3 141.3 143(7) 0.02041 141.3 141.3 136(7) 0.02041 141.3 141.3 145(7) 0.02041 141.3 141.3 139(7) 0.02041 141.3 141.3 144(7) 0.02041 141.2 141.2 152(7) 0.02041 141.2 141.2 135(7) 0.02041 141.2 141.2 148(7) 0.02041 141.2 141.2 137(7) 0.02041 141.2 141.2 144(7) 0.02041 141.2 141.2 153(8) 0.01563 141.1 141.1 149(7) 0.02041 141.1 141.1 146(7) 0.02041 141.1 141.1 135(7) 0.02041 141.1 141.1 136(7) 0.02041 141.1 141.1 137(7) 0.02041 141.1 141.1 139(7) 0.02041 141.1 141.1 151(7) 0.02041 141.0 141.0 144(7) 0.02041 141.0 141.0 142(7) 0.02041 141.0 141.0 143(7) 0.02041 141.0 141.0 141(7) 0.02041 141.0 141.0 141(7) 0.02041 141.0 141.0 136(7) 0.02041 141.0 141.0 131(7) 0.02041 141.0 141.0 138(7) 0.02041 140.9 140.9 141(7) 0.02041 140.9 140.9 143(7) 0.02041 140.9 140.9 152(7) 0.02041 140.9 140.9 149(7) 0.02041 140.9 140.9 143(7) 0.02041 140.9 140.9 136(7) 0.02041 140.9 140.9 152(7) 0.02041 140.9 140.9 136(7) 0.02041 140.9 140.9 145(7) 0.02041 140.9 140.9 139(7) 0.02041 140.9 140.9 136(7) 0.02041 140.9 140.9 146(7) 0.02041 140.8 140.8 130(7) 0.02041 140.8 140.8 142(7) 0.02041 140.8 140.8 139(7) 0.02041 140.8 140.8 144(7) 0.02041 140.8 140.8 149(7) 0.02041 140.8 140.8 132(7) 0.02041 140.8 140.8 137(7) 0.02041 140.8 140.8 136(7) 0.02041 140.8 140.8 152(8) 0.01563 140.8 140.8 138(7) 0.02041 140.8 140.8 140(7) 0.02041 140.8 140.8 143(7) 0.02041 140.8 140.8 137(7) 0.02041 140.8 140.8 141(7) 0.02041 140.8 140.8 142(7) 0.02041 140.8 140.8 143(7) 0.02041 140.8 140.8 139(7) 0.02041 140.8 140.8 136(7) 0.02041 140.8 140.8 139(7) 0.02041 140.8 140.8 143(7) 0.02041 140.8 140.8 129(7) 0.02041 140.8 140.8 148(7) 0.02041 140.8 140.8 152(7) 0.02041 140.8 140.8 144(7) 0.02041 140.8 140.8 139(7) 0.02041 140.8 140.8 126(7) 0.02041 140.8 140.8 140(7) 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0.02778 109.8 181.3 170(5) 0.0400 109.7 161.0 143(5) 0.0400 109.7 142.0 131(5) 0.0400 109.7 127.4 121(4) 0.0625 109.7 118.0 112(4) 0.0625 109.7 113.1 115(4) 0.0625 109.6 110.8 108(4) 0.0625 109.6 110.0 112(4) 0.0625 109.6 109.8 116(4) 0.0625 109.6 110.0 112(4) 0.0625 109.5 110.8 117(4) 0.0625 109.5 113.3 125(4) 0.0625 109.5 119.2 133(5) 0.0400 109.5 130.8 150(5) 0.0400 109.5 149.7 174(5) 0.0400 109.4 175.0 203(6) 0.02778 109.4 201.2 223(6) 0.02778 109.4 220.2 229(6) 0.02778 109.4 224.5 210(6) 0.02778 109.3 212.9 200(6) 0.02778 109.3 190.9 165(5) 0.0400 109.3 168.7 149(5) 0.0400 109.3 156.1 148(5) 0.0400 109.2 159.9 174(5) 0.0400 109.2 181.4 212(6) 0.02778 109.2 215.5 257(6) 0.02778 109.2 250.8 289(7) 0.02041 109.2 273.3 291(7) 0.02041 109.1 272.8 255(6) 0.02778 109.1 249.5 206(6) 0.02778 109.1 212.9 169(5) 0.0400 109.1 176.1 149(5) 0.0400 109.0 148.5 135(5) 0.0400 109.0 133.3 132(5) 0.0400 109.0 128.4 137(5) 0.0400 109.0 129.9 132(5) 0.0400 108.9 134.6 144(7) 0.02041 108.9 139.9 146(5) 0.0400 108.9 144.3 148(5) 0.0400 108.9 146.5 137(5) 0.0400 108.8 145.3 137(5) 0.0400 108.8 140.4 128(4) 0.0625 108.8 133.1 124(4) 0.0625 108.8 125.1 116(4) 0.0625 108.7 118.6 116(4) 0.0625 108.7 114.4 109(4) 0.0625 108.7 112.5 111(4) 0.0625 108.7 112.3 111(4) 0.0625 108.6 112.9 111(4) 0.0625 108.6 113.5 119(4) 0.0625 108.6 113.6 118(4) 0.0625 108.6 113.1 108(4) 0.0625 108.5 112.1 108(4) 0.0625 108.5 111.3 110(4) 0.0625 108.5 111.5 112(4) 0.0625 108.4 113.8 116(4) 0.0625 108.4 119.9 128(4) 0.0625 108.4 131.3 143(5) 0.0400 108.4 148.6 168(5) 0.0400 108.3 169.7 183(5) 0.0400 108.3 189.6 201(6) 0.02778 108.3 202.3 206(6) 0.02778 108.3 204.1 194(6) 0.02778 108.2 196.1 186(5) 0.0400 108.2 182.9 169(5) 0.0400 108.2 169.3 162(5) 0.0400 108.2 157.5 155(5) 0.0400 108.1 147.2 134(5) 0.0400 108.1 137.7 134(5) 0.0400 108.1 129.1 124(4) 0.0625 108.0 123.0 117(4) 0.0625 108.0 121.2 119(4) 0.0625 108.0 126.0 138(5) 0.0400 108.0 139.6 155(5) 0.0400 107.9 163.3 195(6) 0.02778 107.9 197.4 239(6) 0.02778 107.9 240.3 276(7) 0.02041 107.9 288.7 324(7) 0.02041 107.8 337.0 359(8) 0.01563 107.8 377.1 394(8) 0.01563 107.8 399.0 389(8) 0.01563 107.7 394.6 364(8) 0.01563 107.7 362.9 324(7) 0.02041 107.7 312.0 274(7) 0.02041 107.7 256.1 216(6) 0.02778 107.6 210.0 202(6) 0.02778 107.6 184.1 202(6) 0.02778 107.6 183.4 211(6) 0.02778 107.6 208.1 243(6) 0.02778 107.5 253.8 295(7) 0.02041 107.5 309.8 363(8) 0.01563 107.5 360.0 387(8) 0.01563 107.4 386.5 378(8) 0.01563 107.4 378.5 332(7) 0.02041 107.4 337.8 271(7) 0.02041 107.4 278.3 214(6) 0.02778 107.3 217.8 168(5) 0.0400 107.3 169.4 133(5) 0.0400 107.3 137.7 124(4) 0.0625 107.2 120.2 108(4) 0.0625 107.2 112.1 108(4) 0.0625 107.2 109.2 106(4) 0.0625 107.2 108.7 108(4) 0.0625 107.1 109.7 110(4) 0.0625 107.1 111.9 106(4) 0.0625 107.1 115.0 118(4) 0.0625 107.0 118.5 121(4) 0.0625 107.0 121.5 125(4) 0.0625 107.0 123.0 128(4) 0.0625 106.9 122.4 132(5) 0.0400 106.9 120.3 115(4) 0.0625 106.9 117.5 109(4) 0.0625 106.9 115.2 112(4) 0.0625 106.8 113.8 105(4) 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118.8 196.7 199(6) 0.02778 118.9 199.5 197(6) 0.02778 118.9 202.0 204(6) 0.02778 118.9 204.3 207(6) 0.02778 119.0 206.2 217(6) 0.02778 119.0 207.8 209(6) 0.02778 119.0 208.9 214(6) 0.02778 119.1 209.5 209(6) 0.02778 119.1 209.7 214(6) 0.02778 119.1 209.3 214(6) 0.02778 119.2 208.5 208(6) 0.02778 119.2 207.2 209(6) 0.02778 119.2 205.4 207(6) 0.02778 119.3 203.3 203(5) 0.0400 119.3 200.9 200(5) 0.0400 119.4 198.2 198(5) 0.0400 119.4 195.4 193(5) 0.0400 119.4 192.4 193(5) 0.0400 119.5 189.4 186(5) 0.0400 119.5 186.4 176(5) 0.0400 119.5 183.6 180(5) 0.0400 119.6 180.8 182(5) 0.0400 119.6 178.3 171(5) 0.0400 119.6 176.0 175(5) 0.0400 119.7 174.0 175(5) 0.0400 119.7 172.2 175(5) 0.0400 119.8 170.7 168(5) 0.0400 119.8 169.5 172(5) 0.0400 119.8 168.5 166(5) 0.0400 119.9 167.8 170(5) 0.0400 119.9 167.3 170(5) 0.0400 119.9 167.0 168(5) 0.0400 120.0 166.9 171(5) 0.0400 120.0 166.9 170(5) 0.0400 120.1 167.1 171(5) 0.0400 120.1 167.3 169(5) 0.0400 120.1 167.6 165(5) 0.0400 120.2 167.9 168(5) 0.0400 120.2 168.2 175(5) 0.0400 120.3 168.5 168(5) 0.0400 120.3 168.8 165(5) 0.0400 120.3 169.1 169(5) 0.0400 120.4 169.3 169(5) 0.0400 120.4 169.4 170(5) 0.0400 120.5 169.4 174(5) 0.0400 120.5 169.3 180(5) 0.0400 120.6 169.1 172(5) 0.0400 120.6 168.7 167(5) 0.0400 120.7 168.1 165(5) 0.0400 120.7 167.5 164(5) 0.0400 120.7 166.7 167(5) 0.0400 120.8 165.8 169(5) 0.0400 120.8 164.7 164(5) 0.0400 120.9 163.5 161(5) 0.0400 120.9 162.1 158(5) 0.0400 121.0 160.7 157(5) 0.0400 121.0 159.2 154(5) 0.0400 121.1 157.5 153(5) 0.0400 121.1 155.8 154(5) 0.0400 121.2 154.0 149(5) 0.0400 121.2 152.3 146(5) 0.0400 121.3 150.5 143(5) 0.0400 121.3 148.8 138(4) 0.0625 121.4 147.2 141(5) 0.0400 121.4 145.7 138(4) 0.0625 121.5 144.3 139(5) 0.0400 121.5 143.0 142(5) 0.0400 121.6 142.0 143(5) 0.0400 121.6 141.1 144(5) 0.0400 121.7 140.4 138(4) 0.0625 121.8 139.9 139(5) 0.0400 121.8 139.7 137(4) 0.0625 121.9 139.6 136(4) 0.0625 121.9 139.8 140(5) 0.0400 122.0 140.3 140(5) 0.0400 122.0 141.1 142(5) 0.0400 122.1 142.0 145(5) 0.0400 122.2 143.2 148(5) 0.0400 122.2 144.6 150(5) 0.0400 122.3 146.2 149(5) 0.0400 122.3 148.0 148(5) 0.0400 122.4 150.0 150(5) 0.0400 122.5 152.1 155(5) 0.0400 122.5 154.4 163(5) 0.0400 122.6 156.7 165(5) 0.0400 122.7 159.2 167(5) 0.0400 122.7 161.7 166(5) 0.0400 122.8 164.2 168(5) 0.0400 122.9 166.8 169(5) 0.0400 123.0 169.3 176(5) 0.0400 123.0 171.8 178(5) 0.0400 123.1 174.1 178(5) 0.0400 123.2 176.4 185(5) 0.0400 123.2 178.5 189(5) 0.0400 123.3 180.5 189(5) 0.0400 123.4 182.2 186(5) 0.0400 123.5 183.8 190(5) 0.0400 123.5 185.1 200(5) 0.0400 123.6 186.2 199(5) 0.0400 123.7 187.0 190(5) 0.0400 123.8 187.6 187(5) 0.0400 123.9 188.0 192(5) 0.0400 124.0 188.1 192(5) 0.0400 124.0 188.0 193(5) 0.0400 124.1 187.6 197(5) 0.0400 124.2 187.1 196(5) 0.0400 124.3 186.4 195(5) 0.0400 124.4 185.6 189(5) 0.0400 124.5 184.7 183(5) 0.0400 124.6 183.7 180(4) 0.0625 124.7 182.6 180(5) 0.0400 124.8 181.6 181(5) 0.0400 124.8 180.6 176(5) 0.0400 124.9 179.6 174(5) 0.0400 125.0 178.7 172(5) 0.0400 125.1 177.9 174(5) 0.0400 125.2 177.2 180(5) 0.0400 125.3 176.7 172(5) 0.0400 125.4 176.3 169(5) 0.0400 125.5 176.0 172(5) 0.0400 125.6 175.9 169(5) 0.0400 125.7 175.9 174(5) 0.0400 125.9 176.1 182(5) 0.0400 126.0 176.4 179(5) 0.0400 126.1 176.9 173(5) 0.0400 126.2 177.3 174(5) 0.0400 126.3 177.9 179(5) 0.0400 126.4 178.5 172(5) 0.0400 126.5 179.1 169(5) 0.0400 126.6 179.7 171(5) 0.0400 126.8 180.3 179(5) 0.0400 126.9 180.8 184(5) 0.0400 127.0 181.2 187(5) 0.0400 127.1 181.6 183(5) 0.0400 127.2 181.8 178(5) 0.0400 127.4 181.9 181(5) 0.0400 127.5 181.9 178(5) 0.0400 127.6 181.8 181(5) 0.0400 127.7 181.5 188(5) 0.0400 127.9 181.0 181(5) 0.0400 128.0 180.5 179(5) 0.0400 128.1 179.8 178(5) 0.0400 128.3 179.0 179(5) 0.0400 128.4 178.1 179(5) 0.0400 128.5 177.1 179(5) 0.0400 128.7 176.0 176(5) 0.0400 128.8 174.8 171(5) 0.0400 129.0 173.5 170(5) 0.0400 129.1 172.3 169(5) 0.0400 129.3 171.1 171(5) 0.0400 129.4 169.8 168(5) 0.0400 129.6 168.6 164(5) 0.0400 129.7 167.4 164(5) 0.0400 129.9 166.2 164(5) 0.0400 130.0 165.1 160(5) 0.0400 130.2 164.0 167(5) 0.0400 130.3 163.0 164(5) 0.0400 130.5 162.0 160(5) 0.0400 130.7 161.0 156(5) 0.0400 130.8 160.2 157(5) 0.0400 131.0 159.3 159(5) 0.0400 131.1 158.6 161(5) 0.0400 131.3 157.9 159(5) 0.0400 131.5 157.2 157(5) 0.0400 131.7 156.6 158(5) 0.0400 131.8 156.0 155(5) 0.0400 132.0 155.5 152(5) 0.0400 132.2 155.0 150(5) 0.0400 132.4 154.5 154(5) 0.0400 132.5 154.0 153(5) 0.0400 132.7 153.5 149(5) 0.0400 132.9 153.1 150(5) 0.0400 133.1 152.7 152(5) 0.0400 133.3 152.2 153(5) 0.0400 133.5 151.8 150(5) 0.0400 133.7 151.4 150(5) 0.0400 133.8 151.0 149(5) 0.0400 134.0 150.6 148(4) 0.0625 134.2 150.2 151(5) 0.0400 134.4 149.8 150(5) 0.0400 134.6 149.4 150(5) 0.0400 134.8 149.0 148(5) 0.0400 135.0 148.7 154(5) 0.0400 135.2 148.3 155(5) 0.0400 135.5 148.0 147(4) 0.0625 135.7 147.7 144(4) 0.0625 135.9 147.4 146(4) 0.0625 136.1 147.1 152(5) 0.0400 136.3 146.9 152(5) 0.0400 136.5 146.7 148(5) 0.0400 136.7 146.6 148(4) 0.0625 137.0 146.4 151(5) 0.0400 137.2 146.4 148(4) 0.0625 137.4 146.3 142(4) 0.0625 137.6 146.3 142(4) 0.0625 137.9 146.3 149(5) 0.0400 138.1 146.4 152(5) 0.0400 138.3 146.5 148(5) 0.0400 138.6 146.7 148(4) 0.0625 138.8 146.9 146(4) 0.0625 139.0 147.1 147(4) 0.0625 139.3 147.4 148(5) 0.0400 139.5 147.7 152(5) 0.0400 139.8 148.0 152(5) 0.0400 140.0 148.4 148(4) 0.0625 140.2 148.8 144(4) 0.0625 140.5 149.2 144(4) 0.0625 140.7 149.7 149(5) 0.0400 141.0 150.2 149(5) 0.0400 141.2 150.7 156(5) 0.0400 141.5 151.2 150(5) 0.0400 141.8 151.7 152(5) 0.0400 142.0 152.3 143(4) 0.0625 142.3 152.9 154(5) 0.0400 142.5 153.4 159(5) 0.0400 142.8 154.0 151(5) 0.0400 143.1 154.6 152(5) 0.0400 143.3 155.2 151(5) 0.0400 143.6 155.8 157(5) 0.0400 143.9 156.4 159(5) 0.0400 144.2 157.0 159(5) 0.0400 144.4 157.6 160(5) 0.0400 144.7 158.2 161(5) 0.0400 145.0 158.8 162(5) 0.0400 145.3 159.4 163(5) 0.0400 145.5 160.0 160(5) 0.0400 145.8 160.5 158(5) 0.0400 146.1 161.1 160(5) 0.0400 146.4 161.6 162(5) 0.0400 146.7 162.2 161(5) 0.0400 147.0 162.8 166(5) 0.0400 147.3 163.3 164(5) 0.0400 147.6 163.8 166(5) 0.0400 147.8 164.3 172(5) 0.0400 148.1 164.9 165(5) 0.0400 148.4 165.4 164(5) 0.0400 148.7 165.9 163(5) 0.0400 149.0 166.3 171(5) 0.0400 149.3 166.8 163(5) 0.0400 149.6 167.3 162(5) 0.0400 149.9 167.8 169(5) 0.0400 150.2 168.2 171(5) 0.0400 150.6 168.7 174(5) 0.0400 150.9 169.1 165(5) 0.0400 151.2 169.6 168(5) 0.0400 151.5 170.0 174(5) 0.0400 151.8 170.4 168(5) 0.0400 152.1 170.8 176(5) 0.0400 152.4 171.2 178(5) 0.0400 152.7 171.6 172(5) . . . 172(5) . . . 170(5) . . . 171(5) . . . 170(5) . . . 180(5) . . . 177(5) . . . 180(5) . . . 175(5) . . . 176(5) . . . 174(5) . . . 172(5) . . . 173(5) . . . 177(5) . . . 176(5) . . . 173(5) . . . 175(5) . . . 175(5) . . . 177(5) . . . 181(5) . . . 176(5) . . . 180(5) . . . 183(5) . . . 181(5) . . . 184(5) . . . 183(5) . . . 181(5) . . . 186(5) . . . 188(5) . . . 196(5) . . . 194(5) . . . 187(5) . . . 193(5) . . . 198(5) . . . 191(5) . . . 195(5) . . . 200(5) . . . 196(5) . . . 198(5) . . . 198(5) . . . 205(5) . . . 206(5) . . . 204(5) . . . 207(5) . . . 215(6) . . . 217(6) . . . 225(6) . . . 233(6) . . . 234(6) . . . 236(6) . . . 236(6) . . . 243(6) . . . 244(6) . . . 242(6) . . . 243(6) . . . 256(6) . . . 264(6) . . . 257(6) . . . 258(6) . . . 259(6) . . . 265(9) . . . 270(9) . . . 267(9) . . . 288(9) . . . 286(9) . . . 280(9) . . . 294(9) . . . 296(9) . . . 311(9) . . . 307(9) . . . 315(9) . . . 318(9) . . . 330(10) . . . 337(10) . . . 348(10) . . . 337(10) . . . 347(10) . . . 354(10) . . . 348(10) . . . 359(10) . . . 355(10) . . . 351(10) . . . 368(10) . . . 357(10) . . . 355(10) . . . 378(10) . . . 367(10) . . . 382(10) . . . 367(10) . . . 373(10) . . . 369(10) . . . 389(10) . . . 378(10) . . . 386(10) . . . 394(11) . . . 397(11) . . . 391(10) . . . 373(10) . . . 389(10) . . . 383(10) . . . 393(11) . . . 383(10) . . . 384(10) . . . 373(10) . . . 367(10) . . . 362(10) . . . 371(10) . . . 380(10) . . . 398(11) . . . 371(10) . . . 376(10) . . . 372(10) . . . 371(10) . . . 375(10) . . . 378(10) . . . 374(10) . . . 360(10) . . . 372(10) . . . 369(10) . . . 361(10) . . . 355(10) . . . 365(10) . . . 353(10) . . . 342(10) . . . 356(10) . . . 341(10) . . . 346(10) . . . 357(10) . . . 335(10) . . . 341(10) . . . 342(10) . . . 331(10) . . . 333(10) . . . 338(10) . . . 317(9) . . . 316(9) . . . 323(10) . . . 313(9) . . . 310(9) . . . 317(9) . . . 320(10) . . . 323(10) . . . 318(10) . . . 310(9) . . . 321(10) . . . 315(9) . . . 312(9) . . . 315(9) . . . 311(9) . . . 316(9) . . . 293(9) . . . 300(9) . . . 299(9) . . . 298(9) . . . 301(9) . . . 282(9) . . . 291(9) . . . 285(9) . . . 288(9) . . . 286(9) . . . 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 1 o 0.202 0.087 0.00 4.89413 1.73 1 1 0 o 0.438 0.323 180.00 4.27479 2.88 0 0 2 o 0.132 0.093 0.00 4.26624 0.43 1 1 1 o 0.658 0.635 180.00 3.82196 6.93 0 2 0 o 5.075 5.066 0.00 3.05942 8.67 1 1 2 o 4.768 5.281 180.00 3.01971 31.76 2 0 0 o 2.209 1.796 0.00 2.98734 3.60 0 2 1 o 0.175 0.378 0.00 2.87988 0.53 1 2 0 o 2.450 2.674 180.00 2.72316 6.69 2 1 0 o 7.906 8.842 180.00 2.68449 21.01 1 2 1 o 5.145 5.175 180.00 2.59424 25.61 1 0 3 o 24.050 24.675 0.00 2.56804 58.72 2 1 1 o 7.354 7.470 0.00 2.56074 35.72 0 2 2 o 26.870 26.716 180.00 2.48621 61.69 2 0 2 o 17.185 17.072 180.00 2.44707 38.29 1 1 3 o 5.310 5.589 0.00 2.36794 22.24 1 2 2 o 7.098 7.257 180.00 2.29540 28.04 2 1 2 o 2.164 2.039 180.00 2.27210 8.39 2 2 0 o 57.817 55.596 0.00 2.13740 100.00 0 0 4 o 57.254 55.730 0.00 2.13312 49.33 0 2 3 o 7.778 6.242 0.00 2.08307 12.83 2 2 1 o 3.966 3.443 180.00 2.07334 12.97 1 2 3 o 3.882 4.004 180.00 1.96695 11.53 2 1 3 o 2.985 3.124 180.00 1.95223 8.74 3 0 1 o 5.429 5.697 180.00 1.93943 7.86 1 3 0 o 5.634 5.816 180.00 1.93024 8.08 2 2 2 o 2.208 1.912 0.00 1.91098 6.22 1 1 4 o 1.219 0.918 180.00 1.90868 3.43 3 1 0 o 0.276 0.169 0.00 1.89378 0.38 1 3 1 o 12.871 12.559 180.00 1.88266 35.31 3 1 1 o 2.094 2.679 180.00 1.84879 5.56 1 3 2 o 9.785 9.546 180.00 1.75861 23.78 0 2 4 o 30.607 29.244 0.00 1.74979 36.86 2 0 4 o 20.501 19.775 0.00 1.73598 24.35 3 1 2 o 34.975 34.862 180.00 1.73091 82.64 2 2 3 o 1.229 0.365 180.00 1.70868 2.84 2 3 0 o 0.000 0.053 0.00 1.68445 0.00 1 2 4 o 0.000 0.191 0.00 1.67926 0.00 2 1 4 o 0.748 0.786 180.00 1.67007 1.66 3 2 0 o 7.528 7.858 0.00 1.66908 8.35 2 3 1 o 0.702 0.924 0.00 1.65256 1.53 1 0 5 o 7.446 7.763 0.00 1.64088 8.02 3 2 1 o 0.223 0.246 180.00 1.63803 0.48 3 0 3 o 0.389 0.649 180.00 1.63138 0.41 1 3 3 o 5.969 6.500 0.00 1.59715 12.28 1 1 5 o 0.000 0.000 180.00 1.58488 0.00 3 1 3 o 5.517 5.519 180.00 1.57631 11.10 2 3 2 o 5.392 5.430 0.00 1.56675 10.73 3 2 2 o 0.000 0.056 180.00 1.55436 0.00 0 4 0 o 26.912 27.855 0.00 1.52971 12.87 2 2 4 o 23.385 22.983 0.00 1.50985 43.77 0 4 1 o 3.506 3.394 180.00 1.50570 3.27 4 0 0 o 15.781 14.367 0.00 1.49367 7.26 0 2 5 o 5.030 4.735 0.00 1.49033 4.61 1 4 0 o 27.641 27.570 0.00 1.48191 25.09 1 4 1 o 0.436 0.002 180.00 1.46005 0.77 4 1 0 o 14.616 13.847 0.00 1.45106 12.82 2 3 3 o 11.478 11.443 180.00 1.44934 20.10 1 2 5 o 18.417 18.282 180.00 1.44603 32.14 2 1 5 o 10.388 10.173 0.00 1.44015 18.01 0 4 2 o 0.674 0.659 0.00 1.43994 0.58 3 2 3 o 10.008 9.718 0.00 1.43951 17.34 3 1 4 o 2.266 1.581 0.00 1.41619 3.83 4 0 2 o 5.113 4.685 0.00 1.40976 4.28 3 3 1 o 0.373 0.337 180.00 1.40547 0.62 1 4 2 o 2.429 2.580 0.00 1.39986 4.03 4 1 2 o 8.741 8.232 0.00 1.37377 14.07 2 4 0 o 3.219 3.088 0.00 1.36158 2.56 3 3 2 o 3.347 3.402 180.00 1.35154 5.25 1 1 6 o 7.295 7.282 180.00 1.34937 11.42 0 4 3 o 9.431 9.377 180.00 1.34721 7.37 2 4 1 o 0.485 0.507 180.00 1.34457 0.76 4 2 0 o 1.103 1.233 0.00 1.34224 0.86 2 2 5 o 8.776 8.876 180.00 1.33359 13.50 4 2 1 o 4.770 4.061 180.00 1.32594 7.28 2 3 4 o 1.101 1.110 180.00 1.32197 1.67 3 2 4 o 2.156 2.425 0.00 1.31450 3.25 1 4 3 o 2.865 3.265 0.00 1.31422 4.31 2 4 2 o 0.151 0.182 180.00 1.29712 0.22 3 0 5 o 14.974 14.908 180.00 1.29585 11.04 4 1 3 o 6.707 7.019 180.00 1.29256 9.85 0 2 6 o 0.160 0.221 180.00 1.28958 0.12 2 0 6 o 0.313 0.255 0.00 1.28402 0.23 4 2 2 o 0.187 0.191 0.00 1.28037 0.27 1 3 5 o 15.583 15.544 180.00 1.27850 22.54 3 3 3 o 9.550 8.834 0.00 1.27399 13.74 3 1 5 o 12.220 12.521 180.00 1.26773 17.46 1 2 6 o 0.155 0.104 0.00 1.26055 0.22 2 1 6 o 2.031 2.549 0.00 1.25665 2.87 0 4 4 o 15.612 15.015 0.00 1.24310 10.85 2 4 3 o 22.206 21.137 0.00 1.22810 30.36 4 0 4 o 5.901 6.084 0.00 1.22353 4.01 1 4 4 o 4.107 3.812 0.00 1.21704 5.55 4 2 3 o 8.024 8.228 0.00 1.21386 10.80 3 4 0 o 0.005 0.005 180.00 1.21315 0.00 4 3 0 o 6.007 6.187 180.00 1.20508 4.00 3 4 1 o 0.995 1.169 180.00 1.20107 1.32 4 1 4 o 0.228 0.271 0.00 1.19978 0.30 1 5 0 o 0.190 0.227 180.00 1.19888 0.13 2 3 5 o 0.052 0.062 180.00 1.19881 0.07 1 0 7 o 12.175 12.705 0.00 1.19432 8.02 4 3 1 o 4.623 4.577 0.00 1.19324 6.09 3 2 5 o 0.474 0.469 0.00 1.19323 0.62 1 5 1 o 16.054 16.400 180.00 1.18721 21.00 3 3 4 o 0.741 0.757 0.00 1.18488 0.97 2 2 6 o 5.253 5.127 180.00 1.18397 6.85 5 0 1 o 1.629 1.528 0.00 1.18339 1.06 5 1 0 o 13.179 12.662 0.00 1.17278 8.49 1 1 7 o 3.781 3.745 0.00 1.17220 4.87 3 4 2 o 14.656 14.468 180.00 1.16689 18.76 5 1 1 o 1.456 1.367 0.00 1.16186 1.85 4 3 2 o 2.553 2.744 180.00 1.15970 3.24 1 5 2 o 0.391 0.446 180.00 1.15417 0.49 2 4 4 o 7.946 8.221 0.00 1.14770 9.97 1 3 6 o 2.929 2.823 180.00 1.14491 3.66 0 4 5 o 15.955 16.915 180.00 1.13906 9.92 3 1 6 o 20.016 20.054 180.00 1.13716 24.84 4 2 4 o 4.783 4.570 0.00 1.13605 5.93 2 5 0 o 2.696 2.629 180.00 1.13243 1.67 0 2 7 o 2.911 2.847 0.00 1.13236 1.80 5 1 2 o 24.288 24.700 180.00 1.13083 29.95 2 5 1 o 1.409 1.513 0.00 1.12259 1.72 1 4 5 o 0.244 0.528 0.00 1.11891 0.30 3 4 3 o 0.000 0.015 180.00 1.11588 0.00 5 2 0 o 0.109 0.186 0.00 1.11305 0.07 1 2 7 o 0.490 0.691 180.00 1.11256 0.59 2 1 7 o 3.440 3.751 180.00 1.10987 4.16 4 3 3 o 2.187 2.358 0.00 1.10959 2.64 4 1 5 o 0.280 0.268 0.00 1.10545 0.34 1 5 3 o 16.987 16.078 0.00 1.10474 20.42 5 2 1 o 0.833 0.755 0.00 1.10370 1.00 5 0 3 o 2.296 1.125 180.00 1.10166 1.38 2 5 2 o 2.699 2.409 0.00 1.09453 3.21 3 3 5 o 0.459 0.361 0.00 1.09376 0.55 2 3 6 o 0.470 0.240 0.00 1.08662 0.56 5 1 3 o 11.708 11.278 0.00 1.08422 13.81 3 2 6 o 4.156 3.947 180.00 1.08246 4.89 5 2 2 o 0.000 0.047 180.00 1.07700 0.00 4 4 0 o 5.445 6.219 0.00 1.06870 3.17 0 0 8 o 7.732 8.202 0.00 1.06656 2.24 2 4 5 o 1.447 1.493 0.00 1.06431 1.68 4 4 1 o 16.562 16.629 180.00 1.06041 19.13 2 2 7 o 0.002 0.002 180.00 1.05885 0.00 4 2 5 o 2.619 2.512 180.00 1.05500 3.01 3 4 4 o 3.759 3.611 0.00 1.05454 4.32 2 5 3 o 2.815 2.644 0.00 1.05210 3.23 4 3 4 o 0.312 0.251 180.00 1.04922 0.36 1 5 4 o 2.201 2.371 180.00 1.04512 2.51 3 5 0 o 18.834 19.931 180.00 1.04265 10.72 0 4 6 o 1.122 1.160 180.00 1.04154 0.64 3 0 7 o 0.019 0.018 0.00 1.03966 0.01 4 4 2 o 3.938 3.984 0.00 1.03667 4.46 5 2 3 o 1.189 1.209 180.00 1.03651 1.35 3 5 1 o 2.381 2.587 180.00 1.03496 2.70 1 1 8 o 1.985 2.168 180.00 1.03484 2.25 5 3 0 o 3.722 4.024 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