#------------------------------------------------------------------------------ #$Date: 2019-08-29 10:55:16 +0300 (Thu, 29 Aug 2019) $ #$Revision: 217822 $ #$URL: file:///home/coder/svn-repositories/cod/cif/2/02/17/2021759.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2021759 loop_ _publ_author_name 'Marcos R. Imer' 'Virginia Aldabalde' 'Silvina Pagola' 'Jacco van de Streek' 'Leopoldo Suescun' _publ_contact_author_address ; Cryssmat-Lab/DETEMA Facultad de Quimica Av. Gral. Flores 2124 Montevideo 11800 Uruguay ; _publ_contact_author_email leopoldo@fq.edu.uy _publ_contact_author_fax 59829241906 _publ_contact_author_name 'Leopoldo Suescun' _publ_contact_author_phone 59829290705 _publ_section_title ; Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin ; _publ_section_title_footnote . _journal_coeditor_code SK3715 _journal_date_accepted 2018-11-15 _journal_date_recd_electronic 2018-11-12 _journal_issue 12 _journal_name_full 'Acta Crystallographica, Section C' _journal_page_first 1768 _journal_page_last 1773 _journal_paper_category FA _journal_paper_doi 10.1107/S2053229618016200 _journal_volume 74 _journal_year 2018 _chemical_compound_source synthesis _chemical_formula_iupac 'C16 H14 O6' _chemical_formula_moiety 'C16 H14 O6' _chemical_formula_sum 'C16 H14 O6' _chemical_formula_weight 302.28 _chemical_name_common divanillin _chemical_name_systematic ; 6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarbaldehyde ; _space_group_IT_number 32 _space_group_name_Hall 'P 2 -2ab' _space_group_name_H-M_alt 'P b a 2' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_Hall 'P 2 -2ab' _symmetry_space_group_name_H-M 'P b a 2' _audit_creation_method 'from EXP file using GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 2 _cell_length_a 12.28767(11) _cell_length_b 13.97200(18) _cell_length_c 3.93043(4) _cell_measurement_temperature 293(2) _cell_volume 674.789(13) _computing_structure_refinement GSAS _computing_structure_solution 'direct methods' _diffrn_ambient_temperature 293(2) _diffrn_detector 'NaI scintillator counter' _diffrn_measurement_device_type 'Rigaku ULTIMA IV diffractometer' _diffrn_radiation_monochromator 'curved Ge crystal' _diffrn_radiation_probe x-ray _diffrn_source 'sealed X-ray 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. ; _exptl_crystal_density_diffrn 1.488 _pd_block_id 2018-10-19T16:04|ACTAC-DIV|Silvina_Pagola|Rigaku_ULTIMA_IV _pd_calc_method 'Rietveld Refinement' _pd_char_colour 'light yellow' _pd_meas_2theta_range_inc 0.01 _pd_meas_2theta_range_max 108.11 _pd_meas_2theta_range_min 5.0 _pd_meas_number_of_points 10312 _pd_meas_scan_method step _pd_phase_name divainillina _pd_proc_2theta_range_inc 0.01 _pd_proc_2theta_range_max 108.1043 _pd_proc_2theta_range_min 4.9943 _pd_proc_info_datetime 2018-10-19T16:04:39 _pd_proc_ls_background_function ; GSAS Background function number 7 with 36 terms. Linear interpolation 1: 746.117 2: 636.840 3: 820.260 4: 1087.66 5: 1340.36 6: 1694.77 7: 1939.95 8: 1780.04 9: 1470.80 10: 1469.09 11: 1171.58 12: 1220.23 13: 1099.08 14: 1133.77 15: 1082.14 16: 1040.03 17: 920.035 18: 960.677 19: 942.495 20: 867.667 21: 833.747 22: 817.667 23: 803.239 24: 778.713 25: 734.737 26: 743.098 27: 717.039 28: 697.800 29: 637.240 30: 613.791 31: 574.878 32: 571.899 33: 544.400 34: 538.892 35: 514.075 36: 523.654 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_ls_pref_orient_corr ; March-Dollase AXIS 1 Ratio= 0.77078 h= 1.000 k= 0.000 l= 0.000 Prefered orientation correction range: Min= 0.67671, Max= 2.18374 ; _pd_proc_ls_profile_function ; CW Profile function number 3 with 19 terms pseudo-Voigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. #1(GU) = 280.285 #2(GV) = -19.927 #3(GW) = 18.038 #4(GP) = 0.000 #5(LX) = 5.378 #6(LY) = 0.000 #7(S/L) = 0.0295 #8(H/L) = 0.0301 #9(trns) = 8.98 #10(shft)= 0.0000 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = 0.026 #15(L22) = -0.035 #16(L33) = 2.037 #17(L12) = -0.015 #18(L13) = 0.214 #19(L23) = -0.135 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0350 _pd_proc_ls_prof_wR_expected 0.0220 _pd_proc_ls_prof_wR_factor 0.0492 _pd_proc_number_of_points 10312 _pd_spec_mounting ' Glass sample holder with a 20x20x0.5 mm indentation for the sample' _pd_spec_mount_mode 'reflection, \q-\q geometry' _pd_spec_shape flat_sheet _pd_spec_size_axial 20 _pd_spec_size_thick 0.5 _refine_diff_density_max 0.183 _refine_diff_density_min -0.145 _refine_ls_goodness_of_fit_all 2.30 _refine_ls_matrix_type full _refine_ls_number_parameters 116 _refine_ls_number_restraints 56 _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.00 _reflns_number_total 942 _cod_data_source_file sk3715sup1.cif _cod_data_source_block I _cod_original_cell_volume 674.790(12) _cod_database_code 2021759 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 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_thermal_displace_type _atom_site_occupancy _atom_site_symmetry_multiplicity O O1 0.13485(8) 0.31375(11) 0.8931(7) 0.0784(8) Uiso 1.0 4 O O2 0.20440(9) 0.64551(12) 0.2917(7) 0.0663(8) Uiso 1.0 4 O O3 0.42399(10) 0.64420(7) 0.2402(5) 0.0707(7) Uiso 1.0 4 C C1 0.27806(12) 0.41290(11) 0.6785(6) 0.0470(13) Uiso 1.0 4 C C2 0.21080(10) 0.48780(17) 0.5520(9) 0.0493(11) Uiso 1.0 4 C C3 0.26177(13) 0.56830(16) 0.4107(11) 0.0598(13) Uiso 1.0 4 C C4 0.37574(11) 0.57070(11) 0.4036(6) 0.0607(14) Uiso 1.0 4 C C5 0.44038(11) 0.49460(17) 0.5 0.0375(12) Uiso 1.0 4 C C6 0.38971(11) 0.41765(11) 0.6453(6) 0.0532(13) Uiso 1.0 4 C C7 0.23099(9) 0.32760(9) 0.8444(6) 0.0808(14) Uiso 1.0 4 C C8 0.08772(11) 0.64343(8) 0.3383(3) 0.0567(9) Uiso 1.0 4 H H2 0.13565(13) 0.4859(6) 0.579(2) 0.0592(13) Uiso 1.0 4 H H3 0.4013(4) 0.70692(13) 0.2997(15) 0.0848(9) Uiso 1.0 4 H H6 0.4332(2) 0.37013(16) 0.7397(10) 0.0638(15) Uiso 1.0 4 H H7 0.2795(2) 0.27727(16) 0.9036(16) 0.0969(16) Uiso 1.0 4 H H8A 0.0593(3) 0.70318(13) 0.2656(12) 0.0681(11) Uiso 1.0 4 H H8B 0.0718(4) 0.6328(5) 0.5720(4) 0.0681(11) Uiso 1.0 4 H H8C 0.0553(3) 0.59394(16) 0.2069(7) 0.0681(11) Uiso 1.0 4 loop_ _atom_type_symbol _atom_type_number_in_cell _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_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C 32.0 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 0.000 0.000 International_Tables_Vol_C O 12.0 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 0.000 0.000 International_Tables_Vol_C H 28.0 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 0.000 0.000 International_Tables_Vol_C loop_ _diffrn_radiation_type _diffrn_radiation_wavelength CuK\a~1~ 1.540598 CuK\a~2~ 1.544426 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag C2 C3 C4 1_555 . 1_555 118.3(2) n C2 C3 O2 1_555 . 1_555 122.46(15) n C4 C3 O2 1_555 . 1_555 119.2(2) n C3 C2 C1 1_555 . 1_555 117.96(13) n C3 C2 H2 1_555 . 1_555 120.7(5) n C1 C2 H2 1_555 . 1_555 121.1(6) n C2 C1 C6 1_555 . 1_555 120.60(16) n C2 C1 C7 1_555 . 1_555 121.35(13) n C6 C1 C7 1_555 . 1_555 118.04(14) n C1 C6 C5 1_555 . 1_555 122.01(15) n C1 C6 H6 1_555 . 1_555 119.9(2) n C5 C6 H6 1_555 . 1_555 117.9(2) n C6 C5 C5 1_555 . 4_665 122.2(2) n C6 C5 C4 1_555 . 1_555 117.29(13) n C5 C5 C4 4_665 . 1_555 119.6(2) n C3 C4 C5 1_555 . 1_555 123.45(17) n C3 C4 O3 1_555 . 1_555 117.85(18) n C5 C4 O3 1_555 . 1_555 117.67(13) n C4 O3 H3 1_555 . 1_555 117.2(3) n C3 O2 C8 1_555 . 1_555 116.80(16) n C1 C7 O1 1_555 . 1_555 125.47(15) n C1 C7 H7 1_555 . 1_555 117.4(2) n O1 C7 H7 1_555 . 1_555 117.0(2) n O2 C8 H8A 1_555 . 1_555 108.0(3) n O2 C8 H8B 1_555 . 1_555 109.2(4) n O2 C8 H8C 1_555 . 1_555 111.2(3) n H8A C8 H8B 1_555 . 1_555 110.6(5) n H8A C8 H8C 1_555 . 1_555 108.8(3) n H8B C8 H8C 1_555 . 1_555 109.0(4) n loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag C3 C2 . 1_555 1.402(4) n C3 C4 . 1_555 1.401(2) n C3 O2 . 1_555 1.371(3) n C2 C3 . 1_555 1.402(4) n C2 C1 . 1_555 1.423(3) n C2 H2 . 1_555 0.930(2) n C1 C2 . 1_555 1.423(3) n C1 C6 . 1_555 1.380(2) n C1 C7 . 1_555 1.477(2) n C6 C1 . 1_555 1.380(2) n C6 C5 . 1_555 1.367(3) n C6 H6 . 1_555 0.929(3) n C5 C6 . 1_555 1.367(3) n C5 C5 . 4_665 1.473(3) n C5 C4 . 1_555 1.380(3) n C4 C3 . 1_555 1.401(2) n C4 C5 . 1_555 1.380(3) n C4 O3 . 1_555 1.349(2) n O3 C4 . 1_555 1.349(2) n O3 H3 . 1_555 0.949(3) n O2 C3 . 1_555 1.371(3) n O2 C8 . 1_555 1.4456(18) n C7 C1 . 1_555 1.477(2) n C7 O1 . 1_555 1.2124(16) n C7 H7 . 1_555 0.951(3) n O1 C7 . 1_555 1.2124(16) n C8 O2 . 1_555 1.4456(18) n C8 H8A . 1_555 0.949(3) n C8 H8B . 1_555 0.951(3) n C8 H8C . 1_555 0.951(3) n H6 C6 . 1_555 0.929(3) n H2 C2 . 1_555 0.930(2) n H8A C8 . 1_555 0.949(3) n H8A H8B . 1_555 1.562(6) n H8A H8C . 1_555 1.545(3) n H8B C8 . 1_555 0.951(3) n H8B H8A . 1_555 1.562(6) n H8B H8C . 1_555 1.548(4) n H8C C8 . 1_555 0.951(3) n H8C H8A . 1_555 1.545(3) n H8C H8B . 1_555 1.548(4) n H7 C7 . 1_555 0.951(3) n H3 O3 . 1_555 0.949(3) n loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA O3 H3 O1 2_554 0.949(3) 2.231(5) 2.828(2) 120.0(5) loop_ _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total _pd_meas_counts_total . . . 985.0 . . . 938.0 . . . 972.0 . . . 975.0 . . . 1020.0 . . . 933.0 . . . 1005.0 . . . 966.0 . . . 872.0 . . . 999.0 . . . 944.0 . . . 915.0 . . . 981.0 . . . 915.0 . . . 942.0 . . . 923.0 . . . 900.0 . . . 913.0 . . . 927.0 . . . 954.0 . . . 962.0 . . . 929.0 . . . 892.0 . . . 896.0 . . . 859.0 . . . 905.0 . . . 907.0 . . . 882.0 . . . 853.0 . . . 812.0 . . . 837.0 . . . 820.0 . . . 829.0 . . . 888.0 . . . 857.0 . . . 861.0 . . . 804.0 . . . 864.0 . . . 783.0 . . . 808.0 . . . 802.0 . . . 792.0 . . . 767.0 . . . 820.0 . . . 777.0 . . . 818.0 . . . 759.0 . . . 736.0 . . . 767.0 . . . 841.0 . . . 806.0 . . . 814.0 . . . 779.0 . . . 754.0 . . . 806.0 . . . 750.0 . . . 800.0 . . . 818.0 . . . 787.0 . . . 726.0 . . . 779.0 . . . 818.0 . . . 767.0 . . . 804.0 . . . 730.0 . . . 755.0 . . . 769.0 . . . 802.0 . . . 787.0 . . . 800.0 . . . 876.0 . . . 757.0 . . . 790.0 . . . 804.0 . . . 806.0 . . . 796.0 . . . 767.0 . . . 771.0 . . . 750.0 . . . 831.0 . . . 775.0 . . . 765.0 . . . 814.0 . . . 720.0 . . . 761.0 . . . 715.0 . . . 742.0 . . . 783.0 . . . 691.0 . . . 792.0 . . . 711.0 . . . 757.0 . . . 736.0 . . . 701.0 . . . 752.0 . . . 771.0 . . . 695.0 . . . 757.0 . . . 718.0 . . . 783.0 . . . 769.0 . . . 802.0 . . . 790.0 . . . 755.0 . . . 722.0 . . . 718.0 . . . 754.0 . . . 757.0 . . . 718.0 . . . 740.0 . . . 728.0 . . . 814.0 . . . 689.0 . . . 757.0 . . . 765.0 . . . 754.0 . . . 794.0 . . . 761.0 . . . 738.0 . . . 771.0 . . . 829.0 . . . 777.0 . . . 822.0 . . . 697.0 . . . 822.0 . . . 720.0 . . . 771.0 . . . 718.0 . . . 804.0 . . . 802.0 . . . 804.0 . . . 707.0 . . . 777.0 . . . 771.0 . . . 674.0 . . . 703.0 . . . 715.0 . . . 752.0 . . . 781.0 . . . 812.0 . . . 767.0 . . . 748.0 . . . 705.0 . . . 707.0 . . . 732.0 . . . 783.0 . . . 781.0 . . . 680.0 . . . 734.0 . . . 718.0 . . . 781.0 . . . 752.0 . . . 781.0 . . . 709.0 . . . 707.0 . . . 728.0 . . . 695.0 . . . 783.0 . . . 800.0 . . . 794.0 . . . 711.0 . . . 646.0 . . . 794.0 . . . 777.0 . . . 717.0 . . . 730.0 . . . 771.0 . . . 724.0 . . . 763.0 . . . 717.0 . . . 683.0 . . . 717.0 . . . 748.0 . . . 744.0 . . . 773.0 . . . 787.0 . . . 754.0 . . . 685.0 . . . 748.0 . . . 730.0 . . . 715.0 . . . 670.0 . . . 761.0 . . . 650.0 . . . 701.0 . . . 777.0 . . . 736.0 . . . 711.0 . . . 705.0 . . . 754.0 . . . 777.0 . . . 713.0 . . . 790.0 . . . 639.0 . . . 732.0 . . . 711.0 . . . 775.0 . . . 773.0 . . . 765.0 . . . 748.0 . . . 732.0 . . . 693.0 . . . 785.0 . . . 697.0 . . . 802.0 . . . 818.0 . . . 738.0 . . . 792.0 . . . 781.0 . . . 775.0 . . . 763.0 . . . 800.0 . . . 748.0 . . . 763.0 . . . 796.0 . . . 792.0 . . . 732.0 . . . 752.0 . . . 787.0 . . . 763.0 . . . 748.0 . . . 740.0 . . . 757.0 . . . 804.0 . . . 744.0 . . . 787.0 . . . 736.0 . . . 773.0 . . . 843.0 . . . 831.0 . . . 790.0 . . . 755.0 . . . 773.0 . . . 824.0 . . . 769.0 . . . 816.0 . . . 820.0 . . . 831.0 . . . 820.0 . . . 827.0 . . . 831.0 . . . 810.0 . . . 863.0 . . . 822.0 . . . 800.0 . . . 748.0 . . . 853.0 . . . 779.0 . . . 798.0 . . . 779.0 . . . 796.0 . . . 812.0 . . . 820.0 . . . 818.0 . . . 843.0 . . . 808.0 . . . 802.0 . . . 837.0 . . . 754.0 . . . 781.0 . . . 857.0 . . . 787.0 . . . 742.0 . . . 892.0 . . . 787.0 . . . 820.0 . . . 777.0 . . . 837.0 . . . 822.0 . . . 717.0 . . . 810.0 . . . 826.0 . . . 824.0 . . . 839.0 . . . 800.0 . . . 806.0 . . . 827.0 . . . 781.0 . . . 898.0 . . . 841.0 . . . 792.0 . . . 839.0 . . . 798.0 . . . 882.0 . . . 732.0 . . . 802.0 . . . 831.0 . . . 715.0 . . . 779.0 . . . 808.0 . . . 806.0 . . . 861.0 . . . 800.0 . . . 691.0 . . . 787.0 . . . 785.0 . . . 785.0 . . . 818.0 . . . 880.0 . . . 761.0 . . . 730.0 0.001333 746.11700 833.94250 750.0 0.001170 745.73065 834.80603 855.0 0.001178 745.34430 835.69684 849.0 0.001211 744.95789 836.61560 826.0 0.001225 744.57153 837.56323 816.0 0.001267 744.18512 838.54059 789.0 0.001142 743.79877 839.54858 876.0 0.001256 743.41241 840.58820 796.0 0.001244 743.02606 841.66034 804.0 0.001326 742.63965 842.76605 754.0 0.001267 742.25330 843.90637 789.0 0.001318 741.86694 845.08246 759.0 0.001267 741.48053 846.29535 789.0 0.001348 741.09418 847.54633 742.0 0.001330 740.70782 848.83667 752.0 0.001170 740.32147 850.16754 855.0 0.001314 739.93506 851.54028 761.0 0.001325 739.54871 852.95648 755.0 0.001126 739.16235 854.41736 888.0 0.001178 738.77594 855.92462 849.0 0.001267 738.38959 857.47986 789.0 0.001294 738.00317 859.08459 773.0 0.001267 737.61682 860.74072 789.0 0.001198 737.23047 862.45001 835.0 0.001304 736.84412 864.21436 767.0 0.001253 736.45770 866.03577 798.0 0.001189 736.07135 867.91632 841.0 0.001183 735.68500 869.85822 845.0 0.001121 735.29858 871.86365 892.0 0.001238 734.91223 873.93518 808.0 0.001121 734.52582 876.07520 892.0 0.001277 734.13953 878.28650 783.0 0.001178 733.75311 880.57166 849.0 0.001172 733.36676 882.93378 853.0 0.001167 732.98035 885.37579 857.0 0.001238 732.59399 887.90106 808.0 0.001200 732.20764 890.51288 833.0 0.001200 731.82123 893.21484 833.0 0.001235 731.43488 896.01080 810.0 0.001159 731.04852 898.90472 863.0 0.001253 730.66217 901.90082 798.0 0.001072 730.27576 905.00336 933.0 0.001121 729.88940 908.21735 892.0 0.001111 729.50305 911.54755 900.0 0.001198 729.11664 914.99921 835.0 0.001129 728.73029 918.57819 886.0 0.001081 728.34387 922.29010 925.0 0.001206 727.95758 926.14160 829.0 0.001142 727.57117 930.13892 876.0 0.001134 727.18481 934.28955 882.0 0.001066 726.79840 938.60095 938.0 0.001033 726.41205 943.08124 968.0 0.001091 726.02570 947.73907 917.0 0.001111 725.63928 952.58362 900.0 0.000930 725.25293 957.62482 1075.0 0.001040 724.86658 962.87329 962.0 0.000988 724.48022 968.34039 1012.0 0.001042 724.09381 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0.000436 1470.18713 2181.80078 2293.0 0.000440 1470.18103 2262.07251 2275.0 0.000406 1470.17505 2343.18774 2462.0 0.000389 1470.16895 2423.00049 2569.0 0.000386 1470.16296 2499.11353 2594.0 0.000365 1470.15686 2568.94775 2736.0 0.000358 1470.15088 2629.84009 2794.0 0.0003494 1470.14478 2679.19800 2862.0 0.0003465 1470.13879 2714.76099 2886.0 0.0003397 1470.13269 2734.90015 2944.0 0.0003452 1470.12671 2738.88892 2897.0 0.0003414 1470.12061 2727.01611 2929.0 0.0003407 1470.11462 2700.48486 2935.0 0.000364 1470.10852 2661.10718 2750.0 0.000378 1470.10242 2610.92261 2644.0 0.000380 1470.09644 2551.91675 2632.0 0.000386 1470.09033 2485.91748 2589.0 0.000395 1470.08435 2414.64258 2530.0 0.000419 1470.07825 2339.81641 2386.0 0.000457 1470.07227 2263.24170 2187.0 0.000461 1470.06616 2186.78491 2169.0 0.000478 1470.06018 2112.26733 2091.0 0.000509 1470.05408 2041.31262 1964.0 0.000512 1470.04810 1975.22778 1952.0 0.000505 1470.04199 1914.94397 1980.0 0.000580 1470.03601 1861.02722 1723.0 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1546.92847 1523.0 0.000647 1469.70947 1547.67737 1545.0 0.000633 1469.70337 1548.69592 1580.0 0.000639 1469.69739 1549.99585 1566.0 0.000629 1469.69128 1550.03027 1590.0 0.000637 1469.68530 1551.98486 1570.0 0.000625 1469.67920 1554.33545 1601.0 0.000644 1469.67322 1557.15991 1554.0 0.000612 1469.66711 1560.56360 1634.0 0.000664 1469.66113 1564.68762 1505.0 0.000629 1469.65503 1569.71252 1590.0 0.000649 1469.64905 1575.86804 1542.0 0.000625 1469.64294 1583.43787 1601.0 0.000596 1469.63684 1592.76917 1678.0 0.000594 1469.63086 1604.27612 1683.0 0.000581 1469.62476 1618.44250 1722.0 0.000597 1469.61877 1635.82019 1676.0 0.000605 1469.61267 1657.02014 1652.0 0.000575 1469.60669 1682.69897 1738.0 0.000582 1469.60059 1713.52881 1719.0 0.000546 1469.59460 1750.16345 1832.0 0.000509 1469.58850 1793.18762 1965.0 0.000544 1469.58252 1843.05811 1837.0 0.000508 1469.57642 1900.04138 1968.0 0.000496 1469.57043 1964.14099 2017.0 0.000478 1469.56433 2035.03418 2090.0 0.000465 1469.55835 2112.01563 2151.0 0.000455 1469.55225 2193.95947 2200.0 0.000432 1469.54626 2279.30884 2314.0 0.000425 1469.54016 2366.08545 2353.0 0.000394 1469.53406 2451.94458 2535.0 0.000389 1469.52808 2534.25513 2571.0 0.000368 1469.52197 2610.22266 2718.0 0.000376 1469.51599 2677.06274 2663.0 0.000355 1469.50989 2732.21875 2815.0 0.0003498 1469.50391 2773.64258 2859.0 0.000355 1469.49780 2800.08496 2819.0 0.0003413 1469.49182 2811.32690 2930.0 0.0003454 1469.48572 2808.22803 2895.0 0.0003464 1469.47974 2792.55591 2887.0 0.0003467 1469.47363 2766.18408 2884.0 0.000357 1469.46765 2732.64478 2804.0 0.000357 1469.46155 2694.05273 2803.0 0.000366 1469.45557 2652.92847 2734.0 0.000362 1469.44946 2611.76416 2763.0 0.000383 1469.44336 2573.10962 2609.0 0.000369 1469.43738 2539.61987 2707.0 0.000374 1469.43127 2513.78296 2674.0 0.000369 1469.42529 2498.74023 2711.0 0.000373 1469.41919 2496.69189 2683.0 0.000368 1469.41321 2509.71558 2718.0 0.000374 1469.40710 2539.43018 2675.0 0.000375 1469.40112 2586.94971 2669.0 0.000368 1469.39502 2652.85327 2716.0 0.0003429 1469.38904 2737.16064 2916.0 0.0003319 1469.38293 2839.32349 3013.0 0.0003235 1469.37695 2958.23193 3091.0 0.0003002 1469.37085 3092.23511 3331.0 0.0002966 1469.36487 3239.17090 3372.0 0.0002883 1469.35876 3396.36646 3469.0 0.0002636 1469.35278 3560.59985 3793.0 0.0002581 1469.34668 3728.03003 3874.0 0.0002472 1469.34058 3894.15430 4046.0 0.0002375 1469.33459 4053.87329 4210.0 0.0002309 1469.32849 4201.69629 4331.0 0.0002260 1469.32251 4333.15430 4424.0 0.0002162 1469.31641 4440.97949 4626.0 0.0002069 1469.31042 4521.86133 4833.0 0.0002045 1469.30432 4572.62402 4890.0 0.0002062 1469.29834 4591.60205 4850.0 0.0002056 1469.29224 4578.78906 4863.0 0.0002103 1469.28625 4535.73926 4755.0 0.0002162 1469.28015 4465.18164 4626.0 0.0002153 1469.27417 4370.49268 4644.0 0.0002291 1469.26807 4255.74414 4365.0 0.0002243 1469.26208 4123.28760 4459.0 0.0002428 1469.25598 3976.84033 4118.0 0.0002545 1469.24988 3819.49268 3929.0 0.0002610 1469.24390 3654.39844 3832.0 0.0002807 1469.23779 3484.88745 3563.0 0.0002914 1469.23181 3314.46411 3432.0 0.0003104 1469.22571 3146.44360 3222.0 0.0003383 1469.21973 2983.95850 2956.0 0.0003429 1469.21362 2829.56958 2916.0 0.000377 1469.20764 2685.20215 2652.0 0.000368 1469.20154 2552.13379 2717.0 0.000398 1469.19556 2431.05762 2514.0 0.000422 1469.18945 2322.18286 2370.0 0.000453 1469.18347 2225.33740 2206.0 0.000472 1469.17737 2140.08936 2118.0 0.000511 1469.17139 2065.74512 1956.0 0.000480 1469.16528 2001.54749 2082.0 0.000506 1469.15930 1946.65454 1975.0 0.000517 1469.15320 1900.20593 1936.0 0.000539 1469.14709 1861.36755 1857.0 0.000548 1469.14111 1829.36108 1824.0 0.000559 1469.13501 1803.49402 1788.0 0.000567 1469.12903 1783.17737 1763.0 0.000580 1469.12292 1767.93933 1724.0 0.000593 1469.11694 1757.43347 1685.0 0.000589 1469.11084 1751.43860 1697.0 0.000585 1469.10486 1749.85376 1710.0 0.000555 1469.09875 1752.68726 1801.0 0.000574 1469.09277 1760.03613 1742.0 0.000590 1468.51880 1771.49329 1696.0 0.000567 1467.46704 1787.33923 1763.0 0.000568 1466.41492 1808.23352 1760.0 0.000559 1465.36316 1834.30322 1788.0 0.000541 1464.31152 1865.57446 1848.0 0.000535 1463.25940 1901.92603 1870.0 0.000514 1462.20764 1943.04871 1946.0 0.000470 1461.15552 1988.40454 2128.0 0.000484 1460.10376 2037.20740 2066.0 0.000453 1459.05164 2088.41040 2208.0 0.000466 1457.99988 2140.71558 2148.0 0.000445 1456.94775 2192.59814 2245.0 0.000421 1455.89600 2242.34790 2375.0 0.000413 1454.84424 2288.13940 2419.0 0.000407 1453.79211 2328.12646 2458.0 0.000380 1452.74048 2360.57666 2635.0 0.000387 1451.68823 2384.03711 2581.0 0.000399 1450.63660 2397.52319 2509.0 0.000381 1449.58447 2400.66870 2626.0 0.000378 1448.53271 2393.77637 2648.0 0.000394 1447.48096 2377.72754 2539.0 0.000408 1446.42883 2353.77539 2448.0 0.000407 1445.37708 2323.31763 2458.0 0.000409 1444.32495 2287.73242 2446.0 0.000450 1443.27319 2248.30786 2221.0 0.000449 1442.22107 2206.26172 2229.0 0.000460 1441.16931 2162.80664 2172.0 0.000465 1440.11719 2119.21167 2149.0 0.000477 1439.06543 2076.81152 2098.0 0.000484 1438.01379 2036.95959 2067.0 0.000491 1436.96167 2000.94019 2037.0 0.000510 1435.90991 1969.89038 1960.0 0.000513 1434.85779 1944.75110 1949.0 0.000542 1433.80603 1926.25940 1844.0 0.000543 1432.75391 1914.97400 1843.0 0.000529 1431.70215 1911.24768 1889.0 0.000533 1430.65002 1915.32886 1875.0 0.000528 1429.59827 1927.32800 1895.0 0.000538 1428.54651 1947.24182 1860.0 0.000543 1427.49438 1974.95813 1840.0 0.000518 1426.44263 2010.25964 1929.0 0.000510 1425.39050 2052.81201 1959.0 0.000524 1424.33887 2102.16235 1909.0 0.000500 1423.28674 2157.70166 2001.0 0.000468 1422.23499 2218.70044 2139.0 0.000485 1421.18323 2284.28149 2060.0 0.000459 1420.13110 2353.45752 2177.0 0.000448 1419.07935 2425.16211 2234.0 0.000447 1418.02722 2498.28174 2237.0 0.000436 1416.97546 2571.67749 2294.0 0.000421 1415.92334 2644.15601 2374.0 0.000400 1414.87158 2714.43018 2498.0 0.000385 1413.81946 2781.08154 2600.0 0.000386 1412.76770 2842.74316 2594.0 0.000382 1411.71606 2897.70752 2621.0 0.000374 1410.66394 2944.97900 2677.0 0.000360 1409.61218 2984.04785 2778.0 0.000358 1408.56006 3015.23047 2797.0 0.000355 1407.50830 3039.73291 2819.0 0.0003470 1406.45618 3059.49121 2882.0 0.000351 1405.40442 3076.86890 2847.0 0.0003490 1404.35229 3094.31567 2865.0 0.0003392 1403.30054 3114.10449 2948.0 0.0003411 1402.24878 3138.24609 2932.0 0.0003393 1401.19666 3168.19971 2947.0 0.0003359 1400.14490 3205.30737 2977.0 0.0003198 1399.09277 3250.55273 3127.0 0.0003207 1398.04114 3304.61084 3118.0 0.0003097 1396.98889 3367.76489 3229.0 0.0003033 1395.93726 3439.79517 3297.0 0.0002966 1394.88550 3519.84375 3372.0 0.0002927 1393.83337 3606.28809 3416.0 0.0002792 1392.78162 3696.63159 3582.0 0.0002731 1391.72949 3787.47632 3661.0 0.0002580 1390.67773 3874.64111 3876.0 0.0002493 1389.62561 3953.43164 4011.0 0.0002466 1388.57385 4019.05298 4055.0 0.0002483 1387.52173 4067.04663 4027.0 0.0002482 1386.46997 4093.73413 4029.0 0.0002465 1385.41833 4096.61328 4056.0 0.0002420 1384.36621 4074.65454 4132.0 0.0002428 1383.31445 4028.38647 4119.0 0.0002528 1382.26233 3959.64771 3956.0 0.0002583 1381.21057 3871.10205 3872.0 0.0002664 1380.15845 3765.71167 3754.0 0.0002678 1379.10669 3646.36108 3734.0 0.0002855 1378.05457 3515.70117 3503.0 0.0002964 1377.00281 3376.19263 3374.0 0.0003057 1375.95105 3230.25171 3271.0 0.0003183 1374.89893 3080.42920 3142.0 0.0003317 1373.84717 2929.47339 3015.0 0.0003406 1372.79504 2781.50024 2936.0 0.000370 1371.74341 2636.75903 2702.0 0.000386 1370.69116 2498.90063 2590.0 0.000395 1369.63953 2369.81299 2531.0 0.000427 1368.58777 2250.80200 2343.0 0.000454 1367.53564 2142.61963 2204.0 0.000472 1366.48389 2045.54333 2118.0 0.000503 1365.43176 1959.46106 1987.0 0.000541 1364.38000 1883.96655 1847.0 0.000540 1363.32788 1819.05640 1852.0 0.000582 1362.27612 1762.71277 1719.0 0.000607 1361.22400 1714.68311 1648.0 0.000579 1360.17224 1674.05200 1728.0 0.000627 1359.12061 1639.90063 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1126.43884 5760.78369 5646.0 0.0001838 1126.56140 5601.70557 5440.0 0.0001924 1126.68408 5425.03857 5197.0 0.0002010 1126.80676 5233.16455 4976.0 0.0002107 1126.92944 5028.21973 4746.0 0.0002146 1127.05212 4812.20410 4660.0 0.0002264 1127.17480 4587.66309 4417.0 0.0002324 1127.29736 4357.31982 4303.0 0.0002531 1127.42004 4124.11865 3951.0 0.0002696 1127.54272 3891.71460 3709.0 0.0002860 1127.66528 3663.55371 3496.0 0.0003059 1127.78796 3442.80664 3269.0 0.0003236 1127.91064 3232.19727 3090.0 0.000359 1128.03333 3033.92236 2783.0 0.000378 1128.15601 2849.63892 2643.0 0.000420 1128.27869 2680.51953 2379.0 0.000471 1128.40125 2527.31787 2125.0 0.000478 1128.52393 2390.46777 2094.0 0.000489 1128.64661 2270.06104 2046.0 0.000513 1128.76917 2166.04297 1949.0 0.000523 1128.89185 2078.17310 1911.0 0.000559 1129.01453 2006.09167 1788.0 0.000571 1129.13721 1949.35132 1750.0 0.000555 1129.25989 1907.44995 1801.0 0.000555 1129.38245 1879.84668 1801.0 0.000574 1129.50513 1865.97473 1743.0 0.000583 1129.62781 1865.24915 1716.0 0.000569 1129.75049 1877.06177 1758.0 0.000567 1129.87317 1900.76953 1765.0 0.000519 1129.99585 1935.67615 1928.0 0.000527 1130.11841 1981.00928 1897.0 0.000527 1130.24109 2035.88818 1896.0 0.000492 1130.36377 2099.29810 2034.0 0.000476 1130.48633 2170.05151 2099.0 0.000423 1130.60901 2246.77441 2366.0 0.000429 1130.73169 2327.88403 2330.0 0.000418 1130.85437 2411.59692 2390.0 0.000399 1130.97705 2495.94604 2508.0 0.000383 1131.09973 2578.82031 2610.0 0.000381 1131.22229 2658.02832 2625.0 0.000366 1131.34497 2731.32495 2731.0 0.000359 1131.46765 2796.43286 2787.0 0.0003418 1131.59021 2851.67969 2926.0 0.0003257 1131.71289 2895.33130 3070.0 0.0003333 1131.83557 2926.29199 3000.0 0.0003493 1131.95825 2944.04980 2863.0 0.0003415 1132.08093 2948.68042 2928.0 0.0003367 1132.20361 2940.74731 2970.0 0.000352 1132.32617 2921.15894 2837.0 0.0003482 1132.44885 2891.01685 2872.0 0.000359 1132.57153 2851.62524 2783.0 0.000365 1132.69409 2803.86108 2739.0 0.000388 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936.69055 1182.41284 1326.0 0.000789 936.26624 1180.77637 1268.0 0.000774 935.84204 1178.85547 1292.0 0.000787 935.41766 1176.76611 1271.0 0.000780 934.99347 1174.61060 1282.0 0.000774 934.56927 1172.52002 1292.0 0.000771 934.14490 1170.57727 1297.0 0.000766 933.72070 1168.86792 1306.0 0.000765 933.29633 1167.46936 1308.0 0.000765 932.87213 1166.45459 1307.0 0.000789 932.44781 1165.89600 1268.0 0.000763 932.02362 1165.86865 1310.0 0.000778 931.59924 1166.45496 1285.0 0.000826 931.17505 1167.74438 1210.0 0.000773 930.75085 1169.83508 1293.0 0.000789 930.32648 1172.83228 1268.0 0.000789 929.90228 1176.84412 1267.0 0.000799 929.47791 1181.97986 1251.0 0.000813 929.05371 1188.34937 1230.0 0.000808 928.62939 1196.05603 1238.0 0.000780 928.20520 1205.19971 1282.0 0.000797 927.78082 1215.86890 1254.0 0.000766 927.35663 1228.14209 1306.0 0.000780 926.93243 1242.08386 1282.0 0.000778 926.50806 1257.74097 1286.0 0.000773 926.08386 1275.14307 1293.0 0.000761 925.65948 1294.30115 1314.0 0.000805 925.23529 1315.20435 1242.0 0.000766 924.81097 1337.82544 1305.0 0.000758 924.38678 1362.12134 1319.0 0.000724 923.96259 1388.03674 1381.0 0.000720 923.53821 1415.50562 1388.0 0.000732 923.11401 1444.45862 1367.0 0.000693 922.68964 1474.82227 1444.0 0.000684 922.26544 1506.51892 1461.0 0.000717 921.84113 1539.46448 1394.0 0.000673 921.41687 1573.55994 1485.0 0.000680 920.99255 1608.68420 1470.0 0.000641 920.56836 1644.32739 1559.0 0.000674 920.14417 1680.99231 1484.0 0.000657 920.14172 1718.47961 1522.0 0.000638 920.28540 1756.17981 1567.0 0.000631 920.42914 1793.53967 1586.0 0.000618 920.57281 1830.08118 1617.0 0.000611 920.71655 1865.27271 1638.0 0.000576 920.86023 1898.55017 1736.0 0.000580 921.00391 1929.35620 1724.0 0.000579 921.14758 1957.23047 1727.0 0.000560 921.29126 1981.65051 1787.0 0.000544 921.43500 2002.36975 1837.0 0.000574 921.57867 2019.35278 1741.0 0.000535 921.72241 2031.87915 1870.0 0.000541 921.86609 2041.12988 1847.0 0.000530 922.00983 2046.81689 1888.0 0.000517 922.15350 2049.16748 1936.0 0.000539 922.29718 2048.39917 1856.0 0.000518 922.44092 2044.68457 1929.0 0.000560 922.58459 2038.13416 1787.0 0.000523 922.72827 2028.78894 1911.0 0.000543 922.87195 2016.63611 1840.0 0.000543 923.01569 2001.63647 1841.0 0.000560 923.15936 1983.76355 1785.0 0.000528 923.30310 1963.06982 1893.0 0.000539 923.44678 1939.61462 1854.0 0.000567 923.59045 1913.64404 1763.0 0.000562 923.73419 1885.54724 1780.0 0.000566 923.87787 1855.63647 1766.0 0.000566 924.02161 1824.46582 1768.0 0.000606 924.16528 1792.59436 1651.0 0.000604 924.30902 1760.50464 1657.0 0.000611 924.45270 1728.73267 1638.0 0.000611 924.59637 1697.74536 1638.0 0.000614 924.74005 1667.95642 1629.0 0.000631 924.88373 1639.72461 1585.0 0.000652 925.02747 1613.35852 1534.0 0.000661 925.17114 1589.12463 1513.0 0.000697 925.31488 1567.25647 1435.0 0.000693 925.45856 1547.96655 1442.0 0.000668 925.60229 1531.45300 1497.0 0.000657 925.74597 1517.89697 1522.0 0.000674 925.88965 1507.47107 1483.0 0.000673 926.03339 1500.32629 1485.0 0.000678 926.17706 1496.59448 1474.0 0.000689 926.32074 1496.39404 1451.0 0.000686 926.46442 1499.77332 1457.0 0.000678 926.60815 1506.79297 1475.0 0.000660 926.75183 1517.46521 1515.0 0.000681 926.89557 1531.76941 1468.0 0.000677 927.03925 1549.64795 1477.0 0.000704 927.18292 1571.00342 1420.0 0.000710 927.32666 1595.68970 1408.0 0.000633 927.47034 1623.51550 1581.0 0.000684 927.61407 1654.22717 1463.0 0.000633 927.75775 1687.51306 1580.0 0.000609 927.90143 1722.98779 1642.0 0.000649 928.04510 1760.19336 1541.0 0.000623 928.18884 1798.59399 1606.0 0.000611 928.33252 1837.57385 1636.0 0.000597 928.47620 1876.44507 1675.0 0.000564 928.61993 1914.45972 1773.0 0.000577 928.76361 1950.83374 1733.0 0.000543 928.90735 1984.78052 1841.0 0.000515 929.05103 2015.55408 1941.0 0.000531 929.19476 2042.50085 1883.0 0.000500 929.33844 2065.10181 1999.0 0.000504 929.48212 2083.01709 1983.0 0.000498 929.62579 2096.09229 2009.0 0.000485 929.76947 2104.36450 2060.0 0.000485 929.91321 2108.03027 2061.0 0.000508 930.05688 2107.39966 1969.0 0.000464 930.20062 2102.84448 2156.0 0.000492 930.34430 2094.74414 2033.0 0.000491 930.48804 2083.43555 2038.0 0.000483 930.63171 2069.19165 2069.0 0.000471 930.77539 2052.25439 2124.0 0.000479 930.91913 2032.62939 2086.0 0.000484 931.06281 2010.41992 2065.0 0.000485 931.20654 1985.64966 2061.0 0.000498 931.35016 1958.34753 2010.0 0.000482 931.49390 1928.58691 2076.0 0.000507 931.63757 1896.50903 1973.0 0.000501 931.78131 1862.34058 1997.0 0.000544 931.92499 1826.38757 1837.0 0.000533 932.06866 1789.02563 1876.0 0.000541 932.21240 1750.67065 1850.0 0.000556 932.35608 1711.75427 1797.0 0.000590 932.49982 1672.69434 1694.0 0.000549 932.64349 1633.87646 1822.0 0.000606 932.78723 1595.63843 1649.0 0.000590 932.93091 1558.26648 1696.0 0.000624 933.07452 1522.01563 1602.0 0.000636 933.21826 1487.01794 1573.0 0.000586 933.36194 1453.43921 1707.0 0.000662 933.50568 1421.38721 1510.0 0.000678 933.64935 1390.94666 1476.0 0.000683 933.79309 1362.18518 1464.0 0.000695 933.93677 1335.16284 1439.0 0.000739 934.08051 1309.93005 1353.0 0.000709 934.22418 1286.53552 1411.0 0.000723 934.36786 1265.02209 1384.0 0.000746 934.51160 1245.42700 1340.0 0.000739 934.65527 1228.12427 1354.0 0.000754 934.79895 1212.46094 1327.0 0.000781 934.94263 1198.81409 1281.0 0.000762 935.08636 1187.15259 1312.0 0.000832 935.23004 1177.49817 1202.0 0.000810 935.37378 1169.83813 1234.0 0.000799 935.51746 1164.14978 1252.0 0.000822 935.66113 1160.39331 1217.0 0.000779 935.80487 1158.58728 1284.0 0.000841 935.94855 1158.50183 1189.0 0.000787 936.09229 1160.11328 1271.0 0.000800 936.23596 1163.29907 1250.0 0.000851 936.37964 1167.91272 1175.0 0.000813 936.52332 1173.78589 1230.0 0.000811 936.66699 1180.73621 1233.0 0.000816 936.81073 1188.70764 1225.0 0.000793 936.95441 1197.15088 1261.0 0.000801 937.09814 1206.01074 1248.0 0.000794 937.24182 1215.03308 1260.0 0.000775 937.38556 1223.99805 1291.0 0.000790 937.52924 1232.68823 1266.0 0.000766 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549.51801 559.0 0.001776 519.26703 549.40051 563.0 0.001869 519.17932 549.27625 535.0 0.001859 519.09155 549.15100 538.0 0.001832 519.00378 549.01251 546.0 0.001754 518.91608 548.86829 570.0 0.001818 518.82837 548.71625 550.0 0.001901 518.74060 548.55975 526.0 0.001869 518.65283 548.39496 535.0 0.001942 518.56506 548.22327 515.0 0.001869 518.47736 548.04590 535.0 0.001661 518.38959 547.86090 602.0 0.001761 518.30182 547.66925 568.0 0.001916 518.21411 547.47003 522.0 0.001859 518.12634 547.26416 538.0 0.001799 518.03857 547.05017 556.0 0.001799 517.95087 546.82928 556.0 0.001832 517.86316 546.60278 546.0 0.001873 517.77539 546.33917 534.0 0.001812 517.68762 546.09509 552.0 0.001946 517.59991 545.84564 514.0 0.001792 517.51215 545.58881 558.0 0.001786 517.42438 545.32538 560.0 0.001898 517.33661 545.05554 527.0 0.001859 517.24890 544.77893 538.0 0.001783 517.16113 544.49829 561.0 0.001838 517.07343 544.21155 544.0 0.001818 516.98572 543.91693 550.0 0.001880 516.89795 543.62225 532.0 0.001912 516.81018 543.32428 523.0 0.001923 516.72241 543.02423 520.0 0.001946 516.63470 542.72168 514.0 0.001880 516.54694 542.41809 532.0 0.002000 516.45917 542.11383 500.0 0.001859 516.37140 541.80945 538.0 0.001805 516.28369 541.50549 554.0 0.001957 516.19592 541.20264 511.0 0.001832 516.10822 540.90137 546.0 0.001912 516.02051 540.60260 523.0 0.001931 515.93274 540.30621 518.0 0.001825 515.84497 540.01215 548.0 0.001812 515.75720 539.72241 552.0 0.001887 515.66949 539.43628 530.0 0.001842 515.58173 539.15381 543.0 0.001976 515.49396 538.87616 506.0 0.001912 515.40625 538.60388 523.0 0.001848 515.31848 538.33582 541.0 0.001923 515.23071 538.07306 520.0 0.001770 515.14301 537.81525 565.0 0.001802 515.05530 537.56384 555.0 0.001942 514.96753 537.31714 515.0 0.001898 514.87976 537.07635 527.0 0.001953 514.79205 536.84131 512.0 0.001692 514.70428 536.61169 591.0 0.001783 514.61652 536.38739 561.0 0.001808 514.52875 536.16962 553.0 0.001919 514.44104 535.95685 521.0 0.001795 514.35327 535.75012 557.0 0.001972 514.26550 535.51733 507.0 0.001799 514.17780 535.32275 556.0 0.001916 514.09009 535.13251 522.0 0.001916 514.10309 535.04755 522.0 0.001773 514.13696 534.98975 564.0 0.001916 514.17078 534.93536 522.0 0.001938 514.20465 534.88654 516.0 0.001821 514.23853 534.84125 549.0 0.001908 514.27240 534.80066 524.0 0.001859 514.30627 534.76453 538.0 0.001912 514.34015 534.73096 523.0 0.002016 514.37402 534.70111 496.0 0.001916 514.40790 534.67413 522.0 0.001838 514.44177 534.65057 544.0 0.001761 514.47565 534.62897 568.0 0.001848 514.50952 534.60956 541.0 0.001795 514.54333 534.59167 557.0 0.001770 514.57721 534.57520 565.0 0.001848 514.61108 534.55939 541.0 0.001661 514.64496 534.54407 602.0 0.001828 514.67883 534.53003 547.0 0.001786 514.71271 534.51587 560.0 0.001883 514.74658 534.50128 531.0 0.001776 514.78046 534.48645 563.0 0.001916 514.81433 534.47125 522.0 0.001972 514.84821 534.45557 507.0 0.001792 514.88208 534.43945 558.0 0.001799 514.91589 534.42279 556.0 0.001953 514.94977 534.40430 512.0 0.001751 514.98364 534.38513 571.0 0.001890 515.01752 534.36475 529.0 0.001876 515.05139 534.34375 533.0 0.001721 515.08527 534.32141 581.0 0.001905 515.11914 534.29846 525.0 0.001754 515.15302 534.27405 570.0 0.001799 515.18689 534.24866 556.0 0.001828 515.22076 534.22247 547.0 0.001783 515.25458 534.19629 561.0 0.001965 515.28845 534.16870 509.0 0.001855 515.32233 534.14069 539.0 0.001927 515.35620 534.11230 519.0 0.001852 515.39008 534.08405 540.0 0.001832 515.42395 534.05518 546.0 0.001866 515.45782 533.98547 536.0 0.001923 515.49170 533.95715 520.0 0.001701 515.52557 533.92896 588.0 0.001927 515.55945 533.90173 519.0 0.001883 515.59332 533.87531 531.0 0.001923 515.62714 533.84998 520.0 0.001866 515.66101 533.82605 536.0 0.001972 515.69489 533.80463 507.0 0.001773 515.72876 533.78424 564.0 0.001869 515.76263 533.76660 535.0 0.001730 515.79651 533.75085 578.0 0.001869 515.83038 533.73798 535.0 0.001905 515.86420 533.72803 525.0 0.001828 515.89813 533.72192 547.0 0.001779 515.93201 533.71863 562.0 0.001873 515.96588 533.71973 534.0 0.001825 515.99969 533.72424 548.0 0.001751 516.03357 533.73364 571.0 0.001931 516.06744 533.74768 518.0 0.001855 516.10132 533.76691 539.0 0.001848 516.13519 533.79077 541.0 0.001905 516.16907 533.82031 525.0 0.001855 516.20294 533.85553 539.0 0.001799 516.23676 533.89685 556.0 0.001828 516.27063 533.94421 547.0 0.001965 516.30450 533.99756 509.0 0.001919 516.33838 534.05884 521.0 0.001923 516.37225 534.12616 520.0 0.001880 516.40613 534.20026 532.0 0.001984 516.44000 534.28229 504.0 0.001695 516.47388 534.37164 590.0 0.001832 516.50775 534.46881 546.0 0.001838 516.54163 534.57355 544.0 0.001808 516.57550 534.68640 553.0 0.001842 516.60931 534.80878 543.0 0.001718 516.64319 534.93890 582.0 0.001880 516.67706 535.07831 532.0 0.001869 516.71094 535.22638 535.0 0.001767 516.74481 535.36383 566.0 0.001887 516.77869 535.53186 530.0 0.001931 516.81256 535.71039 518.0 0.001742 516.84644 535.89917 574.0 0.001901 516.88031 536.09943 526.0 0.001721 516.91418 536.31104 581.0 0.001828 516.94800 536.53424 547.0 0.001821 516.98187 536.77002 549.0 0.001799 517.01575 537.01868 556.0 0.001887 517.04962 537.26282 530.0 0.001733 517.08350 537.53735 577.0 0.001730 517.11737 537.82501 578.0 0.001883 517.15125 538.12793 531.0 0.001890 517.18512 538.44385 529.0 0.001842 517.21899 538.77527 543.0 0.001838 517.25287 539.12012 544.0 0.001976 517.28674 539.47968 506.0 0.001835 517.32056 539.85419 545.0 0.001664 517.35443 540.24310 601.0 0.001770 517.38831 540.64563 565.0 0.001890 517.42218 541.06177 529.0 0.001745 517.45605 541.49133 573.0 0.001698 517.48993 541.93359 589.0 0.001923 517.52380 542.38824 520.0 0.001815 517.55768 542.85352 551.0 0.001946 517.59155 543.32965 514.0 0.001812 517.62543 543.81567 552.0 0.001876 517.65930 544.30920 533.0 0.001883 517.69312 544.80945 531.0 0.001733 517.72699 545.31567 577.0 0.001802 517.76086 545.82556 555.0 0.001848 517.79474 546.34540 541.0 0.001852 517.82861 546.85779 540.0 0.001773 517.86249 547.37061 564.0 0.001818 517.89636 547.87964 550.0 0.001880 517.93024 548.38562 532.0 0.001821 517.96411 548.88330 549.0 0.001742 517.99799 549.37219 574.0 0.001751 518.03180 549.85022 571.0 0.001795 518.06567 550.31702 557.0 0.001681 518.09955 550.76788 595.0 0.001890 518.13342 551.20386 529.0 0.001592 518.16730 551.62115 628.0 0.001764 518.20117 552.01978 567.0 0.001748 518.23505 552.39740 572.0 0.001736 518.26892 552.75201 576.0 0.001658 518.30273 553.08441 603.0 0.001681 518.33661 553.38306 595.0 0.001658 518.37054 553.66577 603.0 0.001789 518.40436 553.92242 559.0 0.001718 518.43823 554.15356 582.0 0.001639 518.47211 554.35767 610.0 0.001767 518.50598 554.53510 566.0 0.001745 518.53986 554.68658 573.0 0.001783 518.57373 554.81189 561.0 0.001832 518.60760 554.91302 546.0 0.001776 518.64142 554.98743 563.0 0.001692 518.67529 555.03943 591.0 0.001724 518.70917 555.06805 580.0 0.001751 518.74304 555.07526 571.0 0.001761 518.77692 555.06207 568.0 0.001761 518.81079 555.02991 568.0 0.001669 518.84467 554.98022 599.0 0.001927 518.87854 554.90887 519.0 0.001832 518.91241 554.82867 546.0 0.001795 518.94629 554.73578 557.0 0.001890 518.98016 554.63208 529.0 0.001832 519.01398 554.51959 546.0 0.001727 519.04785 554.39954 579.0 0.001866 519.08173 554.27191 536.0 0.001919 519.11560 554.14056 521.0 0.001862 519.14948 554.00934 537.0 0.001866 519.18335 553.87244 536.0 0.001776 519.21722 553.73376 563.0 0.001773 519.25110 553.59460 564.0 0.001873 519.28497 553.45776 534.0 0.001773 519.31885 553.32062 564.0 0.001786 519.35272 553.18500 560.0 0.001859 519.38654 553.05084 538.0 0.001996 519.42041 552.91901 501.0 0.001992 519.45428 552.78821 502.0 0.001773 519.48816 552.65942 564.0 0.001957 519.52203 552.53162 511.0 0.001686 519.55591 552.40430 593.0 0.001919 519.58978 552.27740 521.0 0.001919 519.62366 552.15002 521.0 0.001792 519.65753 552.02039 558.0 0.001642 519.69141 551.88928 609.0 0.001739 519.72522 551.75464 575.0 0.001799 519.75909 551.61627 556.0 0.001869 519.79297 551.47211 535.0 0.001786 519.82684 551.32294 560.0 0.001812 519.86072 551.16632 552.0 0.001927 519.89459 551.00299 519.0 0.001946 519.92847 550.83191 514.0 0.001678 519.96234 550.65247 596.0 0.001776 519.99622 550.42505 563.0 0.001842 520.03009 550.22705 543.0 0.001792 520.06396 550.01874 558.0 0.001848 520.09778 549.80042 541.0 0.001748 520.13165 549.57343 572.0 0.001757 520.16553 549.33594 569.0 0.001835 520.19940 549.09021 545.0 0.001727 520.23328 548.83417 579.0 0.001789 520.26715 548.57098 559.0 0.001825 520.30103 548.29938 548.0 0.001901 520.33484 548.02087 526.0 0.001835 520.36871 547.73694 545.0 0.001949 520.40265 547.44775 513.0 0.001656 520.43652 547.15405 604.0 0.001783 520.47034 546.85724 561.0 0.001821 520.50421 546.55902 549.0 0.001842 520.53809 546.26001 543.0 0.001818 520.57196 545.96149 550.0 0.001848 520.60583 545.66473 541.0 0.001848 520.63971 545.36987 541.0 0.001852 520.67358 545.07910 540.0 0.001876 520.70740 544.79266 533.0 0.001969 520.74127 544.51239 508.0 0.001880 520.77515 544.23816 532.0 0.001876 520.80902 543.97119 533.0 0.001938 520.84290 543.71167 516.0 0.001805 520.87677 543.46051 554.0 0.001764 520.91064 543.21735 567.0 0.001730 520.94452 542.98315 578.0 0.001812 520.97839 542.75830 552.0 0.001799 521.01227 542.54199 556.0 0.001859 521.04614 542.33478 538.0 0.001869 521.07996 542.13617 535.0 0.001808 521.11383 541.94482 553.0 0.001779 521.14771 541.76196 562.0 0.001799 521.18158 541.58716 556.0 0.001876 521.21545 541.41888 533.0 0.001754 521.24933 541.25775 570.0 0.001783 521.28320 541.10077 561.0 0.001802 521.31708 540.95001 555.0 0.001887 521.35095 540.80280 530.0 0.001880 521.38483 540.65979 532.0 0.001866 521.41864 540.51990 536.0 0.001757 521.45251 540.38226 569.0 0.001795 521.48639 540.24609 557.0 0.001767 521.52026 540.11212 566.0 0.001742 521.55414 539.97882 574.0 0.001883 521.58801 539.84528 531.0 0.001799 521.62189 539.71228 556.0 0.001912 521.65576 539.57947 523.0 0.002028 521.68964 539.44611 493.0 0.001908 521.72351 539.31195 524.0 0.001736 521.75739 539.17737 576.0 0.002049 521.79120 539.04224 488.0 0.001770 521.82507 538.91290 565.0 0.002058 521.85895 538.77771 486.0 0.001845 521.89282 538.64148 542.0 0.001942 521.92670 538.50543 515.0 0.001923 521.96057 538.36975 520.0 0.001949 521.99445 538.23535 513.0 0.001887 522.02832 538.10181 530.0 0.001894 522.06219 537.96997 528.0 0.001946 522.09607 537.83972 514.0 0.001901 522.12994 537.71185 526.0 0.001912 522.16376 537.58636 523.0 0.001808 522.19763 537.46490 553.0 0.001869 522.23151 537.34656 535.0 0.001855 522.26538 537.23138 539.0 0.001818 522.29926 537.12042 550.0 0.002053 522.33313 537.01379 487.0 0.001799 522.36700 536.91217 556.0 0.001848 522.40082 536.81500 541.0 0.001848 522.43475 536.72400 541.0 0.001969 522.46863 536.63708 508.0 0.001855 522.50250 536.55603 539.0 0.001828 522.53632 536.48029 547.0 0.001898 522.57019 536.41132 527.0 0.001965 522.60406 536.34680 509.0 0.001799 522.63794 536.28815 556.0 0.002000 522.67181 536.23590 500.0 0.001767 522.70569 536.18927 566.0 0.001786 522.73956 536.14838 560.0 0.001862 522.77338 536.11340 537.0 0.001852 522.80725 536.08411 540.0 0.001855 522.84113 536.06110 539.0 0.002083 522.87500 536.04285 480.0 0.001919 522.90887 536.03174 521.0 0.001808 522.94275 536.02673 553.0 0.001745 522.97662 536.02661 573.0 0.001927 523.01050 536.03351 519.0 0.001880 523.04437 536.04706 532.0 0.001852 523.07825 536.06653 540.0 0.001745 523.11206 536.09198 573.0 0.001946 523.14594 536.12360 514.0 0.001845 523.17981 536.16248 542.0 0.001912 523.21368 536.20819 523.0 0.001931 523.24756 536.26593 518.0 0.002075 523.28143 536.32623 482.0 0.001812 523.31531 536.39465 552.0 0.001805 523.34918 536.47137 554.0 0.001927 523.38306 536.55609 519.0 0.002028 523.41693 536.64984 493.0 0.001754 523.45081 536.75232 570.0 0.001855 523.48462 536.86377 539.0 0.001818 523.51849 536.98511 550.0 0.001931 523.55237 537.11688 518.0 0.001965 523.58624 537.25806 509.0 0.001912 523.62012 537.41016 523.0 0.001890 523.65399 537.57349 529.0 . . . 552.0 . . . 553.0 . . . 539.0 . . . 555.0 . . . 487.0 . . . 491.0 . . . 525.0 . . . 525.0 . . . 533.0 . . . 503.0 . . . 510.0 . . . 578.0 . . . 519.0 . . . 557.0 . . . 534.0 . . . 533.0 . . . 501.0 . . . 534.0 . . . 542.0 . . . 571.0 . . . 542.0 . . . 524.0 . . . 530.0 . . . 534.0 . . . 533.0 . . . 512.0 . . . 550.0 . . . 533.0 . . . 574.0 . . . 552.0 . . . 551.0 . . . 530.0 . . . 566.0 . . . 527.0 . . . 563.0 . . . 536.0 . . . 606.0 . . . 538.0 . . . 541.0 . . . 567.0 . . . 561.0 . . . 523.0 . . . 552.0 . . . 557.0 . . . 542.0 . . . 604.0 . . . 573.0 . . . 576.0 . . . 557.0 . . . 560.0 . . . 549.0 . . . 559.0 . . . 575.0 . . . 521.0 . . . 554.0 . . . 561.0 . . . 554.0 . . . 568.0 . . . 556.0 . . . 562.0 . . . 542.0 . . . 542.0 . . . 560.0 . . . 570.0 . . . 510.0 . . . 553.0 . . . 540.0 . . . 547.0 . . . 525.0 . . . 552.0 . . . 534.0 . . . 593.0 . . . 517.0 . . . 509.0 . . . 559.0 . . . 559.0 . . . 506.0 . . . 579.0 . . . 540.0 . . . 516.0 . . . 563.0 . . . 558.0 . . . 543.0 . . . 539.0 . . . 543.0 . . . 543.0 . . . 594.0 . . . 532.0 . . . 600.0 . . . 538.0 . . . 603.0 . . . 543.0 . . . 530.0 . . . 553.0 . . . 558.0 . . . 523.0 . . . 530.0 . . . 554.0 . . . 555.0 . . . 528.0 . . . 568.0 . . . 535.0 . . . 510.0 . . . 559.0 . . . 550.0 . . . 533.0 . . . 575.0 . . . 580.0 . . . 556.0 . . . 529.0 . . . 497.0 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 1 0 1 o 1228.061 1225.229 0.00 9.22704 95.41 1 1 0 2 o 1234.019 1225.229 0.00 9.22704 47.70 0 2 0 1 o 1238.092 1190.639 0.00 6.98600 15.72 0 2 0 2 o 1239.414 1190.639 0.00 6.98600 7.83 2 0 0 1 o 2898.358 2909.490 180.00 6.14384 92.08 2 0 0 2 o 2909.735 2909.490 180.00 6.14384 45.99 1 2 0 1 o 169.628 165.640 180.00 6.07310 4.07 1 2 0 2 o 172.311 165.640 180.00 6.07310 2.06 2 1 0 1 o 181.420 176.223 -180.00 5.62412 7.50 2 1 0 2 o 173.465 176.223 -180.00 5.62412 3.57 2 2 0 1 o 52.443 71.812 180.00 4.61352 0.98 2 2 0 2 o 53.236 71.812 180.00 4.61352 0.50 1 3 0 1 o 1183.827 1107.309 0.00 4.35501 12.70 1 3 0 2 o 1142.745 1107.309 0.00 4.35501 6.10 0 0 1 1 o 5322.680 5347.361 164.47 3.93043 20.70 0 0 1 2 o 5318.154 5347.361 164.47 3.93043 10.28 3 1 0 1 o 258.227 259.156 0.00 3.93048 5.72 3 1 0 2 o 258.069 259.156 0.00 3.93048 2.84 1 1 1 1 o 661.703 671.549 178.57 3.61604 9.29 1 1 1 2 o 660.436 671.549 178.57 3.61604 4.61 2 3 0 1 o 369.983 358.627 0.00 3.71148 3.55 2 3 0 2 o 350.748 358.627 0.00 3.71148 1.68 3 2 0 1 o 889.062 878.458 -180.00 3.53337 11.96 3 2 0 2 o 877.726 878.458 -180.00 3.53337 5.87 0 2 1 1 o 5510.118 5470.496 -174.32 3.42550 32.03 0 2 1 2 o 5500.987 5470.496 -174.32 3.42550 15.91 2 0 1 1 o 697.775 692.457 72.84 3.31089 4.86 2 0 1 2 o 693.193 692.457 72.84 3.31089 2.40 0 4 0 1 o 3025.558 2867.080 180.00 3.49300 9.21 0 4 0 2 o 3010.205 2867.080 180.00 3.49300 4.56 1 2 1 1 o 8762.088 8766.545 -71.64 3.29968 100.00 1 2 1 2 o 8744.245 8766.545 -71.64 3.29968 49.63 2 1 1 1 o 664.474 679.919 169.57 3.22167 8.67 2 1 1 2 o 674.318 679.919 169.57 3.22167 4.37 1 4 0 1 o 80.198 91.651 180.00 3.35988 0.48 1 4 0 2 o 82.544 91.651 180.00 3.35988 0.24 4 0 0 1 o 137.439 131.174 180.00 3.07192 1.03 4 0 0 2 o 133.249 131.174 180.00 3.07192 0.50 2 2 1 1 o 354.135 353.733 -16.28 2.99189 3.77 2 2 1 2 o 364.895 353.733 -16.28 2.99189 1.93 3 3 0 1 o 563.426 528.915 -180.00 3.07568 4.53 3 3 0 2 o 541.385 528.915 -180.00 3.07568 2.17 4 1 0 1 o 50.023 51.494 -180.00 3.00026 0.67 4 1 0 2 o 51.288 51.494 -180.00 3.00026 0.34 2 4 0 1 o 40.265 39.732 0.00 3.03655 0.23 2 4 0 2 o 41.324 39.732 0.00 3.03655 0.12 1 3 1 1 o 131.157 137.524 -146.49 2.91783 1.13 1 3 1 2 o 129.314 137.524 -146.49 2.91783 0.56 3 1 1 1 o 9.823 21.306 61.76 2.77925 0.12 3 1 1 2 o 9.564 21.306 61.76 2.77925 0.06 4 2 0 1 o 184.127 171.702 0.00 2.81206 1.74 4 2 0 2 o 169.233 171.702 0.00 2.81206 0.80 2 3 1 1 o 618.188 580.702 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