data_C4Br4Sb_publ _pd_block_id 2005-09-08T15:39|C4Br4Sb|R.B._Helmholdt|ID31 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2005-09-08T15:39 _audit_author_name "R.B. Helmholdt" _audit_update_record ; 2005-09-08T15:39 Initial CIF as created by GSAS2CIF ; #============================================================================= # this information describes the project, paper etc. for the CIF # # Acta Cryst. Section C papers and editorial correspondence is generated # # from the information in this section # # # # (from) CIF submission form for Rietveld refinements (Acta Cryst. C) # # Version 14 December 1998 # #============================================================================= # 1. SUBMISSION DETAILS _publ_contact_author_name 'Robert B. Helmholdt' _publ_contact_author_address # Address of author for correspondence ; Laboratory for Crystallography Van 't Hoff Institute for Molecular Sciences (HIMS) Faculty of Science (FNWI) University of Amsterdam Valckenierstraat 65 1018 XE Amsterdam The Netherlands ; _publ_contact_author_email rbh@science.uva.nl _publ_contact_author_fax '+31 20 5256940' _publ_contact_author_phone '+31 20 5257033' _publ_contact_letter ; ? ; _publ_requested_journal 'Acta Cryst. B' _publ_requested_coeditor_name ? _publ_requested_category ? # Acta C: one of CI/CM/CO/FI/FM/FO #============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_data_validation_number ? _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_paper_category ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; The Crystal Structure of tetrabromothiophene and tetrabromoselenophene; the influence of the heteroatom on the heterophene packing ; _publ_section_title_footnote ; ? ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_footnote _publ_author_address #<--'Last name, first name' 'Helmholdt, Robert B.' ; ; ; Laboratory for Crystallography Van 't Hoff Institute for Molecular Sciences (HIMS) Faculty of Science (FNWI) University of Amsterdam Valckenierstraat 65 1018 XE Amsterdam The Netherlands ; 'Sonneveld, Ed J.' ; ; ; Laboratory for Crystallography Van 't Hoff Institute for Molecular Sciences (HIMS) Faculty of Science (FNWI) University of Amsterdam Valckenierstraat 65 1018 XE Amsterdam The Netherlands ; 'Vande Velde, Christophe M.L.' ; ; ; University of Antwerp Department of Chemistry Universiteitsplein 1 2160 Wilrijk Belgium ; 'Blockhuys, Frank' ; ; ; University of Antwerp Department of Chemistry Universiteitsplein 1 2160 Wilrijk Belgium ; 'Lenstra, Albert T.H.' ; ; ; University of Antwerp Department of Chemistry Universiteitsplein 1 2160 Wilrijk Belgium ; 'Geise, Herman J.' ; decease december 1, 2006 ; ; University of Antwerp Department of Chemistry Universiteitsplein 1 2160 Wilrijk Belgium ; 'Peschar, Ren\'e' ; ; ; Laboratory for Crystallography Van 't Hoff Institute for Molecular Sciences (HIMS) Faculty of Science (FNWI) University of Amsterdam Valckenierstraat 65 1018 XE Amsterdam The Netherlands ; #============================================================================== # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep # Details of the preparation of the sample(s) # should be given here. ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; ? ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #============================================================================= # 5. OVERALL REFINEMENT & COMPUTING DETAILS _refine_special_details ; ? ; _pd_proc_ls_special_details ; ? ; # The following items are used to identify the programs used. _computing_molecular_graphics ? _computing_publication_material ? _refine_ls_weighting_scheme ? _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _refine_ls_number_constraints ? _refine_ls_restrained_S_all ? _refine_ls_restrained_S_obs ? #============================================================================== # 6. SAMPLE PREPARATION DATA # (In the unusual case where multiple samples are used in a single # Rietveld study, this information should be moved into the phase # blocks) # The following three fields describe the preparation of the material. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? _pd_char_colour 'white' # use ICDD colour descriptions _refine_ls_shift/su_max 2.86 _refine_ls_shift/su_mean 0.27 _computing_structure_refinement GSAS _refine_ls_number_parameters 67 _refine_ls_goodness_of_fit_all 2.51 _refine_ls_number_restraints 28 _refine_ls_matrix_type full #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall ? _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _cell_measurement_temperature ? _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution ? #============================================================================== # 8. Phase information from GSAS _pd_phase_name "C4Br4S1 batch 1 at room temp" _cell_length_a 12.6482(9) _cell_length_b 4.03617(27) _cell_length_c 16.3411(11) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 834.22(17) _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M "P ca21" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y,+z+1/2 3 +x+1/2,-y,+z 4 -x,-y,+z+1/2 # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS 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 Br Br1 0.6273(8) 0.610(4) 0.44816(34) 1.0 Uiso 0.01202 4 Br Br2 0.3747(10) 1.002(6) 0.3733(4) 1.0 Uiso 0.01202 4 Br Br3 0.3735(13) 1.004(6) 0.1590(4) 1.0 Uiso 0.01202 4 Br Br4 0.6232(10) 0.586(4) 0.0761(4) 1.0 Uiso 0.01202 4 S S 0.6763(7) 0.5780(34) 0.2621(5) 1.0 Uiso 0.05047 4 C C1 0.5909(13) 0.682(10) 0.33601(31) 1.0 Uiso 0.07183 4 C C2 0.4886(10) 0.790(7) 0.30668(29) 1.0 Uiso 0.07183 4 C C3 0.4874(10) 0.790(6) 0.22114(29) 1.0 Uiso 0.07183 4 C C4 0.5900(11) 0.683(8) 0.18965(32) 1.0 Uiso 0.07183 4 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "C4 Br4 S" _chemical_formula_weight 399.72 _cell_formula_units_Z 4 # MOLECULAR GEOMETRY 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 Br1 S 3.106(10) . 1_555 N Br1 C1 1.912(8) . 1_555 N Br2 Br3 3.502(5) . 1_555 N Br2 C2 1.998(9) . 1_555 N Br3 Br2 3.502(5) . 1_555 N Br3 C3 1.964(9) . 1_555 N Br4 S 3.112(10) . 1_555 N Br4 C4 1.942(8) . 1_555 N S Br1 3.106(10) . 1_555 N S Br4 3.112(10) . 1_555 N S C1 1.674(8) . 1_555 N S C4 1.664(8) . 1_555 N C1 Br1 1.912(8) . 1_555 N C1 S 1.674(8) . 1_555 N C1 C2 1.447(5) . 1_555 N C2 Br2 1.998(9) . 1_555 N C2 C1 1.447(5) . 1_555 N C2 C3 1.398(5) . 1_555 N C3 Br3 1.964(9) . 1_555 N C3 C2 1.398(5) . 1_555 N C3 C4 1.462(5) . 1_555 N C4 Br4 1.942(8) . 1_555 N C4 S 1.664(8) . 1_555 N C4 C3 1.462(5) . 1_555 N 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 C1 S C4 91.53(25) 1_555 . 1_555 N Br1 C1 S 119.92(32) 1_555 . 1_555 N Br1 C1 C2 125.35(34) 1_555 . 1_555 N S C1 C2 114.41(28) 1_555 . 1_555 N Br2 C2 C1 126.4(4) 1_555 . 1_555 N Br2 C2 C3 122.49(30) 1_555 . 1_555 N C1 C2 C3 109.92(29) 1_555 . 1_555 N Br3 C3 C2 121.65(31) 1_555 . 1_555 N Br3 C3 C4 126.9(4) 1_555 . 1_555 N C2 C3 C4 110.03(29) 1_555 . 1_555 N Br4 C4 S 119.10(35) 1_555 . 1_555 N Br4 C4 C3 126.0(4) 1_555 . 1_555 N S C4 C3 114.02(29) 1_555 . 1_555 N # Powder diffraction data for histogram 1 #============================================================================== # 9. INSTRUMENT CHARACTERIZATION _exptl_special_details ; ? ; # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; ? ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; ? ; _diffrn_ambient_temperature ? _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method ? # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following two items identify the program(s) used (if appropriate). _computing_data_collection ? _computing_data_reduction ? # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator ? # The following items are used to define the size of the instrument. # Not all distances are appropriate for all instrument types. _pd_instr_dist_src/mono ? _pd_instr_dist_mono/spec ? _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc ? # 10. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; ? ; _pd_spec_mount_mode ? # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Br 16.0 -0.374 2.456 17.1789 2.17230 5.23580 16.5796 5.63770 0.26090 3.98510 41.4328 2.95570 International_Tables_Vol_C S 4.0 0.110 0.124 6.90530 1.46790 5.20340 22.2151 1.43790 0.25360 1.58630 56.1720 0.86690 International_Tables_Vol_C C 16.0 0.002 0.002 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.0 _diffrn_radiation_wavelength 1.25011 _diffrn_radiation_type ? _pd_proc_ls_prof_R_factor 0.1077 _pd_proc_ls_prof_wR_factor 0.1421 _pd_proc_ls_prof_wR_expected 0.0575 _refine_ls_R_Fsqd_factor 0.19058 _pd_proc_ls_background_function ; GSAS Background function number 1 with 18 terms. Shifted Chebyshev function of 1st kind 1: 302.630 2: -207.519 3: 202.141 4: -93.4384 5: 58.8492 6: -59.2212 7: 38.4159 8: -15.8456 9: -2.56441 10: -1.26953 11: 8.56407 12: -2.67527 13: -5.87987 14: 0.479838 15: 1.19978 16: 2.72791 17: -2.067780E-0218: 4.48364 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_ls_pref_orient_corr ; Spherical Harmonic ODF Spherical harmonic order= 6 The sample symmetry is: cylindrical (fiber texture) Index = 2 0 0 Coeff= -0.7196 Index = 2 0 2 Coeff= -0.4907 Index = 4 0 0 Coeff= 1.3699 Index = 4 0 2 Coeff= -0.1710 Index = 4 0 4 Coeff= 0.5789 Index = 6 0 0 Coeff= -0.7377 Index = 6 0 2 Coeff= 0.5782 Index = 6 0 4 Coeff= 0.2265 Index = 6 0 6 Coeff= -0.9793 Prefered orientation correction range: Min= 0.63036, Max= 2.10412 ; _pd_proc_ls_profile_function ; CW Profile function number 4 with 18 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 14.751 #2(GV) = -3.731 #3(GW) = 0.460 #4(GP) = 0.000 #5(LX) = 0.000 #6(ptec) = 0.00 #7(trns) = -0.68 #8(shft) = 0.2406 #9(sfec) = 0.00 #10(S/L) = 0.0012 #11(H/L) = 0.0027 #12(eta) = 1.0000 #13(S400 ) = 2.4E-03 #14(S040 ) = 6.8E-01 #15(S004 ) = 6.7E-05 #16(S220 ) = 2.1E-02 #17(S202 ) = 6.9E-03 #18(S022 ) = 1.1E-01 Peak tails are ignored where the intensity is below 0.0045 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_peak_cutoff 0.00450 _pd_proc_info_datetime 2005-09-08T15:39:42 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 4.0 _pd_meas_2theta_range_max 77.96 _pd_meas_2theta_range_inc 0.005 _pd_proc_2theta_range_min 4.0 _pd_proc_2theta_range_max 77.96 _pd_proc_2theta_range_inc 0.005 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 1092.0 0.000916 975.61255 975.62152 1036.0 0.000965 974.72693 974.73566 1139.0 0.000878 973.83765 973.84613 1070.0 0.000935 972.94507 972.95343 1272.0 0.000786 972.04901 972.05707 938.0 0.001066 971.14954 971.15747 834.0 0.001199 970.24683 970.25439 885.0 0.001130 969.34094 969.34839 925.0 0.001081 968.43176 968.43903 1050.0 0.000952 967.51935 967.52637 1004.0 0.000996 966.60370 966.61053 1011.0 0.000989 965.68518 965.69183 1038.0 0.000963 964.76349 964.76996 915.0 0.001093 963.83862 963.84503 1180.0 0.000847 962.91113 962.91742 958.0 0.001044 961.98071 961.98676 1105.0 0.000905 961.04736 961.05316 1109.0 0.000902 960.11127 960.11676 838.0 0.001193 959.17236 959.17773 873.0 0.001145 958.23065 958.23602 1025.0 0.000976 957.28632 957.29150 1006.0 0.000994 956.33948 956.34454 784.0 0.001276 955.38995 955.39471 976.0 0.001025 954.43774 954.44250 1023.0 0.000978 953.48328 953.48779 1339.0 0.000747 952.52618 952.53040 836.0 0.001196 951.56665 951.57086 953.0 0.001049 950.60468 950.60889 961.0 0.001041 949.64063 949.64453 986.0 0.001014 948.67419 948.67792 945.0 0.001058 947.70526 947.70886 1046.0 0.000956 946.73425 946.73785 1042.0 0.000960 945.76117 945.76453 939.0 0.001065 944.78583 944.78894 1116.0 0.000896 943.80829 943.81146 930.0 0.001075 942.82892 942.83185 956.0 0.001046 941.84741 941.85028 904.0 0.001106 940.86395 940.86658 877.0 0.001140 939.87836 939.88098 884.0 0.001131 938.89111 938.89343 909.0 0.001100 937.90192 937.90430 1308.0 0.000765 936.91071 936.91302 1006.0 0.000994 935.91779 935.92004 919.0 0.001088 934.92316 934.92511 840.0 0.001190 933.92694 933.92877 699.0 0.001431 932.92883 932.93073 750.0 0.001333 931.92908 931.93066 862.0 0.001160 930.92767 930.92932 930.0 0.001075 929.92487 929.92639 1177.0 0.000850 928.92047 928.92175 892.0 0.001121 927.91461 927.91559 1067.0 0.000937 926.90686 926.90808 1010.0 0.000990 925.89789 925.89886 990.0 0.001010 924.88776 924.88873 837.0 0.001195 923.87610 923.87683 758.0 0.001319 922.86304 922.86377 787.0 0.001271 921.84875 921.84924 1229.0 0.000814 920.83307 920.83356 954.0 0.001048 919.81616 919.81653 757.0 0.001321 918.79822 918.79840 939.0 0.001065 917.77887 917.77911 906.0 0.001104 916.75830 916.75867 944.0 0.001059 915.73682 915.73688 975.0 0.001026 914.71417 914.71411 919.0 0.001088 913.69037 913.69019 871.0 0.001148 912.66595 912.66577 1022.0 0.000978 911.64001 911.63983 922.0 0.001085 910.61334 910.61292 1023.0 0.000978 909.58575 909.58527 914.0 0.001094 908.55719 908.55670 780.0 0.001282 907.52789 907.52740 963.0 0.001038 906.49744 906.49689 938.0 0.001066 905.46649 905.46564 605.0 0.001653 904.43457 904.43396 641.0 0.001560 903.40179 903.40106 965.0 0.001036 902.36865 902.36768 930.0 0.001075 901.33453 901.33368 908.0 0.001101 900.29980 900.29865 822.0 0.001217 899.26440 899.26331 776.0 0.001289 898.22845 898.22723 1002.0 0.000998 897.19177 897.19061 812.0 0.001232 896.15448 896.15326 727.0 0.001376 895.11700 895.11560 923.0 0.001083 894.07867 894.07733 859.0 0.001164 893.04004 893.03864 918.0 0.001089 892.00092 891.99927 777.0 0.001287 890.96136 890.95984 777.0 0.001287 889.92126 889.91956 880.0 0.001136 888.88086 888.87903 941.0 0.001063 887.83997 887.83813 854.0 0.001171 886.79895 886.79718 875.0 0.001143 885.75751 885.75574 753.0 0.001328 884.71570 884.71399 875.0 0.001143 883.67395 883.67194 824.0 0.001214 882.63184 882.62982 926.0 0.001080 881.58936 881.58734 1095.0 0.000913 880.54688 880.54462 920.0 0.001087 879.50397 879.50189 874.0 0.001144 878.46112 878.45905 714.0 0.001401 877.41827 877.41602 666.0 0.001502 876.37488 876.37274 899.0 0.001112 875.33185 875.32965 1134.0 0.000882 874.28857 874.28619 895.0 0.001117 873.24536 873.24292 656.0 0.001524 872.20190 872.19965 753.0 0.001328 871.15875 871.15631 941.0 0.001063 870.11548 870.11304 1034.0 0.000967 869.07233 869.06995 949.0 0.001054 868.02917 868.02673 867.0 0.001153 866.98621 866.98376 913.0 0.001095 865.94342 865.94086 941.0 0.001063 864.90082 864.89825 851.0 0.001175 863.85815 863.85577 838.0 0.001193 862.81592 862.81317 716.0 0.001397 861.77350 861.77100 939.0 0.001065 860.73157 860.72900 958.0 0.001044 859.69000 859.68732 864.0 0.001157 858.64868 858.64581 945.0 0.001058 857.60748 857.60461 816.0 0.001225 856.56653 856.56384 848.0 0.001179 855.52594 855.52325 915.0 0.001093 854.48578 854.48297 748.0 0.001337 853.44611 853.44324 919.0 0.001088 852.40674 852.40393 1005.0 0.000995 851.36749 851.36481 931.0 0.001074 850.32886 850.32611 742.0 0.001348 849.29053 849.28790 831.0 0.001203 848.25287 848.25012 855.0 0.001170 847.21576 847.21271 813.0 0.001230 846.17877 846.17596 842.0 0.001188 845.14264 845.13959 849.0 0.001178 844.10663 844.10376 887.0 0.001127 843.07153 843.06860 1075.0 0.000930 842.03668 842.03387 1150.0 0.000870 841.00262 840.99976 828.0 0.001208 839.96912 839.96619 945.0 0.001058 838.93597 838.93323 954.0 0.001048 837.90381 837.90094 839.0 0.001192 836.87201 836.86914 770.0 0.001299 835.84100 835.83807 834.0 0.001199 834.81085 834.80792 870.0 0.001149 833.78113 833.77826 965.0 0.001036 832.75201 832.74927 885.0 0.001130 831.72382 831.72089 661.0 0.001513 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256.79184 225.0 0.00444 256.76312 256.76294 252.0 0.00397 256.73416 256.73401 286.0 0.003497 256.70535 256.70505 291.0 0.003436 256.67639 256.67618 259.0 0.00386 256.64749 256.64728 263.0 0.00380 256.61859 256.61841 236.0 0.00424 256.58963 256.58954 248.0 0.00403 256.56079 256.56055 241.0 0.00415 256.53186 256.53171 266.0 0.00376 256.50299 256.50281 208.0 0.00481 256.47409 256.47397 271.0 0.00369 256.44525 256.44507 281.0 0.00356 256.41638 256.41617 260.0 0.00385 256.38748 256.38730 233.0 0.00429 256.35861 256.35849 228.0 0.00439 256.32977 256.32962 277.0 0.00361 256.30093 256.30075 236.0 0.00424 256.27206 256.27194 247.0 0.00405 256.24323 256.24307 261.0 0.00383 256.21442 256.21420 260.0 0.00385 256.18558 256.18539 215.0 0.00465 256.15668 256.15656 228.0 0.00439 256.12790 256.12775 303.0 0.003300 256.09909 256.09888 233.0 0.00429 256.07028 256.07007 235.0 0.00426 256.04144 256.04123 272.0 0.00368 256.01270 256.01242 257.0 0.00389 255.98381 255.98360 175.0 0.00571 255.95505 255.95483 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288.22748 351.0 0.002849 252.61166 295.03937 297.0 0.003367 252.58391 304.00516 320.0 0.003125 252.55620 316.21671 409.0 0.002445 252.52856 333.67728 452.0 0.002212 252.50093 360.12808 474.0 0.002110 252.47324 402.07907 518.0 0.001931 252.44565 469.24805 574.0 0.001742 252.41801 572.88983 867.0 0.001153 252.39044 718.84528 1082.0 0.000924 252.36284 885.37579 1307.0 0.000765 252.33528 986.54993 1013.0 0.000987 252.30771 931.84137 889.0 0.001125 252.28018 773.86340 606.0 0.001650 252.25262 616.20422 501.0 0.001996 252.22513 498.57751 463.0 0.002160 252.19766 420.56165 462.0 0.002165 252.17014 371.47617 357.0 0.002801 252.14268 340.75247 306.0 0.003268 252.11523 320.80878 389.0 0.002571 252.08778 307.10184 345.0 0.002899 252.06030 297.16623 304.0 0.003289 252.03294 289.67780 295.0 0.003390 252.00552 283.87866 296.0 0.003378 251.97816 279.29547 292.0 0.003425 251.95082 275.61209 259.0 0.00386 251.92348 272.60886 290.0 0.003448 251.89610 270.12848 361.0 0.002770 251.86884 268.05630 274.0 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221.48163 221.78694 255.0 0.00392 221.43095 221.72166 224.0 0.00446 221.38023 221.65730 228.0 0.00439 221.32933 221.59380 234.0 0.00427 221.27838 221.53104 257.0 0.00389 221.22740 221.46892 198.0 0.00505 221.17625 221.40738 228.0 0.00439 221.12500 221.34642 233.0 0.00429 221.07373 221.28600 255.0 0.00392 221.02232 221.22597 220.0 0.00455 220.97078 220.96593 287.0 0.003484 220.91920 220.91431 239.0 0.00418 220.86754 220.86263 262.0 0.00382 220.81570 220.81085 259.0 0.00386 220.76385 220.75900 270.0 0.00370 220.71191 220.70702 267.0 0.00375 220.65990 220.65495 188.0 0.00532 220.60768 220.60278 258.0 0.00388 220.55542 220.55055 220.0 0.00455 220.50311 220.49818 238.0 0.00420 220.45065 220.44574 233.0 0.00429 220.39816 220.39322 203.0 0.00493 220.34555 220.34062 250.0 0.00400 220.29285 220.28792 192.0 0.00521 220.23999 220.23512 224.0 0.00446 220.18713 220.18221 188.0 0.00532 220.13417 220.12917 238.0 0.00420 220.08105 220.07608 216.0 0.00463 220.02788 220.02295 203.0 0.00493 219.97456 219.96965 247.0 0.00405 219.92122 219.91629 197.0 0.00508 219.86777 219.86278 264.0 0.00379 219.81421 219.80927 234.0 0.00427 219.76059 219.75558 283.0 0.00353 219.70688 219.70184 216.0 0.00463 219.65300 219.64801 198.0 0.00505 219.59908 219.59412 246.0 0.00407 219.54503 219.54008 223.0 0.00448 219.49097 219.48595 276.0 0.00362 219.43674 219.43178 231.0 0.00433 219.38243 219.37744 222.0 0.00450 219.32802 219.32306 244.0 0.00410 219.27356 219.26857 238.0 0.00420 219.21901 219.21396 213.0 0.00469 219.16428 219.15929 223.0 0.00448 219.10953 219.10454 204.0 0.00490 219.05463 219.04965 207.0 0.00483 218.99969 218.99466 216.0 0.00463 218.94467 218.93959 213.0 0.00469 218.88951 218.88449 240.0 0.00417 218.83424 218.82922 201.0 0.00498 218.77890 218.77386 227.0 0.00441 218.72353 218.71843 201.0 0.00498 218.66794 218.66292 239.0 0.00418 218.61237 218.60733 267.0 0.00375 218.55666 218.55161 265.0 0.00377 218.50082 218.49576 226.0 0.00442 218.44495 218.43990 250.0 0.00400 218.38896 218.38385 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209.13445 661.86731 788.0 0.001269 209.06461 820.06299 950.0 0.001053 208.99474 968.88641 912.0 0.001096 208.92468 1029.17603 800.0 0.001250 208.85463 955.02838 699.0 0.001431 208.78441 801.63220 547.0 0.001828 208.71408 645.44330 524.0 0.001908 208.64374 520.28564 459.0 0.002179 208.57332 430.28799 377.0 0.002653 208.50281 370.47107 400.0 0.002500 208.43208 330.11484 323.0 0.003096 208.36142 303.26590 342.0 0.002924 208.29060 284.80746 335.0 0.002985 208.21968 271.52924 296.0 0.003378 208.14870 261.56277 326.0 0.003067 208.07764 253.83551 261.0 0.00383 208.00642 247.70490 268.0 0.00373 207.93517 242.75865 287.0 0.003484 207.86385 238.71469 248.0 0.00403 207.79239 235.37164 243.0 0.00412 207.72089 232.58186 279.0 0.00358 207.64920 230.23489 266.0 0.00376 207.57755 228.24722 244.0 0.00410 207.50569 226.55446 285.0 0.00351 207.43382 225.10693 250.0 0.00400 207.36188 223.86571 265.0 0.00377 207.28979 222.80023 209.0 0.00478 207.21767 221.88646 269.0 0.00372 207.14536 221.10532 244.0 0.00410 207.07310 220.44189 240.0 0.00417 207.00067 256.05359 297.0 0.003367 206.92813 257.05304 227.0 0.00441 206.85556 258.23349 241.0 0.00415 206.78287 259.59842 228.0 0.00439 206.71013 261.15402 271.0 0.00369 206.63724 262.90948 212.0 0.00472 206.56432 274.59076 236.0 0.00424 206.49129 277.04608 250.0 0.00400 206.41817 279.75909 249.0 0.00402 206.34491 282.75461 266.0 0.00376 206.27162 286.06256 287.0 0.003484 206.19821 289.71954 322.0 0.003106 206.12477 293.77039 285.0 0.00351 206.05124 298.27017 337.0 0.002967 205.97760 303.28769 312.0 0.003205 205.90384 308.90958 286.0 0.003497 205.83000 315.24655 345.0 0.002899 205.75612 322.44305 324.0 0.003086 205.68210 330.69150 376.0 0.002660 205.60802 340.25745 366.0 0.002732 205.53386 351.52911 385.0 0.002597 205.45961 365.12772 408.0 0.002451 205.38530 382.15015 422.0 0.002370 205.31084 404.63004 498.0 0.002008 205.23634 433.55603 594.0 0.001684 205.16173 479.92822 632.0 0.001582 205.08708 548.10620 661.0 0.001513 205.01230 643.99628 770.0 0.001299 204.93745 765.47223 830.0 0.001205 204.86252 886.16071 1012.0 0.000988 204.78746 944.85059 898.0 0.001114 204.71236 907.68494 875.0 0.001143 204.63716 828.92200 853.0 0.001172 204.56187 755.86945 796.0 0.001256 204.48651 713.60132 799.0 0.001252 204.41107 702.98157 844.0 0.001185 204.33549 719.26129 880.0 0.001136 204.25986 757.82629 905.0 0.001105 204.18422 816.53717 1021.0 0.000979 204.10838 896.43683 1264.0 0.000791 204.03252 1002.02631 1178.0 0.000849 203.95654 1142.26563 1445.0 0.000692 203.88048 1333.22961 1599.0 0.000625 203.80434 1602.95325 1978.0 0.000506 203.72815 1997.83313 2248.0 0.000445 203.65187 2587.58521 2740.0 0.000365 203.57549 3463.02490 3686.0 0.0002713 203.49902 4718.80420 4911.0 0.0002036 203.42247 6405.18066 7041.0 0.0001420 203.34586 8400.96680 9984.0 0.0001002 203.26907 10165.03516 12118.0 0.0000825 203.19232 10735.84668 11174.0 0.0000895 203.11543 9692.72656 8053.0 0.0001242 203.03848 7768.04736 5428.0 0.0001842 202.96144 5844.02197 3919.0 0.0002552 202.88428 4300.00781 2933.0 0.0003409 202.80705 3180.93311 2338.0 0.000428 202.72978 2413.95313 1959.0 0.000510 202.65237 1902.73096 1576.0 0.000635 202.57494 1561.67456 1399.0 0.000715 202.49742 1329.00830 1357.0 0.000737 202.41972 1164.85425 1226.0 0.000816 202.34203 1045.53870 1157.0 0.000864 202.26424 957.39069 1081.0 0.000925 202.18639 892.36371 1027.0 0.000974 202.10840 845.53082 1049.0 0.000953 202.03038 813.82050 921.0 0.001086 201.95226 795.41528 935.0 0.001070 201.87402 789.48718 1005.0 0.000995 201.79576 796.13062 810.0 0.001235 201.71742 816.44012 1036.0 0.000965 201.63899 852.71704 998.0 0.001002 201.56047 908.77643 1204.0 0.000831 201.48184 990.29187 1125.0 0.000889 201.40317 1105.06567 1287.0 0.000777 201.32436 1263.05005 1427.0 0.000701 201.24557 1475.83032 1825.0 0.000548 201.16664 1754.91394 1895.0 0.000528 201.08762 2107.12988 2290.0 0.000437 201.00853 2523.58154 2711.0 0.000369 200.92935 2958.88159 3134.0 0.0003191 200.85010 3310.21167 3209.0 0.0003116 200.77078 3447.72144 3103.0 0.0003223 200.69139 3303.98950 2840.0 0.000352 200.61192 2945.12793 2477.0 0.000404 200.53230 2503.48730 1976.0 0.000506 200.45267 2080.57690 1685.0 0.000593 200.37296 1721.72473 1394.0 0.000717 200.29318 1435.77393 1196.0 0.000836 200.21324 1215.84692 1027.0 0.000974 200.13332 1050.39148 941.0 0.001063 200.05328 927.78522 873.0 0.001145 199.97318 838.05542 772.0 0.001295 199.89294 773.40894 789.0 0.001267 199.81270 728.23315 749.0 0.001335 199.73239 698.85626 750.0 0.001333 199.65195 683.23639 594.0 0.001684 199.57146 680.68127 724.0 0.001381 199.49084 691.63904 701.0 0.001427 199.41019 717.55206 782.0 0.001279 199.32945 760.72845 854.0 0.001171 199.24864 824.14813 1026.0 0.000975 199.16776 875.29822 1229.0 0.000814 199.08681 989.30707 1382.0 0.000724 199.00574 1127.89331 1473.0 0.000679 198.92461 1281.56555 1740.0 0.000575 198.84346 1426.56177 1963.0 0.000509 198.76213 1525.29517 2046.0 0.000489 198.68080 1542.58826 1829.0 0.000547 198.59937 1468.71631 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0.00388 235.39371 251.87755 291.0 0.003436 235.37624 252.09496 247.0 0.00405 235.35820 252.35828 276.0 0.00362 235.33965 252.63289 260.0 0.00385 235.32050 252.86810 246.0 0.00407 235.30078 253.00336 234.0 0.00427 235.28049 252.97928 223.0 0.00448 235.25963 252.75203 255.0 0.00392 235.23819 252.30614 247.0 0.00405 235.21617 251.65872 252.0 0.00397 235.19362 250.88551 237.0 0.00422 235.17046 249.98140 280.0 0.00357 235.14676 249.03609 243.0 0.00412 235.12250 248.05301 313.0 0.003195 235.09766 247.16322 231.0 0.00433 235.07227 246.34497 236.0 0.00424 235.04626 245.34023 243.0 0.00412 235.01970 244.70856 260.0 0.00385 234.99261 244.17598 262.0 0.00382 234.96494 243.74309 242.0 0.00413 234.93669 243.40855 206.0 0.00485 234.90791 243.17021 252.0 0.00397 234.87848 243.02544 245.0 0.00408 234.84856 243.00748 218.0 0.00459 234.81807 243.04283 238.0 0.00420 234.78699 243.16489 221.0 0.00452 234.75534 243.37172 245.0 0.00408 234.72319 243.66164 257.0 0.00389 234.69041 244.03320 266.0 0.00376 234.65709 244.48445 245.0 0.00408 234.62325 245.01355 267.0 0.00375 234.58875 245.61874 283.0 0.00353 234.55376 246.29901 257.0 0.00389 234.51822 247.05424 254.0 0.00394 234.48209 247.88524 231.0 0.00433 234.44545 248.79277 279.0 0.00358 234.40822 249.77586 258.0 0.00388 234.37045 250.82938 258.0 0.00388 234.33209 251.94150 268.0 0.00373 234.29323 253.09099 299.0 0.003344 234.25381 254.24500 289.0 0.003460 234.21384 255.35707 283.0 0.00353 234.17326 256.36707 275.0 0.00364 234.13222 257.20419 281.0 0.00356 234.09064 257.79495 295.0 0.003390 234.04848 258.07239 274.0 0.00365 234.00577 257.99417 284.0 0.00352 233.96252 257.55136 264.0 0.00379 233.91881 256.77203 250.0 0.00400 233.87448 255.71498 260.0 0.00385 233.82957 254.45691 239.0 0.00418 233.78426 253.07587 286.0 0.003497 233.73833 251.64650 212.0 0.00472 233.69188 250.22435 267.0 0.00375 233.64494 248.85095 232.0 0.00431 233.59746 247.55417 197.0 0.00508 233.54948 246.35048 230.0 0.00435 233.50092 245.24811 235.0 0.00426 233.45192 244.24936 220.0 0.00455 233.40237 243.35239 207.0 0.00483 233.35226 242.55258 215.0 0.00465 233.30168 241.84326 203.0 0.00493 233.25066 241.21666 202.0 0.00495 233.19904 240.63586 220.0 0.00455 233.14697 240.14957 232.0 0.00431 233.09438 239.71600 235.0 0.00426 233.04132 239.32748 208.0 0.00481 232.98772 238.97536 221.0 0.00452 232.93362 238.65218 199.0 0.00503 232.87909 238.35246 215.0 0.00465 232.82402 238.07246 241.0 0.00415 232.76851 237.81020 214.0 0.00467 232.71246 237.56473 241.0 0.00415 232.65604 237.33597 205.0 0.00488 232.59911 237.12384 222.0 0.00450 232.54166 236.92844 249.0 0.00402 232.48378 236.74940 225.0 0.00444 232.42545 236.58650 236.0 0.00424 232.36665 236.43907 183.0 0.00546 232.30736 236.30661 216.0 0.00463 232.24770 236.18851 201.0 0.00498 232.18755 236.08429 216.0 0.00463 232.12688 235.99344 209.0 0.00478 232.06592 235.91560 242.0 0.00413 232.00444 235.85025 219.0 0.00457 231.94254 235.79749 214.0 0.00467 231.88020 235.75702 233.0 0.00429 231.81747 235.72903 186.0 0.00538 231.75426 235.71361 208.0 0.00481 231.69070 235.71114 211.0 0.00474 231.62677 235.72212 239.0 0.00418 231.56230 235.74719 214.0 0.00467 231.49754 235.78717 228.0 0.00439 231.43228 235.84325 244.0 0.00410 231.36676 235.91667 235.0 0.00426 231.30077 236.00890 243.0 0.00412 231.23444 236.12181 229.0 0.00437 231.16771 236.25745 215.0 0.00465 231.10062 236.41827 212.0 0.00472 231.03316 236.60667 228.0 0.00439 230.96530 236.82584 276.0 0.00362 230.89716 237.07898 249.0 0.00402 230.82864 237.36952 235.0 0.00426 230.75978 237.70139 245.0 0.00408 230.69054 238.07858 243.0 0.00412 230.62102 238.50537 225.0 0.00444 230.55115 238.98601 221.0 0.00452 230.48096 239.52504 269.0 0.00372 230.41046 240.12683 218.0 0.00459 230.33965 240.79564 281.0 0.00356 230.26852 241.53539 251.0 0.00398 230.19708 242.34926 239.0 0.00418 230.12546 243.28554 268.0 0.00373 230.05344 244.25458 275.0 0.00364 229.98117 245.29982 266.0 0.00376 229.90866 246.41669 273.0 0.00366 229.83582 247.59595 242.0 0.00413 229.76276 248.82260 269.0 0.00372 229.68941 250.07420 261.0 0.00383 229.61592 251.31992 252.0 0.00397 229.54214 252.51987 272.0 0.00368 229.46808 253.62604 280.0 0.00357 229.39383 254.58476 284.0 0.00352 229.31944 255.34132 313.0 0.003195 229.24474 255.84618 305.0 0.003279 229.16988 256.06207 273.0 0.00366 229.09479 255.97012 267.0 0.00375 229.01959 255.57268 274.0 0.00365 228.94417 254.89375 275.0 0.00364 228.86858 253.97404 264.0 0.00379 228.79285 252.86542 238.0 0.00420 228.71695 251.62303 284.0 0.00352 228.64088 250.30020 268.0 0.00373 228.56473 248.94388 230.0 0.00435 228.48840 247.59259 258.0 0.00388 228.41197 246.27605 290.0 0.003448 228.33540 245.01585 202.0 0.00495 228.25882 243.82698 244.0 0.00410 228.18210 242.71860 277.0 0.00361 228.10526 241.69614 254.0 0.00394 228.02840 240.76210 206.0 0.00485 227.95140 239.91701 268.0 0.00373 227.87440 239.16025 212.0 0.00472 227.79730 238.49049 242.0 0.00413 227.72026 237.90637 251.0 0.00398 227.64313 237.40623 249.0 0.00402 227.56596 236.98875 210.0 0.00476 227.48880 236.65315 197.0 0.00508 227.41167 236.39862 226.0 0.00442 227.33459 236.22462 258.0 0.00388 227.25740 236.14082 247.0 0.00405 227.18037 236.12779 226.0 0.00442 227.10336 236.19460 203.0 0.00493 227.02635 236.33992 209.0 0.00478 226.94939 236.56192 246.0 0.00407 226.87263 236.85629 230.0 0.00435 226.79587 237.21596 230.0 0.00435 226.71915 237.62949 215.0 0.00465 226.64272 238.07932 229.0 0.00437 226.56627 238.54039 244.0 0.00410 226.48991 238.97951 220.0 0.00455 226.41379 239.35637 225.0 0.00444 226.33781 239.62804 222.0 0.00450 226.26198 239.75577 212.0 0.00472 226.18633 239.71414 192.0 0.00521 226.11095 239.49734 230.0 0.00435 226.03569 239.12097 228.0 0.00439 225.96062 238.61786 199.0 0.00503 225.88577 238.03027 201.0 0.00498 225.81122 237.40089 199.0 0.00503 225.73694 236.76729 256.0 0.00391 225.66287 236.15932 215.0 0.00465 225.58911 235.59822 203.0 0.00493 225.51573 235.09831 182.0 0.00549 225.44254 234.62985 217.0 0.00461 225.36969 234.27408 223.0 0.00448 225.29720 233.99384 240.0 0.00417 225.22502 233.78824 195.0 0.00513 225.15317 233.65475 229.0 0.00437 225.08180 233.58943 279.0 0.00358 225.01077 233.58658 213.0 0.00469 224.94016 233.63902 222.0 0.00450 224.86989 233.73811 235.0 0.00426 224.80022 233.87320 244.0 0.00410 224.73082 234.03163 209.0 0.00478 224.66196 234.19969 234.0 0.00427 224.59355 234.36124 216.0 0.00463 224.52571 234.50009 210.0 0.00476 224.45830 234.59976 233.0 0.00429 224.39143 234.64572 196.0 0.00510 224.32512 234.62624 272.0 0.00368 224.25934 234.53519 231.0 0.00433 224.19414 234.37241 236.0 0.00424 224.12953 234.14389 265.0 0.00377 224.06557 233.86136 223.0 0.00448 224.00218 233.54007 226.0 0.00442 223.93942 233.19746 227.0 0.00441 223.87735 232.85114 255.0 0.00392 223.81595 232.51797 262.0 0.00382 223.75519 232.21320 267.0 0.00375 223.69522 231.95059 237.0 0.00422 223.63588 231.74272 220.0 0.00455 223.57733 231.60124 245.0 0.00408 223.51953 231.53807 277.0 0.00361 223.46249 231.56586 281.0 0.00356 223.40630 231.69881 266.0 0.00376 223.35089 231.95258 285.0 0.00351 223.29628 232.34332 294.0 0.003401 223.24257 232.88506 271.0 0.00369 223.18973 233.58670 303.0 0.003300 223.13774 234.44832 326.0 0.003067 223.08661 235.45654 312.0 0.003205 223.03650 236.57916 352.0 0.002841 222.98730 237.75803 339.0 0.002950 222.93907 238.90182 308.0 0.003247 222.89183 239.88449 317.0 0.003155 222.84560 240.55811 305.0 0.003279 222.80038 240.78806 298.0 0.003356 222.75620 240.50117 279.0 0.00358 222.71309 239.71692 254.0 0.00394 222.67105 238.53815 272.0 0.00368 222.63013 237.10854 263.0 0.00380 222.59036 235.56744 280.0 0.00357 222.55179 234.02495 224.0 0.00446 222.51431 232.55594 264.0 0.00379 222.47801 231.20627 265.0 0.00377 222.44302 229.91844 257.0 0.00389 222.40919 228.86418 250.0 0.00400 222.37666 227.96001 210.0 0.00476 222.34540 227.19470 194.0 0.00515 222.31543 226.55525 238.0 0.00420 222.28682 226.02531 226.0 0.00442 222.25954 225.58809 214.0 0.00467 222.23364 225.22742 210.0 0.00476 222.20912 224.92860 207.0 0.00483 222.18604 224.67920 200.0 0.00500 222.16441 224.46881 214.0 0.00467 222.14427 224.28922 224.0 0.00446 222.12558 224.13383 225.0 0.00444 222.10841 223.99799 203.0 0.00493 222.09285 223.87793 229.0 0.00437 222.07877 223.77098 224.0 0.00446 222.06633 223.67523 220.0 0.00455 222.05553 223.58908 179.0 0.00559 222.04634 223.51143 190.0 0.00526 222.03883 223.44136 198.0 0.00505 222.03304 223.37819 194.0 0.00515 222.02893 223.32130 228.0 0.00439 222.02657 223.27036 239.0 0.00418 222.02603 223.22476 238.0 0.00420 222.02728 223.18433 243.0 0.00412 222.03033 223.14879 197.0 0.00508 222.03526 223.11775 188.0 0.00532 222.04205 223.09106 214.0 0.00467 222.05081 223.06857 234.0 0.00427 222.06146 223.05019 213.0 0.00469 222.07408 223.03564 199.0 0.00503 222.08871 223.02484 245.0 0.00408 222.10536 223.01773 224.0 0.00446 222.12411 223.01418 198.0 0.00505 222.14490 223.01418 240.0 0.00417 222.16782 223.01765 207.0 0.00483 222.19284 223.02444 214.0 0.00467 222.22006 223.03464 214.0 0.00467 222.24951 223.04811 222.0 0.00450 222.28119 223.06487 227.0 0.00441 222.31509 223.08492 232.0 0.00431 222.35136 223.10822 224.0 0.00446 222.38985 223.13480 235.0 0.00426 222.43077 223.16454 182.0 0.00549 222.47404 223.19757 206.0 0.00485 222.51982 223.23383 209.0 0.00478 222.56798 223.27335 214.0 0.00467 222.61859 223.31610 223.0 0.00448 222.67178 223.36221 265.0 0.00377 222.72754 223.41159 191.0 0.00524 222.78580 223.46428 238.0 0.00420 222.84677 223.52042 193.0 0.00518 222.91037 223.57985 207.0 0.00483 222.97664 223.64285 196.0 0.00510 223.04553 223.70920 216.0 0.00463 223.11728 223.77910 189.0 0.00529 223.19182 223.85268 198.0 0.00505 223.26915 223.92976 235.0 0.00426 223.34938 224.01056 240.0 0.00417 223.43248 224.09518 189.0 0.00529 223.51854 224.18367 213.0 0.00469 223.60748 224.27588 177.0 0.00565 223.69948 224.37225 192.0 0.00521 223.79456 224.47269 204.0 0.00490 223.89259 224.57719 143.0 0.00699 223.99384 224.68611 197.0 0.00508 224.09828 224.79916 221.0 0.00452 224.20584 224.91702 236.0 0.00424 224.31653 225.03952 246.0 0.00407 224.43062 225.16701 205.0 0.00488 224.54799 225.29956 221.0 0.00452 224.66870 225.43741 233.0 0.00429 224.79274 225.58076 201.0 0.00498 224.92021 225.72998 244.0 0.00410 225.05122 225.88553 256.0 0.00391 225.18561 226.04753 204.0 0.00490 225.32361 226.21674 213.0 0.00469 225.46523 226.39357 226.0 0.00442 225.61046 226.57867 172.0 0.00581 225.75923 226.77278 250.0 0.00400 225.91180 226.97691 238.0 0.00420 226.06816 227.08488 192.0 0.00521 226.22815 227.31311 247.0 0.00405 226.39215 227.55478 231.0 0.00433 226.55995 227.81133 237.0 0.00422 226.73170 228.08420 255.0 0.00392 226.90727 228.37505 232.0 0.00431 227.08701 228.68584 240.0 0.00417 227.27074 229.01831 233.0 0.00429 227.45842 229.37411 232.0 0.00431 227.65044 229.75520 238.0 0.00420 227.84662 230.16319 234.0 0.00427 228.04700 230.59917 264.0 0.00379 228.25153 231.06378 273.0 0.00366 228.46053 231.55737 318.0 0.003145 228.67389 232.07851 240.0 0.00417 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204.0 . . . 116.0 . . . 187.0 . . . 165.0 . . . 160.0 . . . 187.0 . . . 277.0 . . . 164.0 . . . 191.0 . . . 179.0 . . . 191.0 . . . 189.0 . . . 220.0 . . . 209.0 . . . 223.0 . . . 219.0 . . . 234.0 . . . 202.0 . . . 236.0 . . . 208.0 . . . 244.0 . . . 226.0 . . . 177.0 . . . 226.0 . . . 188.0 . . . 164.0 . . . 195.0 . . . 236.0 . . . 237.0 . . . 226.0 . . . 144.0 . . . 151.0 . . . 215.0 . . . 184.0 . . . 137.0 . . . 253.0 . . . 143.0 . . . 212.0 . . . 226.0 . . . 235.0 . . . 229.0 . . . 186.0 . . . 210.0 . . . 189.0 . . . 200.0 . . . 191.0 . . . 214.0 . . . 217.0 . . . 195.0 . . . 173.0 . . . 150.0 . . . 173.0 . . . 208.0 . . . 226.0 . . . 210.0 . . . 209.0 . . . 198.0 . . . 185.0 . . . 174.0 . . . 237.0 . . . 239.0 . . . 237.0 . . . 167.0 . . . 170.0 . . . 206.0 . . . 216.0 . . . 204.0 . . . 197.0 . . . 194.0 . . . 225.0 . . . 189.0 . . . 181.0 . . . 185.0 . . . 206.0 . . . 225.0 . . . 247.0 . . . 214.0 . . . 207.0 . . . 198.0 . . . 252.0 . . . 240.0 . . . 196.0 . . . 301.0 . . . 248.0 . . . 171.0 . . . 225.0 . . . 233.0 . . . 205.0 . . . 143.0 . . . 226.0 . . . 201.0 . . . 187.0 . . . 195.0 . . . 213.0 . . . 160.0 . . . 242.0 . . . 206.0 . . . 180.0 . . . 220.0 . . . 228.0 . . . 219.0 . . . 201.0 . . . 224.0 . . . 216.0 . . . 225.0 . . . 211.0 . . . 186.0 . . . 213.0 . . . 209.0 . . . 211.0 . . . 188.0 . . . 246.0 . . . 196.0 . . . 298.0 . . . 212.0 . . . 288.0 . . . 213.0 . . . 251.0 . . . 186.0 . . . 213.0 . . . 261.0 . . . 251.0 . . . 258.0 . . . 208.0 . . . 231.0 . . . 157.0 . . . 239.0 . . . 175.0 . . . 178.0 . . . 202.0 . . . 165.0 . . . 199.0 . . . 157.0 . . . 206.0 . . . 219.0 . . . 161.0 . . . 168.0 . . . 172.0 . . . 138.0 . . . 177.0 . . . 133.0 . . . 208.0 . . . 173.0 . . . 178.0 . . . 204.0 . . . 158.0 . . . 144.0 . . . 176.0 . . . 236.0 . . . 180.0 . . . 209.0 . . . 173.0 . . . 212.0 . . . 201.0 . . . 221.0 . . . 174.0 . . . 193.0 . . . 221.0 . . . 159.0 . . . 196.0 . . . 156.0 . . . 239.0 . . . 188.0 . . . 241.0 . . . 224.0 . . . 191.0 . . . 186.0 . . . 100.0 . . . 187.0 . . . 157.0 . . . 158.0 . . . 183.0 . . . 169.0 . . . 175.0 . . . 211.0 . . . 184.0 . . . 166.0 . . . 238.0 . . . 192.0 . . . 209.0 . . . 200.0 . . . 228.0 . . . 175.0 . . . 143.0 . . . 198.0 . . . 156.0 . . . 278.0 . . . 186.0 . . . 195.0 . . . 189.0 . . . 161.0 . . . 212.0 . . . 220.0 . . . 152.0 . . . 137.0 . . . 231.0 . . . 247.0 . . . 186.0 . . . 256.0 . . . 229.0 . . . 190.0 . . . 152.0 . . . 182.0 . . . 232.0 . . . 202.0 . . . 162.0 . . . 224.0 . . . 218.0 . . . 208.0 . . . 180.0 . . . 188.0 . . . 193.0 . . . 196.0 . . . 225.0 . . . 197.0 . . . 253.0 . . . 210.0 . . . 295.0 . . . 190.0 . . . 200.0 . . . 225.0 . . . 254.0 . . . 299.0 . . . 225.0 . . . 260.0 . . . 219.0 . . . 272.0 . . . 209.0 . . . 237.0 . . . 220.0 . . . 215.0 . . . 211.0 . . . 210.0 . . . 237.0 . . . 245.0 . . . 212.0 . . . 218.0 . . . 223.0 . . . 248.0 . . . 219.0 . . . 233.0 . . . 182.0 . . . 230.0 . . . 207.0 . . . 176.0 . . . 250.0 . . . 270.0 . . . 288.0 . . . 226.0 . . . 205.0 . . . 235.0 . . . 235.0 . . . 251.0 . . . 256.0 . . . 252.0 . . . 226.0 . . . 253.0 . . . 234.0 . . . 215.0 . . . 272.0 . . . 216.0 . . . 251.0 . . . 281.0 . . . 318.0 . . . 248.0 . . . 298.0 . . . 224.0 . . . 235.0 . . . 265.0 . . . 181.0 . . . 295.0 . . . 220.0 . . . 216.0 . . . 253.0 . . . 249.0 . . . 211.0 . . . 229.0 . . . 172.0 . . . 189.0 . . . 248.0 . . . 186.0 . . . 235.0 . . . 216.0 . . . 196.0 . . . 199.0 . . . 172.0 . . . 253.0 . . . 197.0 . . . 162.0 . . . 308.0 . . . 163.0 . . . 238.0 . . . 190.0 . . . 231.0 . . . 205.0 . . . 166.0 . . . 189.0 . . . 209.0 . . . 214.0 . . . 211.0 . . . 208.0 . . . 216.0 . . . 183.0 . . . 150.0 . . . 202.0 . . . 286.0 . . . 233.0 . . . 228.0 . . . 207.0 . . . 154.0 . . . 189.0 . . . 248.0 . . . 214.0 . . . 216.0 . . . 205.0 . . . 164.0 . . . 199.0 . . . 224.0 . . . 214.0 . . . 171.0 . . . 160.0 . . . 193.0 . . . 275.0 . . . 193.0 . . . 171.0 . . . 173.0 . . . 177.0 . . . 215.0 . . . 177.0 . . . 199.0 . . . 204.0 . . . 286.0 . . . 267.0 . . . 226.0 . . . 241.0 . . . 304.0 . . . 236.0 . . . 246.0 . . . 293.0 . . . 334.0 . . . 276.0 . . . 261.0 . . . 258.0 . . . 266.0 . . . 281.0 . . . 210.0 . . . 202.0 . . . 226.0 . . . 241.0 . . . 206.0 . . . 280.0 . . . 298.0 . . . 210.0 . . . 233.0 . . . 235.0 . . . 229.0 . . . 166.0 . . . 290.0 . . . 220.0 . . . 243.0 . . . 231.0 . . . 195.0 . . . 280.0 . . . 236.0 . . . 223.0 . . . 257.0 . . . 172.0 . . . 220.0 . . . 171.0 . . . 248.0 . . . 275.0 . . . 167.0 . . . 222.0 . . . 289.0 . . . 263.0 . . . 187.0 . . . 169.0 . . . 215.0 . . . 217.0 . . . 236.0 . . . 198.0 . . . 202.0 . . . 210.0 . . . 227.0 . . . 278.0 . . . 173.0 . . . 188.0 . . . 138.0 . . . 244.0 . . . 236.0 . . . 232.0 . . . 223.0 . . . 230.0 . . . 186.0 . . . 207.0 . . . 167.0 . . . 213.0 . . . 212.0 . . . 212.0 . . . 259.0 . . . 268.0 . . . 293.0 . . . 164.0 . . . 149.0 . . . 180.0 . . . 279.0 . . . 186.0 . . . 207.0 . . . 248.0 . . . 217.0 . . . 204.0 . . . 198.0 . . . 189.0 . . . 186.0 . . . 209.0 . . . 235.0 . . . 204.0 . . . 225.0 . . . 205.0 . . . 216.0 . . . 195.0 . . . 191.0 . . . 223.0 . . . 185.0 . . . 190.0 . . . 258.0 . . . 230.0 . . . 223.0 . . . 189.0 . . . 192.0 . . . 155.0 . . . 211.0 . . . 194.0 . . . 207.0 . . . 183.0 . . . 110.0 . . . 217.0 . . . 188.0 . . . 228.0 . . . 218.0 . . . 155.0 . . . 150.0 . . . 300.0 . . . 177.0 . . . 174.0 . . . 140.0 . . . 203.0 . . . 185.0 . . . 122.0 . . . 151.0 . . . 237.0 . . . 197.0 . . . 175.0 . . . 207.0 . . . 188.0 . . . 251.0 . . . 239.0 . . . 165.0 . . . 143.0 . . . 153.0 . . . 187.0 . . . 207.0 . . . 184.0 . . . 214.0 . . . 179.0 . . . 216.0 . . . 192.0 . . . 154.0 . . . 221.0 . . . 204.0 . . . 206.0 . . . 213.0 . . . 172.0 . . . 205.0 . . . 165.0 . . . 212.0 . . . 161.0 . . . 156.0 . . . 162.0 . . . 174.0 . . . 168.0 . . . 200.0 . . . 247.0 . . . 175.0 . . . 152.0 . . . 175.0 . . . 232.0 . . . 150.0 . . . 138.0 . . . 170.0 . . . 174.0 . . . 177.0 . . . 144.0 . . . 179.0 . . . 175.0 . . . 226.0 . . . 117.0 . . . 203.0 . . . 181.0 . . . 228.0 . . . 225.0 . . . 193.0 . . . 283.0 . . . 129.0 . . . 202.0 . . . 235.0 . . . 214.0 . . . 281.0 . . . 250.0 . . . 208.0 . . . 234.0 . . . 161.0 . . . 202.0 . . . 199.0 . . . 185.0 . . . 174.0 . . . 223.0 . . . 214.0 . . . 214.0 . . . 180.0 . . . 208.0 . . . 284.0 . . . 158.0 . . . 233.0 . . . 149.0 . . . 190.0 . . . 191.0 . . . 200.0 . . . 136.0 . . . 199.0 . . . 156.0 . . . 177.0 . . . 192.0 . . . 148.0 . . . 193.0 . . . 206.0 . . . 196.0 . . . 136.0 . . . 205.0 . . . 172.0 . . . 207.0 . . . 244.0 . . . 192.0 . . . 214.0 . . . 171.0 . . . 178.0 . . . 198.0 . . . 150.0 . . . 199.0 . . . 219.0 . . . 202.0 . . . 190.0 . . . 180.0 . . . 133.0 . . . 169.0 . . . 240.0 . . . 249.0 . . . 243.0 . . . 173.0 . . . 240.0 . . . 153.0 . . . 192.0 . . . 203.0 . . . 189.0 . . . 210.0 . . . 146.0 . . . 193.0 . . . 263.0 . . . 215.0 . . . 190.0 . . . 186.0 . . . 256.0 . . . 173.0 . . . 194.0 . . . 201.0 . . . 193.0 . . . 218.0 . . . 210.0 . . . 214.0 . . . 189.0 . . . 174.0 . . . 166.0 . . . 208.0 . . . 151.0 . . . 223.0 . . . 292.0 . . . 112.0 . . . 214.0 . . . 221.0 . . . 203.0 . . . 225.0 . . . 184.0 . . . 144.0 . . . 164.0 . . . 263.0 . . . 146.0 . . . 181.0 . . . 161.0 . . . 228.0 . . . 234.0 . . . 174.0 . . . 270.0 . . . 165.0 . . . 238.0 . . . 180.0 . . . 192.0 . . . 157.0 . . . 218.0 . . . 278.0 . . . 158.0 . . . 104.0 . . . 248.0 . . . 186.0 . . . 202.0 . . . 232.0 . . . 251.0 . . . 179.0 . . . 239.0 . . . 261.0 . . . 228.0 . . . 190.0 . . . 182.0 . . . 208.0 . . . 236.0 . . . 251.0 . . . 241.0 . . . 326.0 . . . 278.0 . . . 265.0 . . . 278.0 . . . 271.0 . . . 265.0 . . . 223.0 . . . 315.0 . . . 247.0 . . . 183.0 . . . 179.0 . . . 206.0 . . . 248.0 . . . 202.0 . . . 200.0 . . . 123.0 . . . 215.0 . . . 288.0 . . . 353.0 . . . 245.0 . . . 220.0 . . . 261.0 . . . 183.0 . . . 192.0 . . . 240.0 . . . 306.0 . . . 313.0 . . . 320.0 . . . 224.0 . . . 168.0 . . . 225.0 . . . 245.0 . . . 265.0 . . . 215.0 . . . 286.0 . . . 220.0 . . . 232.0 . . . 249.0 . . . 236.0 . . . 224.0 . . . 178.0 . . . 287.0 . . . 267.0 . . . 219.0 . . . 224.0 . . . 211.0 . . . 212.0 . . . 232.0 . . . 202.0 . . . 251.0 . . . 186.0 . . . 201.0 . . . 210.0 . . . 109.0 . . . 184.0 . . . 129.0 . . . 167.0 . . . 266.0 . . . 177.0 . . . 179.0 . . . 260.0 . . . 202.0 . . . 169.0 . . . 253.0 . . . 181.0 . . . 218.0 . . . 272.0 . . . 185.0 . . . 202.0 . . . 168.0 . . . 259.0 . . . 199.0 . . . 193.0 . . . 177.0 . . . 170.0 . . . 126.0 . . . 188.0 . . . 253.0 . . . 220.0 . . . 198.0 . . . 198.0 . . . 190.0 . . . 218.0 . . . 233.0 . . . 183.0 . . . 122.0 . . . 181.0 . . . 159.0 . . . 232.0 . . . 213.0 . . . 160.0 . . . 218.0 . . . 178.0 . . . 210.0 . . . 191.0 . . . 171.0 . . . 184.0 . . . 164.0 . . . 152.0 . . . 227.0 . . . 160.0 . . . 140.0 . . . 165.0 . . . 152.0 . . . 217.0 . . . 214.0 . . . 225.0 . . . 321.0 . . . 155.0 . . . 264.0 . . . 143.0 . . . 212.0 . . . 241.0 . . . 176.0 . . . 286.0 . . . 264.0 . . . 259.0 . . . 181.0 . . . 215.0 . . . 192.0 . . . 221.0 . . . 202.0 . . . 109.0 . . . 184.0 . . . 113.0 . . . 238.0 . . . 171.0 . . . 141.0 . . . 147.0 . . . 188.0 . . . 207.0 . . . 175.0 . . . 199.0 . . . 128.0 . . . 230.0 . . . 241.0 . . . 221.0 . . . 95.0 . . . 151.0 . . . 200.0 . . . 225.0 . . . 217.0 . . . 160.0 . . . 174.0 . . . 162.0 . . . 167.0 . . . 150.0 . . . 243.0 . . . 113.0 . . . 175.0 . . . 104.0 . . . 152.0 . . . 179.0 . . . 261.0 . . . 298.0 . . . 117.0 . . . 176.0 . . . 158.0 . . . 207.0 . . . 225.0 . . . 250.0 . . . 185.0 . . . 199.0 . . . 126.0 . . . 243.0 . . . 225.0 . . . 156.0 . . . 313.0 . . . 242.0 . . . 243.0 . . . 282.0 . . . 209.0 . . . 257.0 . . . 201.0 . . . 231.0 . . . 201.0 . . . 113.0 . . . 185.0 . . . 161.0 . . . 109.0 . . . 215.0 . . . 196.0 . . . 200.0 . . . 342.0 . . . 255.0 . . . 140.0 . . . 175.0 . . . 211.0 . . . 258.0 . . . 257.0 . . . 181.0 . . . 202.0 . . . 235.0 . . . 141.0 . . . 220.0 . . . 264.0 . . . 260.0 . . . 114.0 . . . 245.0 . . . 151.0 . . . 191.0 . . . 241.0 . . . 174.0 . . . 274.0 . . . 157.0 . . . 152.0 . . . 188.0 . . . 246.0 . . . 270.0 . . . 225.0 . . . 161.0 . . . 187.0 . . . 295.0 . . . 130.0 . . . 217.0 . . . 258.0 . . . 171.0 . . . 325.0 . . . 255.0 . . . 103.0 . . . 223.0 . . . 157.0 . . . 151.0 . . . 321.0 . . . 201.0 . . . 214.0 . . . 309.0 . . . 289.0 . . . 194.0 . . . 238.0 . . . 296.0 . . . 323.0 . . . 147.0 . . . 189.0 . . . 220.0 . . . 210.0 . . . 235.0 . . . 234.0 . . . 153.0 . . . 200.0 . . . 140.0 . . . 216.0 . . . 201.0 . . . 160.0 . . . 219.0 . . . 215.0 . . . 153.0 . . . 173.0 . . . 259.0 . . . 181.0 . . . 164.0 . . . 189.0 . . . 257.0 . . . 250.0 . . . 188.0 . . . 219.0 . . . 196.0 . . . 236.0 . . . 138.0 . . . 126.0 . . . 278.0 . . . 196.0 . . . 317.0 . . . 206.0 . . . 151.0 . . . 254.0 . . . 148.0 . . . 240.0 . . . 279.0 . . . 140.0 . . . 245.0 . . . 196.0 . . . 237.0 . . . 176.0 . . . 216.0 . . . 204.0 . . . 152.0 . . . 202.0 . . . 170.0 . . . 160.0 . . . 167.0 . . . 259.0 . . . 240.0 . . . 195.0 . . . 187.0 . . . 194.0 . . . 177.0 . . . 268.0 . . . 202.0 . . . 82.0 . . . 282.0 . . . 257.0 . . . 252.0 . . . 282.0 . . . 158.0 . . . 289.0 . . . 173.0 . . . 179.0 . . . 268.0 . . . 235.0 . . . 200.0 . . . 274.0 . . . 208.0 . . . 186.0 . . . 170.0 . . . 170.0 . . . 132.0 . . . 176.0 . . . 179.0 . . . 203.0 . . . 159.0 . . . 303.0 . . . 194.0 . . . 297.0 . . . 213.0 . . . 169.0 . . . 162.0 . . . 186.0 . . . 189.0 . . . 193.0 . . . 117.0 . . . 122.0 . . . 158.0 . . . 266.0 . . . 186.0 . . . 155.0 . . . 163.0 . . . 184.0 . . . 233.0 . . . 233.0 . . . 154.0 . . . 201.0 . . . 154.0 . . . 194.0 . . . 161.0 . . . 115.0 . . . 233.0 . . . 215.0 . . . 217.0 . . . 235.0 . . . 141.0 . . . 187.0 . . . 166.0 . . . 180.0 . . . 218.0 . . . 198.0 . . . 138.0 . . . 169.0 . . . 268.0 . . . 133.0 . . . 195.0 . . . 112.0 . . . 212.0 . . . 201.0 . . . 242.0 . . . 188.0 . . . 194.0 . . . 119.0 . . . 233.0 . . . 170.0 . . . 59.0 . . . 226.0 . . . 137.0 . . . 189.0 . . . 249.0 . . . 273.0 . . . 166.0 . . . 161.0 . . . 211.0 . . . 184.0 . . . 152.0 . . . 180.0 . . . 126.0 . . . 255.0 . . . 169.0 . . . 153.0 . . . 246.0 . . . 231.0 . . . 295.0 . . . 294.0 . . . 254.0 . . . 233.0 . . . 215.0 . . . 210.0 . . . 220.0 . . . 191.0 . . . 205.0 . . . 153.0 . . . 197.0 . . . 230.0 . . . 192.0 . . . 240.0 . . . 220.0 . . . 199.0 . . . 210.0 . . . 161.0 . . . 259.0 . . . 177.0 . . . 251.0 . . . 234.0 . . . 255.0 . . . 329.0 . . . 152.0 . . . 287.0 . . . 348.0 . . . 169.0 . . . 214.0 . . . 264.0 . . . 199.0 . . . 191.0 . . . 130.0 . . . 228.0 . . . 142.0 . . . 186.0 . . . 297.0 . . . 192.0 . . . 225.0 . . . 186.0 . . . 154.0 . . . 250.0 . . . 167.0 . . . 221.0 . . . 244.0 . . . 224.0 . . . 203.0 . . . 230.0 . . . 229.0 . . . 276.0 . . . 250.0 . . . 271.0 . . . 192.0 . . . 185.0 . . . 235.0 . . . 194.0 . . . 229.0 . . . 97.0 . . . 149.0 . . . 272.0 . . . 269.0 . . . 180.0 . . . 264.0 . . . 146.0 . . . 272.0 . . . 213.0 . . . 208.0 . . . 275.0 . . . 236.0 . . . 105.0 . . . 216.0 . . . 259.0 . . . 205.0 . . . 201.0 . . . 129.0 . . . 221.0 . . . 167.0 . . . 160.0 . . . 227.0 . . . 144.0 . . . 126.0 . . . 166.0 . . . 251.0 . . . 329.0 . . . 143.0 . . . 264.0 . . . 202.0 . . . 230.0 . . . 123.0 . . . 191.0 . . . 182.0 . . . 97.0 . . . 184.0 . . . 186.0 . . . 234.0 . . . 219.0 . . . 260.0 . . . 225.0 . . . 135.0 . . . 181.0 . . . 163.0 . . . 222.0 . . . 183.0 . . . 209.0 . . . 150.0 . . . 305.0 . . . 164.0 . . . 189.0 . . . 114.0 . . . 211.0 . . . 228.0 . . . 255.0 . . . 175.0 . . . 216.0 . . . 154.0 . . . 187.0 . . . 229.0 . . . 158.0 . . . 214.0 . . . 212.0 . . . 177.0 . . . 173.0 . . . 207.0 . . . 334.0 . . . 243.0 . . . _pd_meas_number_of_points 14793 _pd_proc_number_of_points 14793 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 0 2 o 56.790 25.168 -45.16 8.17026 0.53 2 0 0 o 296.935 412.876 0.00 6.32383 0.51 2 0 1 o 4219.413 916.039 13.88 5.89759 12.04 2 0 2 o 5.029 99.504 176.10 5.00086 0.00 2 0 3 o 8419.046 6692.562 -172.69 4.12702 7.00 0 0 4 o 33300.504 30523.596 -155.34 4.08513 32.06 0 1 0 o 1972.686 19.573 180.00 4.03601 0.69 1 1 0 o 28145.867 19051.102 -180.00 3.84498 21.18 1 1 1 o 12908.245 10035.532 -170.00 3.74277 17.22 0 1 2 o 22772.090 21460.002 -167.16 3.61858 10.06 1 1 2 o 762.253 1617.974 177.93 3.47899 0.73 2 0 4 o 136.557 271.953 169.85 3.43142 0.09 2 1 0 o 1422.550 606.284 0.00 3.40216 0.84 2 1 1 o 92123.21 91779.16 3.44 3.33073 100.00 1 1 3 o 3471.222 2872.501 -165.27 3.14119 2.59 2 1 2 o 822.110 690.226 -159.65 3.14074 0.76 4 0 0 o 216269.67 218152.25 180.00 3.16192 84.81 4 0 1 o 1437.965 924.210 29.68 3.10433 1.10 4 0 2 o 11720.853 11374.104 -172.47 2.94879 7.31 3 1 0 o 12898.278 11866.207 180.00 2.91541 4.25 2 0 5 o 192425.11 193743.67 -154.59 2.90332 92.82 2 1 3 o 55332.01 55938.95 13.99 2.88553 38.14 0 1 4 o 60021.98 51841.31 -154.92 2.87110 19.12 3 1 1 o 1401.837 1178.534 26.54 2.87009 0.92 1 1 4 o 1560.853 189.793 137.96 2.79986 0.97 3 1 2 o 3724.996 3090.571 -175.04 2.74583 2.28 4 0 3 o 1336.686 1684.202 -168.11 2.73456 0.64 0 0 6 o 2782.596 2449.338 -179.37 2.72342 1.09 2 1 4 o -11.367 732.450 10.19 2.61428 0.00 3 1 3 o 5574.348 6158.530 15.99 2.57037 2.91 1 1 5 o 6219.373 6811.760 -160.55 2.49014 3.31 4 0 4 o 40511.25 41639.38 23.00 2.50043 12.76 2 0 6 o 966.835 1012.610 35.21 2.50132 0.38 4 1 0 o 323.891 361.308 -180.00 2.48904 0.06 4 1 1 o 661.612 814.425 -163.14 2.46065 0.28 3 1 4 o 399.156 300.542 40.10 2.37306 0.17 4 1 2 o 17706.396 21970.639 12.20 2.38100 7.07 2 1 5 o 3363.513 1230.773 -120.18 2.35687 1.48 4 0 5 o 2309.754 2613.544 16.73 2.27243 0.52 0 1 6 o 66860.07 75084.38 28.91 2.25753 16.74 4 1 3 o 433.514 657.375 -0.51 2.26386 0.17 1 1 6 o 3812.623 4356.598 32.40 2.22241 1.76 3 1 5 o 5101.009 7693.712 18.41 2.17555 1.75 2 0 7 o 3950.044 2938.165 -149.01 2.18992 1.19 5 1 0 o 8385.841 9487.349 0.00 2.14336 1.15 2 1 6 o 642.883 487.022 -148.95 2.12612 0.24 4 1 4 o 43472.55 33571.902 25.96 2.12557 14.03 5 1 1 o 337.236 270.478 17.09 2.12516 0.09 6 0 0 o 1159.844 1445.235 0.00 2.10794 0.17 6 0 1 o 5818.484 5959.673 -172.68 2.09062 1.63 5 1 2 o 3160.890 1923.207 -3.29 2.07321 0.89 4 0 6 o 3460.409 942.192 -11.34 2.06351 0.56 6 0 2 o 880.673 1142.544 -159.46 2.04111 0.23 0 0 8 o 3944.168 5136.746 -163.63 2.04256 0.71 0 2 0 o 49647.89 62506.53 0.00 2.01801 3.17 1 1 7 o 1559.156 1325.318 -158.06 1.99540 0.60 3 1 6 o 2562.079 1614.605 31.84 1.99016 0.72 5 1 3 o 9003.907 7972.453 13.56 1.99450 2.45 1 2 0 o 28584.031 23181.076 0.00 1.99280 3.82 4 1 5 o 1005.391 655.079 -165.37 1.98014 0.27 1 2 1 o 6119.483 4458.263 7.66 1.97814 1.57 0 2 2 o 787.671 331.770 89.65 1.95913 0.09 6 0 3 o 17173.988 10216.266 9.51 1.96586 3.80 2 0 8 o -15.817 1079.377 -140.49 1.94369 0.00 1 2 2 o 1962.757 3885.594 1.35 1.93604 0.43 2 1 7 o 551.100 1274.945 44.06 1.92483 0.16 2 2 0 o 292.811 857.674 180.00 1.92249 0.04 2 2 1 o 7975.719 14349.758 18.37 1.90932 2.04 5 1 4 o 263.744 253.685 -43.50 1.89798 0.06 4 0 7 o 440.586 1480.176 -140.00 1.87801 0.06 6 0 4 o 697.541 1264.917 -9.89 1.87326 0.13 1 2 3 o 7551.111 11961.607 15.09 1.87148 1.43 2 2 2 o 354.899 577.349 8.52 1.87138 0.09 6 1 0 o 107.685 82.346 180.00 1.86845 0.01 6 1 1 o 50637.92 38213.03 -176.77 1.85636 10.50 4 1 6 o 69974.91 52848.87 -150.84 1.83730 14.83 0 1 8 o 57976.52 58483.51 40.56 1.82247 9.87 3 1 7 o 175.428 173.623 -17.41 1.82221 0.04 0 2 4 o 24199.660 24007.361 -166.20 1.80929 1.84 6 1 2 o 383.157 365.957 48.27 1.82143 0.08 3 2 0 o 17943.879 15188.810 0.00 1.82022 2.17 2 2 3 o 2322.229 1449.096 36.94 1.81288 0.47 3 2 1 o 6283.526 6819.003 -169.03 1.80903 1.49 1 1 8 o 4284.960 4462.189 33.63 1.80384 1.35 1 2 4 o 854.310 416.110 -2.41 1.79106 0.14 5 1 5 o 4857.604 2327.227 19.91 1.79229 0.98 3 2 2 o 5333.470 6456.478 6.54 1.77667 1.14 6 0 5 o 103590.59 108409.22 25.70 1.77142 13.87 6 1 3 o 48827.54 50671.43 -166.19 1.76736 9.70 2 1 8 o 210.743 172.717 29.98 1.75120 0.06 2 2 4 o 176.180 137.720 -172.72 1.73949 0.03 2 0 9 o 59909.34 57826.35 48.76 1.74511 10.64 3 2 3 o 5497.835 7576.474 -163.24 1.72638 1.01 4 0 8 o 10846.267 4320.839 15.14 1.71571 1.08 4 1 7 o 614.504 748.045 51.59 1.70270 0.11 1 2 5 o 9068.199 10754.982 20.47 1.70143 1.19 4 2 0 o 52560.31 59949.13 -180.00 1.70108 4.91 6 1 4 o 601.669 780.289 178.93 1.69916 0.11 4 2 1 o 157.872 178.816 22.64 1.69194 0.03 5 1 6 o 2594.444 4115.837 -145.98 1.68430 0.42 3 1 8 o 6976.830 6289.679 34.08 1.67285 1.33 3 2 4 o 66.922 32.029 -155.18 1.66264 0.01 6 0 6 o 2495.582 1105.236 -132.78 1.66695 0.25 4 2 2 o 891.586 322.995 -54.16 1.66537 0.15 2 2 5 o 66525.28 57311.71 -150.44 1.65704 8.94 7 1 0 o 5716.704 5366.084 0.00 1.64910 0.44 1 1 9 o 1289.331 1870.969 49.68 1.64178 0.32 7 1 1 o 713.647 1105.653 -151.33 1.64077 0.11 0 2 6 o 3899.830 2897.133 63.50 1.62140 0.21 4 2 3 o 353.873 211.826 -161.21 1.62374 0.06 6 1 5 o 3954.003 2681.577 41.77 1.62207 0.61 0 0 10 o 68195.87 76924.63 -128.53 1.63405 6.22 1 2 6 o 7297.383 10279.564 -151.46 1.60823 0.80 7 1 2 o 3032.907 2385.970 8.45 1.61650 0.46 2 1 9 o 16085.610 14696.884 60.54 1.60179 3.33 3 2 5 o 13030.657 13790.906 -160.38 1.59021 1.67 4 1 8 o 68293.59 57709.40 -139.83 1.57897 9.41 5 1 7 o 1556.851 1313.225 27.46 1.57880 0.20 7 1 3 o 3982.866 3431.804 -163.41 1.57835 0.58 5 2 0 o 16088.024 13645.165 -180.00 1.57751 1.06 2 0 10 o 938.135 705.491 38.30 1.58209 0.13 8 0 0 o 122836.88 105924.13 0.00 1.58096 7.14 2 2 6 o 13.229 12.019 53.52 1.57059 0.00 4 2 4 o 22052.482 20942.121 13.71 1.57037 2.90 4 0 9 o 787.770 515.058 14.78 1.57450 0.06 5 2 1 o 1900.245 1910.463 -177.96 1.57021 0.24 6 0 7 o 6282.639 4423.911 30.92 1.56448 0.46 8 0 1 o 619.422 424.747 -63.10 1.57361 0.07 5 2 2 o 4422.921 4817.382 179.44 1.54890 0.54 8 0 2 o 10630.307 8428.378 7.27 1.55217 1.15 3 1 9 o 471.739 355.563 -111.91 1.54118 0.07 6 1 6 o 981.786 762.822 35.71 1.54071 0.13 7 1 4 o 717.108 211.486 -156.00 1.52920 0.10 1 2 7 o 655.224 1038.706 20.21 1.51563 0.06 3 2 6 o 3170.693 5349.002 -153.64 1.51333 0.32 8 0 3 o 62.789 51.385 2.60 1.51830 0.01 5 2 3 o 7771.076 12376.217 -166.46 1.51524 0.88 0 1 10 o 1468.016 2329.661 -96.11 1.51462 0.15 4 2 5 o 36.430 121.180 15.11 1.50891 0.00 1 1 10 o 22.799 2984.523 37.28 1.50388 0.00 2 2 7 o 5.360 498.159 -65.62 1.48401 0.00 5 1 8 o 1086.982 3396.916 -146.53 1.47866 0.11 2 1 10 o 93.464 70.793 -155.32 1.47296 0.02 7 1 5 o 6958.011 4855.959 -162.35 1.47228 0.79 5 2 4 o 403.269 273.104 153.54 1.47160 0.04 8 0 4 o 32668.008 27550.004 -157.76 1.47440 2.74 6 0 8 o 983.055 605.111 45.08 1.46688 0.05 4 1 9 o 912.439 563.719 -151.76 1.46684 0.10 8 1 0 o 3997.452 2408.751 0.00 1.47205 0.23 6 1 7 o 6650.286 2489.334 -141.38 1.45872 0.66 8 1 1 o 537.395 287.145 38.07 1.46611 0.06 6 2 0 o 615.551 190.210 0.00 1.45770 0.03 6 2 1 o 22780.018 13479.665 -163.35 1.45194 1.96 4 0 10 o 110973.93 66497.33 51.88 1.45166 6.99 8 1 2 o 30867.031 20584.176 -168.36 1.44873 3.36 4 2 6 o 1657.745 3700.151 -123.82 1.44276 0.14 0 2 8 o 3575.216 4618.497 50.73 1.43555 0.15 3 2 7 o 399.930 495.682 -178.43 1.43542 0.03 2 0 11 o 22781.320 11855.171 38.18 1.44614 2.23 1 2 8 o 5670.583 8986.229 -144.17 1.42639 0.44 6 2 2 o 118.296 110.253 -176.34 1.43504 0.01 3 1 10 o 1597.142 1750.342 39.47 1.42542 0.19 8 0 5 o 778.201 642.140 -173.93 1.42318 0.05 5 2 5 o 5686.735 5344.989 -157.89 1.42066 0.48 8 1 3 o 174.738 124.144 136.24 1.42107 0.02 7 1 6 o 20.575 916.008 -152.34 1.41064 0.00 6 2 3 o 6.089 338.983 -121.94 1.40815 0.00 2 2 8 o -0.372 5.151 -123.82 1.39993 0.00 1 1 11 o 38.945 3353.364 49.38 1.38568 0.00 5 1 9 o 9.135 1274.147 -136.36 1.38538 0.00 8 1 4 o 12808.238 14598.683 -152.54 1.38488 1.18 4 2 7 o 94.276 59.524 -149.14 1.37478 0.01 6 1 8 o 240.351 276.294 -153.75 1.37865 0.02 6 0 9 o 100484.35 53163.41 -132.18 1.37567 3.95 6 2 4 o 56.556 37.661 -60.11 1.37292 0.00 5 2 6 o 10372.852 8435.953 30.79 1.36504 0.74 8 0 6 o 321.613 224.291 131.87 1.36728 0.02 4 1 10 o 4657.407 3515.699 73.36 1.36599 0.41 3 2 8 o 12454.351 12184.915 -144.13 1.35893 0.83 2 1 11 o 57148.68 39413.02 -127.26 1.36139 6.98 0 0 12 o 191.778 121.524 -29.05 1.36171 0.01 7 1 7 o 709.068 393.475 177.16 1.34690 0.05 1 2 9 o 1624.838 1215.784 -136.72 1.34211 0.11 0 3 0 o 56791.79 36829.09 0.00 1.34534 0.86 7 2 0 o 12983.773 6549.726 180.00 1.34610 0.36 8 1 5 o 81.272 53.958 -23.30 1.34218 0.01 4 0 11 o 224.598 176.760 -117.31 1.34451 0.01 1 3 0 o 3735.296 15013.198 -180.00 1.33779 0.11 7 2 1 o 2606.644 1606.919 22.24 1.34156 0.15 1 3 1 o 1344.408 1311.083 174.73 1.33333 0.08 6 2 5 o 38625.10 35798.81 30.29 1.33128 2.40 0 3 2 o 784.185 678.733 -90.00 1.32746 0.02 7 2 2 o 8341.154 6814.045 -170.37 1.32820 0.46 2 2 9 o 18100.463 24270.014 44.27 1.32000 1.09 2 0 12 o 297.976 270.286 -115.43 1.33120 0.02 3 1 11 o 6059.846 5397.838 -128.99 1.32359 0.57 9 1 0 o 2882.763 2464.692 -180.00 1.32715 0.11 1 3 2 o 2293.205 2692.681 -164.70 1.32021 0.12 9 1 1 o 548.866 473.225 -175.77 1.32279 0.04 2 3 0 o 0.269 12.608 180.00 1.31589 0.00 2 3 1 o 3133.483 9990.517 -11.48 1.31164 0.18 4 2 8 o 1953.919 2203.719 -124.39 1.30714 0.11 5 2 7 o 2069.036 2327.766 -149.63 1.30704 0.12 8 0 7 o 237.207 429.242 60.97 1.30900 0.01 7 2 3 o 8353.349 9182.073 17.13 1.30679 0.43 9 1 2 o 406.339 3000.346 179.25 1.30998 0.03 6 1 9 o 15062.622 7870.916 -115.14 1.30211 0.87 5 1 10 o 2188.783 2053.114 -146.86 1.29948 0.13 1 3 3 o 7512.237 7236.709 -170.15 1.29918 0.37 2 3 2 o 1.118 1.099 -0.83 1.29915 0.00 8 1 6 o 39630.52 28085.309 29.48 1.29499 2.62 6 0 10 o 702.799 394.093 -165.49 1.29146 0.02 0 1 12 o 12170.892 4084.845 -124.48 1.29025 0.68 3 2 9 o 1331.549 907.424 53.05 1.28546 0.07 6 2 6 o 29.528 19.541 -77.11 1.28519 0.00 7 1 8 o 8347.726 4987.843 -145.33 1.28311 0.47 9 1 3 o 7893.053 3162.712 -168.10 1.28942 0.55 1 1 12 o 631.504 320.125 -105.93 1.28359 0.07 0 3 4 o 17732.412 21028.387 -144.26 1.27783 0.37 3 3 0 o 11764.094 9748.055 -180.00 1.28166 0.34 2 3 3 o 989.407 795.796 -1.02 1.27909 0.05 7 2 4 o 361.702 281.652 1.78 1.27848 0.02 3 3 1 o 2637.139 2943.210 3.13 1.27774 0.15 4 1 11 o -6.872 279.214 48.68 1.27559 0.00 1 3 4 o 49.784 58.436 -133.79 1.27135 0.00 0 2 10 o 33122.598 32178.018 -120.37 1.26993 0.91 1 2 10 o 4629.991 4838.533 -140.75 1.26357 0.25 3 3 2 o 57.654 4745.531 -163.66 1.26618 0.00 2 1 12 o 24.608 58.875 82.51 1.26421 0.00 9 1 4 o 798.655 259.150 74.92 1.26221 0.05 10 0 0 o -1.819 0.821 0.00 1.26477 0.00 10 0 1 o 22186.316 6555.931 6.67 1.26099 0.96 2 3 4 o -0.004 2.509 117.44 1.25251 0.00 8 0 8 o 24056.682 5311.707 -158.90 1.25021 0.70 4 0 12 o 447.413 74.087 135.99 1.25066 0.02 _reflns_number_total 235 _reflns_limit_h_min 0 _reflns_limit_h_max 10 _reflns_limit_k_min 0 _reflns_limit_k_max 3 _reflns_limit_l_min 0 _reflns_limit_l_max 12 _reflns_d_resolution_high 1.250 _reflns_d_resolution_low 8.170 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#