data_WONG733_publ _pd_block_id 2015-08-17T10:43|WONG733|James_A._Kaduk|d2 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2015-08-17T10:43 _audit_author_name "James A. Kaduk" _audit_update_record ; 2015-08-17T10:43 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 ? # Name of author for correspondence _publ_contact_author_address # Address of author for correspondence ; ? ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_contact_letter ; ? ; _publ_requested_journal ? _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 ; ? ; _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' ; ? ; ; ? ; #============================================================================== # 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 ? # use ICDD colour descriptions _refine_ls_shift/su_max 0.01 _refine_ls_shift/su_mean 0.00 _computing_structure_refinement GSAS _refine_ls_number_parameters 33 _refine_ls_goodness_of_fit_all 1.58 _refine_ls_number_restraints 34 _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 "(Ni0.4 Zn0.6 Co1.0) Nb4 O12" _cell_length_a 14.14373(27) _cell_length_b 5.70857(11) _cell_length_c 5.03537(11) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 406.558(15) _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M "P b c n" 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,-y,+z+1/2 4 -x+1/2,-y+1/2,+z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,-z -3 -x,+y,-z+1/2 -4 +x+1/2,+y+1/2,-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 Ni Ni1 0.0 0.1575(15) 0.25 0.2 Uiso 0.0318(34) 4 Zn Zn2 0.0 0.1575(15) 0.25 0.3 Uiso 0.0318(34) 4 Co Co3 0.0 0.1575(15) 0.25 0.5 Uiso 0.0318(34) 4 Nb Nb4 0.16030(26) 0.3195(5) 0.7449(22) 1.0 Uiso 0.0087(7) 8 O O5 0.1033(10) 0.3642(20) 0.3753(29) 1.0 Uiso 0.039(4) 8 O O6 0.0768(7) 0.0865(19) 0.9316(18) 1.0 Uiso 0.039(4) 8 O O7 0.2659(10) 0.1096(22) 0.5910(32) 1.0 Uiso 0.039(4) 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Co0.25 Nb Ni0.10 O3 Zn0.15" _chemical_formula_weight 171.31 _cell_formula_units_Z 8 # 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 Ni1 O5 1.981(6) . 1_555 N Ni1 O5 1.981(6) . -3_555 N Ni1 O6 1.979(6) . 1_554 N Ni1 O6 1.989(6) . 3_554 N Ni1 O6 1.989(6) . -1_556 N Ni1 O6 1.979(6) . -3_556 N Zn2 Zn2 3.094(10) . 3_554 N Zn2 Zn2 3.094(10) . 3_555 N Zn2 O5 1.981(6) . 1_555 N Zn2 O5 1.981(6) . -3_555 N Zn2 O6 1.979(6) . 1_554 N Zn2 O6 1.989(6) . 3_554 N Zn2 O6 1.989(6) . -1_556 N Zn2 O6 1.979(6) . -3_556 N Co3 O5 1.981(6) . 1_555 N Co3 O5 1.981(6) . -3_555 N Co3 O6 1.979(6) . 1_554 N Co3 O6 1.989(6) . 3_554 N Co3 O6 1.989(6) . -1_556 N Co3 O6 1.979(6) . -3_556 N Nb4 Nb4 3.2538(33) . 3_564 N Nb4 Nb4 3.2538(33) . 3_565 N Nb4 O5 2.044(8) . 1_555 N Nb4 O5 2.084(8) . 3_565 N Nb4 O6 2.012(8) . 1_555 N Nb4 O7 2.066(7) . 1_555 N Nb4 O7 2.105(8) . 2_555 N Nb4 O7 2.071(8) . 4_555 N O5 Ni1 1.981(6) . 1_555 N O5 Zn2 1.981(6) . 1_555 N O5 Co3 1.981(6) . 1_555 N O5 Nb4 2.044(8) . 1_555 N O5 Nb4 2.084(8) . 3_564 N O6 Ni1 1.979(6) . 1_556 N O6 Ni1 1.989(6) . 3_555 N O6 Zn2 1.979(6) . 1_556 N O6 Zn2 1.989(6) . 3_555 N O6 Co3 1.979(6) . 1_556 N O6 Co3 1.989(6) . 3_555 N O6 Nb4 2.012(8) . 1_555 N O7 Nb4 2.066(7) . 1_555 N O7 Nb4 2.105(8) . 2_545 N O7 Nb4 2.071(8) . 4_554 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 O5 Ni1 O5 106.9(10) 1_555 . -3_556 N O5 Ni1 O6 88.6(6) 1_555 . 1_554 N O5 Ni1 O6 82.4(6) 1_555 . 3_554 N O5 Ni1 O6 165.1(7) 1_555 . -1_556 N O5 Ni1 O6 105.6(6) 1_555 . -3_557 N O5 Ni1 O6 105.6(6) -3_556 . 1_554 N O5 Ni1 O6 165.1(7) -3_556 . 3_554 N O5 Ni1 O6 82.4(6) -3_556 . -1_556 N O5 Ni1 O6 88.6(6) -3_556 . -3_557 N O6 Ni1 O6 85.9(4) 1_554 . 3_554 N O6 Ni1 O6 77.5(5) 1_554 . -1_556 N O6 Ni1 O6 156.3(9) 1_554 . -3_557 N O6 Ni1 O6 91.1(10) 3_554 . -1_556 N O6 Ni1 O6 77.5(5) 3_554 . -3_557 N O6 Ni1 O6 85.9(4) -1_556 . -3_557 N O5 Zn2 O5 106.9(10) 1_555 . -3_556 N O5 Zn2 O6 88.6(6) 1_555 . 1_554 N O5 Zn2 O6 82.4(6) 1_555 . 3_554 N O5 Zn2 O6 165.1(7) 1_555 . -1_556 N O5 Zn2 O6 105.6(6) 1_555 . -3_557 N O5 Zn2 O6 105.6(6) -3_556 . 1_554 N O5 Zn2 O6 165.1(7) -3_556 . 3_554 N O5 Zn2 O6 82.4(6) -3_556 . -1_556 N O5 Zn2 O6 88.6(6) -3_556 . -3_557 N O6 Zn2 O6 85.9(4) 1_554 . 3_554 N O6 Zn2 O6 77.5(5) 1_554 . -1_556 N O6 Zn2 O6 156.3(9) 1_554 . -3_557 N O6 Zn2 O6 91.1(10) 3_554 . -1_556 N O6 Zn2 O6 77.5(5) 3_554 . -3_557 N O6 Zn2 O6 85.9(4) -1_556 . -3_557 N O5 Co3 O5 106.9(10) 1_555 . -3_556 N O5 Co3 O6 88.6(6) 1_555 . 1_554 N O5 Co3 O6 82.4(6) 1_555 . 3_554 N O5 Co3 O6 165.1(7) 1_555 . -1_556 N O5 Co3 O6 105.6(6) 1_555 . -3_557 N O5 Co3 O6 105.6(6) -3_556 . 1_554 N O5 Co3 O6 165.1(7) -3_556 . 3_554 N O5 Co3 O6 82.4(6) -3_556 . -1_556 N O5 Co3 O6 88.6(6) -3_556 . -3_557 N O6 Co3 O6 85.9(4) 1_554 . 3_554 N O6 Co3 O6 77.5(5) 1_554 . -1_556 N O6 Co3 O6 156.3(9) 1_554 . -3_557 N O6 Co3 O6 91.1(10) 3_554 . -1_556 N O6 Co3 O6 77.5(5) 3_554 . -3_557 N O6 Co3 O6 85.9(4) -1_556 . -3_557 N O5 Nb4 O5 91.5(4) 1_555 . 3_565 N O5 Nb4 O6 106.1(5) 1_555 . 1_555 N O5 Nb4 O7 90.9(8) 1_555 . 1_555 N O5 Nb4 O7 76.24(31) 1_555 . 2_555 N O5 Nb4 O7 160.1(5) 1_555 . 4_555 N O5 Nb4 O6 101.5(6) 3_565 . 1_555 N O5 Nb4 O7 154.2(6) 3_565 . 1_555 N O5 Nb4 O7 68.0(6) 3_565 . 2_555 N O5 Nb4 O7 76.14(31) 3_565 . 4_555 N O6 Nb4 O7 102.5(4) 1_555 . 1_555 N O6 Nb4 O7 169.4(6) 1_555 . 2_555 N O6 Nb4 O7 91.8(7) 1_555 . 4_555 N O7 Nb4 O7 87.69(30) 1_555 . 2_555 N O7 Nb4 O7 93.71(34) 1_555 . 4_555 N O7 Nb4 O7 84.6(5) 2_555 . 4_555 N Ni1 O5 Zn2 0.0 1_555 . 1_555 N Ni1 O5 Co3 0.0 1_555 . 1_555 N Ni1 O5 Nb4 120.4(5) 1_555 . 1_555 N Ni1 O5 Nb4 134.5(5) 1_555 . 3_564 N Zn2 O5 Co3 0.0 1_555 . 1_555 N Zn2 O5 Nb4 120.4(5) 1_555 . 1_555 N Zn2 O5 Nb4 134.5(5) 1_555 . 3_564 N Co3 O5 Nb4 120.4(5) 1_555 . 1_555 N Co3 O5 Nb4 134.5(5) 1_555 . 3_564 N Nb4 O5 Nb4 104.03(32) 1_555 . 3_564 N Ni1 O6 Ni1 102.5(5) 1_556 . 3_555 N Ni1 O6 Zn2 0.0 1_556 . 1_556 N Ni1 O6 Zn2 102.5(5) 1_556 . 3_555 N Ni1 O6 Co3 0.0 1_556 . 1_556 N Ni1 O6 Co3 102.5(5) 1_556 . 3_555 N Ni1 O6 Nb4 124.4(7) 1_556 . 1_555 N Ni1 O6 Zn2 102.5(5) 3_555 . 1_556 N Ni1 O6 Zn2 0.0 3_555 . 3_555 N Ni1 O6 Co3 102.5(5) 3_555 . 1_556 N Ni1 O6 Co3 0.0 3_555 . 3_555 N Ni1 O6 Nb4 124.7(5) 3_555 . 1_555 N Zn2 O6 Zn2 102.5(5) 1_556 . 3_555 N Zn2 O6 Co3 0.0 1_556 . 1_556 N Zn2 O6 Co3 102.5(5) 1_556 . 3_555 N Zn2 O6 Nb4 124.4(7) 1_556 . 1_555 N Zn2 O6 Co3 102.5(5) 3_555 . 1_556 N Zn2 O6 Co3 0.0 3_555 . 3_555 N Zn2 O6 Nb4 124.7(5) 3_555 . 1_555 N Co3 O6 Co3 102.5(5) 1_556 . 3_555 N Co3 O6 Nb4 124.4(7) 1_556 . 1_555 N Co3 O6 Nb4 124.7(5) 3_555 . 1_555 N Nb4 O7 Nb4 132.6(4) 1_555 . 2_545 N Nb4 O7 Nb4 124.5(4) 1_555 . 4_554 N Nb4 O7 Nb4 102.4(4) 2_545 . 4_554 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 Ni 0.8 0.000 0.000 12.8376 3.87850 7.29200 0.25650 4.44380 12.1763 2.38000 66.3421 1.03410 International_Tables_Vol_C Zn 1.2 0.000 0.000 14.0743 3.26550 7.03180 0.23330 5.16520 10.3163 2.41000 58.7097 1.30410 International_Tables_Vol_C Co 2.0 0.000 0.000 12.2841 4.27910 7.34090 0.27840 4.00340 13.5359 2.34880 71.1692 1.01180 International_Tables_Vol_C Nb 8.0 0.000 0.000 17.6142 1.18865 12.0144 11.7660 4.04183 0.20479 3.53346 69.7957 3.75591 International_Tables_Vol_C O 24.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.5 loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_type _diffrn_radiation_wavelength_id 1.540593 1.000 K\a~1~ 1 1.544451 0.000 K\a~2~ 2 _pd_proc_ls_prof_R_factor 0.0404 _pd_proc_ls_prof_wR_factor 0.0557 _pd_proc_ls_prof_wR_expected 0.0370 _refine_ls_R_Fsqd_factor 0.17185 _pd_proc_ls_background_function ; GSAS Background function number 1 with 9 terms. Shifted Chebyshev function of 1st kind 1: 685.523 2: -90.8478 3: 42.8663 4: -15.3827 5: -0.255387 6: -4.61050 7: 0.265846 8: -2.85844 9: -0.178302 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 3 Surface roughness abs. correction (Suortti) Terms = 0.34000 0.70000 Correction is not refined. ; _exptl_absorpt_correction_T_min 0.51077 _exptl_absorpt_correction_T_max 0.96872 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_ls_profile_function ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 1.949 #2(GV) = 0.000 #3(GW) = 1.735 #4(LX) = 5.761 #5(LY) = 0.757 #6(trns) = 5.141 #7(asym) = 3.0390 #8(shft) = 0.9701 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0020 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_peak_cutoff 0.00200 _pd_proc_info_datetime 2015-08-17T10:43:20 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 4.9976 _pd_meas_2theta_range_max 129.98076 _pd_meas_2theta_range_inc 0.02021 _pd_proc_2theta_range_min 4.9076 _pd_proc_2theta_range_max 129.89076 _pd_proc_2theta_range_inc 0.02021 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 1775.0 . . . 1714.0 . . . 1687.0 . . . 1594.0 . . . 1744.0 . . . 1586.0 . . . 1568.0 . . . 1594.0 . . . 1567.0 . . . 1616.0 . . . 1648.0 . . . 1452.0 . . . 1468.0 . . . 1514.0 . . . 1545.0 . . . 1518.0 . . . 1359.0 . . . 1299.0 . . . 1367.0 . . . 1440.0 . . . 1354.0 . . . 1287.0 . . . 1349.0 . . . 1374.0 . . . 1317.0 . . . 1324.0 . . . 1249.0 . . . 1315.0 . . . 1240.0 . . . 1237.0 . . . 1223.0 . . . 1266.0 . . . 1316.0 . . . 1217.0 . . . 1222.0 . . . 1246.0 . . . 1259.0 . . . 1233.0 . . . 1176.0 . . . 1206.0 . . . 1169.0 . . . 1171.0 . . . 1223.0 . . . 1126.0 . . . 1183.0 . . . 1162.0 . . . 1088.0 . . . 1090.0 . . . 1123.0 . . . 1120.0 . . . 1113.0 . . . 1100.0 . . . 1115.0 . . . 1116.0 . . . 1100.0 . . . 1050.0 . . . 1092.0 . . . 1045.0 . . . 1044.0 . . . 1086.0 . . . 1038.0 . . . 1062.0 . . . 1031.0 . . . 1045.0 . . . 1006.0 . . . 1021.0 . . . 996.0 . . . 988.0 . . . 1013.0 . . . 1016.0 . . . 997.0 . . . 989.0 . . . 995.0 . . . 945.0 . . . 994.0 . . . 1015.0 . . . 968.0 . . . 988.0 . . . 925.0 . . . 947.0 . . . 887.0 . . . 953.0 . . . 928.0 . . . 861.0 . . . 954.0 . . . 910.0 . . . 1016.0 . . . 923.0 . . . 890.0 . . . 950.0 . . . 898.0 . . . 939.0 . . . 868.0 . . . 909.0 . . . 900.0 . . . 887.0 . . . 872.0 . . . 846.0 . . . 869.0 . . . 838.0 . . . 923.0 . . . 930.0 . . . 867.0 . . . 884.0 . . . 907.0 . . . 849.0 . . . 899.0 . . . 868.0 . . . 817.0 . . . 858.0 . . . 794.0 . . . 819.0 . . . 833.0 . . . 804.0 . . . 807.0 . . . 811.0 . . . 802.0 . . . 770.0 . . . 786.0 . . . 824.0 . . . 848.0 . . . 807.0 . . . 815.0 . . . 808.0 . . . 833.0 . . . 820.0 . . . 822.0 . . . 842.0 . . . 878.0 . . . 757.0 . . . 762.0 . . . 775.0 . . . 787.0 . . . 738.0 . . . 751.0 . . . 723.0 . . . 749.0 . . . 847.0 . . . 773.0 . . . 729.0 . . . 755.0 . . . 803.0 . . . 706.0 . . . 781.0 . . . 734.0 . . . 767.0 . . . 777.0 . . . 769.0 . . . 762.0 . . . 747.0 . . . 748.0 . . . 793.0 . . . 704.0 . . . 725.0 . . . 719.0 . . . 762.0 . . . 709.0 . . . 751.0 . . . 739.0 . . . 738.0 . . . 729.0 . . . 707.0 . . . 753.0 . . . 747.0 . . . 724.0 . . . 770.0 . . . 687.0 . . . 704.0 . . . 679.0 . . . 743.0 . . . 673.0 . . . 734.0 . . . 662.0 . . . 731.0 . . . 771.0 . . . 682.0 . . . 723.0 . . . 703.0 . . . 687.0 . . . 701.0 . . . 659.0 . . . 689.0 . . . 702.0 . . . 686.0 . . . 732.0 . . . 723.0 . . . 670.0 . . . 687.0 . . . 613.0 . . . 707.0 . . . 648.0 . . . 691.0 . . . 721.0 . . . 712.0 . . . 706.0 . . . 654.0 . . . 702.0 . . . 758.0 . . . 639.0 . . . 748.0 . . . 724.0 . . . 672.0 . . . 688.0 . . . 719.0 . . . 698.0 . . . 652.0 . . . 703.0 . . . 623.0 . . . 698.0 . . . 652.0 . . . 658.0 . . . 676.0 . . . 663.0 . . . 647.0 . . . 680.0 . . . 630.0 . . . 649.0 . . . 718.0 . . . 683.0 . . . 685.0 . . . 669.0 . . . 600.0 . . . 689.0 . . . 684.0 . . . 659.0 . . . 678.0 . . . 697.0 . . . 644.0 . . . 700.0 . . . 686.0 . . . 694.0 . . . 646.0 . . . 650.0 . . . 693.0 . . . 645.0 . . . 736.0 . . . 685.0 . . . 682.0 . . . 656.0 . . . 622.0 . . . 619.0 . . . 653.0 . . . 675.0 . . . 681.0 . . . 687.0 . . . 687.0 . . . 664.0 . . . 653.0 . . . 703.0 . . . 664.0 . . . 652.0 . . . 635.0 . . . 643.0 . . . 687.0 . . . 685.0 . . . 615.0 . . . 633.0 . . . 657.0 . . . 679.0 . . . 693.0 . . . 668.0 . . . 683.0 . . . 689.0 . . . 706.0 . . . 655.0 . . . 727.0 . . . 722.0 . . . 716.0 . . . 743.0 . . . 737.0 . . . 701.0 . . . 684.0 . . . 699.0 . . . 721.0 . . . 743.0 . . . 746.0 . . . 764.0 . . . 718.0 . . . 689.0 . . . 764.0 . . . 736.0 . . . 721.0 . . . 703.0 . . . 712.0 . . . 712.0 . . . 702.0 . . . 723.0 . . . 720.0 . . . 686.0 . . . 761.0 . . . 743.0 . . . 786.0 . . . 760.0 . . . 750.0 . . . 756.0 . . . 764.0 . . . 774.0 . . . 713.0 . . . 743.0 . . . 759.0 . . . 784.0 . . . 746.0 . . . 718.0 . . . 711.0 . . . 749.0 . . . 765.0 . . . 759.0 . . . 727.0 . . . 736.0 . . . 751.0 . . . 806.0 . . . 791.0 . . . 752.0 . . . 773.0 . . . 768.0 . . . 762.0 . . . 721.0 . . . 732.0 . . . 787.0 . . . 743.0 . . . 753.0 . . . 757.0 . . . 761.0 . . . 737.0 . . . 721.0 . . . 687.0 . . . 738.0 . . . 788.0 . . . 790.0 . . . 711.0 . . . 728.0 . . . 726.0 . . . 749.0 . . . 780.0 . . . 764.0 . . . 805.0 . . . 762.0 . . . 753.0 . . . 729.0 . . . 721.0 . . . 788.0 . . . 782.0 . . . 738.0 . . . 787.0 . . . 770.0 . . . 787.0 . . . 737.0 . . . 768.0 0.001302 841.92096 843.81195 752.0 0.001330 841.69830 843.74536 705.0 0.001418 841.47614 843.69934 761.0 0.001314 841.25439 843.67786 717.0 0.001395 841.03302 843.68542 715.0 0.001399 840.81207 843.72778 801.0 0.001248 840.59155 843.81226 753.0 0.001328 840.37146 843.94818 768.0 0.001302 840.15173 844.14813 770.0 0.001299 839.93243 844.42828 779.0 0.001284 839.71356 844.81030 757.0 0.001321 839.49506 845.32489 821.0 0.001218 839.27704 846.01440 826.0 0.001211 839.05939 846.94086 789.0 0.001267 838.84210 848.19757 772.0 0.001295 838.62524 849.93054 760.0 0.001316 838.40881 852.38861 741.0 0.001350 838.19281 856.04999 746.0 0.001340 837.97711 861.93701 778.0 0.001285 837.76190 872.15442 816.0 0.001225 837.54706 890.24408 802.0 0.001247 837.33264 918.78540 905.0 0.001105 837.11859 957.11334 888.0 0.001126 836.90497 1003.51135 995.0 0.001005 836.69171 1039.26465 1112.0 0.000899 836.47888 1073.82971 1245.0 0.000803 836.26642 1109.04211 1204.0 0.000831 836.05438 1131.31348 1230.0 0.000813 835.84271 1111.00891 1121.0 0.000892 835.63147 1045.23218 1184.0 0.000845 835.42059 971.89563 978.0 0.001022 835.21008 916.21606 994.0 0.001006 835.00000 884.54785 858.0 0.001166 834.79028 867.83411 809.0 0.001236 834.58099 858.47150 762.0 0.001312 834.37207 852.61188 823.0 0.001215 834.16351 848.59222 787.0 0.001271 833.95538 845.66821 844.0 0.001185 833.74762 843.45264 770.0 0.001299 833.54022 841.71716 820.0 0.001220 833.33319 840.31940 853.0 0.001172 833.12659 839.16663 848.0 0.001179 832.92041 838.19562 852.0 0.001174 832.71454 837.36243 815.0 0.001227 832.50903 836.63605 869.0 0.001151 832.30396 835.99347 860.0 0.001163 832.09924 835.41772 909.0 0.001100 831.89490 834.89594 824.0 0.001214 831.69098 834.41821 881.0 0.001135 831.48737 833.97693 846.0 0.001182 831.28418 833.56586 884.0 0.001131 831.08136 833.18024 891.0 0.001122 830.87891 832.81628 900.0 0.001111 830.67682 832.47070 889.0 0.001125 830.47510 832.14081 829.0 0.001206 830.27374 831.82477 841.0 0.001189 830.07275 831.52051 899.0 0.001112 829.87219 831.22662 833.0 0.001200 829.67194 830.94183 817.0 0.001224 829.47211 830.66522 867.0 0.001153 829.27258 830.39563 874.0 0.001144 829.07343 830.13251 822.0 0.001217 828.87469 829.87506 853.0 0.001172 828.67627 829.62268 877.0 0.001140 828.47827 829.37500 834.0 0.001199 828.28058 829.13147 876.0 0.001142 828.08325 828.89172 818.0 0.001222 827.88635 828.65552 828.0 0.001208 827.68976 828.42242 888.0 0.001126 827.49347 828.19220 860.0 0.001163 827.29767 827.96466 852.0 0.001174 827.10211 827.73969 849.0 0.001178 826.90698 827.51691 834.0 0.001199 826.71222 827.29626 864.0 0.001157 826.51776 827.07758 851.0 0.001175 826.32367 826.86078 880.0 0.001136 826.12994 826.64563 880.0 0.001136 825.93652 826.43207 879.0 0.001138 825.74353 826.22009 863.0 0.001159 825.55084 826.00952 869.0 0.001151 825.35852 825.80023 900.0 0.001111 825.16656 825.59229 921.0 0.001086 824.97498 825.38556 832.0 0.001202 824.78369 824.92078 824.0 0.001214 824.59277 824.72504 802.0 0.001247 824.40222 824.40302 860.0 0.001163 824.21198 824.21277 851.0 0.001175 824.02209 824.02289 858.0 0.001166 823.83252 823.83331 896.0 0.001116 823.64331 823.64410 882.0 0.001134 823.45453 823.45526 900.0 0.001111 823.26599 823.26678 792.0 0.001263 823.07782 823.07855 848.0 0.001179 822.89001 822.89075 833.0 0.001200 822.70251 822.70325 855.0 0.001170 822.51538 822.51611 846.0 0.001182 822.32861 822.32928 855.0 0.001170 822.14209 822.14282 822.0 0.001217 821.95599 821.95667 833.0 0.001200 821.77020 821.77087 834.0 0.001199 821.58472 821.58545 829.0 0.001206 821.39966 821.40033 849.0 0.001178 821.21484 821.21552 819.0 0.001221 821.03033 821.03107 839.0 0.001192 820.84625 820.84692 851.0 0.001175 820.66248 820.66315 859.0 0.001164 820.47900 820.47968 843.0 0.001186 820.29590 820.29657 827.0 0.001209 820.11310 820.11377 844.0 0.001185 819.93060 819.93127 841.0 0.001189 819.74847 819.74915 844.0 0.001185 819.56665 819.56732 826.0 0.001211 819.38519 819.38580 839.0 0.001192 819.20404 819.20465 818.0 0.001222 819.02319 819.02380 838.0 0.001193 818.84271 818.84332 843.0 0.001186 818.66254 818.66315 798.0 0.001253 818.48267 818.48328 893.0 0.001120 818.30310 818.30371 842.0 0.001188 818.12390 818.12451 826.0 0.001211 817.94501 817.94556 863.0 0.001159 817.76642 817.76697 856.0 0.001168 817.58820 817.58875 821.0 0.001218 817.41028 817.41083 789.0 0.001267 817.23260 817.23315 839.0 0.001192 817.05530 817.05585 847.0 0.001181 816.87830 816.87885 813.0 0.001230 816.70166 816.70221 848.0 0.001179 816.52533 816.52588 859.0 0.001164 816.34930 816.34979 796.0 0.001256 816.17358 816.17407 840.0 0.001190 815.99817 815.99866 825.0 0.001212 815.82306 815.82355 801.0 0.001248 815.64825 815.64874 830.0 0.001205 815.47375 815.47430 841.0 0.001189 815.29962 815.30011 767.0 0.001304 815.12573 815.12622 829.0 0.001206 814.95221 814.95270 818.0 0.001222 814.77893 814.77942 803.0 0.001245 814.60602 814.60651 863.0 0.001159 814.43341 814.43390 821.0 0.001218 814.26105 814.26154 843.0 0.001186 814.08905 814.08954 832.0 0.001202 813.91736 813.91779 856.0 0.001168 813.74591 813.74640 790.0 0.001266 813.57483 813.57526 781.0 0.001280 813.40405 813.40448 811.0 0.001233 813.23352 813.23395 813.0 0.001230 813.06329 813.06378 835.0 0.001198 812.89343 812.89386 921.0 0.001086 812.72382 812.72424 801.0 0.001248 812.55450 812.55493 895.0 0.001117 812.38550 812.38593 810.0 0.001235 812.21680 812.21722 860.0 0.001163 812.04840 812.04883 866.0 0.001155 811.88031 811.88068 863.0 0.001159 811.71246 811.71289 898.0 0.001114 811.54498 811.54535 860.0 0.001163 811.37775 811.37811 884.0 0.001131 811.21082 811.21118 813.0 0.001230 811.04413 811.04456 855.0 0.001170 810.87781 810.87817 828.0 0.001208 810.71173 810.71210 809.0 0.001236 810.54596 810.54633 840.0 0.001190 810.38049 810.38086 879.0 0.001138 810.21533 810.21564 837.0 0.001195 810.05042 810.05072 869.0 0.001151 809.88580 809.88611 856.0 0.001168 809.72144 809.72180 835.0 0.001198 809.55743 809.55780 872.0 0.001147 809.39368 809.39398 885.0 0.001130 809.23022 809.23053 889.0 0.001125 809.06702 809.06732 894.0 0.001119 808.90411 808.90442 748.0 0.001337 808.74152 808.74182 847.0 0.001181 808.57916 808.57953 845.0 0.001183 808.41711 808.41742 851.0 0.001175 808.25537 808.25568 834.0 0.001199 808.09387 808.09418 851.0 0.001175 807.93262 807.93292 849.0 0.001178 807.77173 807.78003 836.0 0.001196 807.61108 807.61963 818.0 0.001222 807.45068 807.46356 821.0 0.001218 807.29059 807.30396 849.0 0.001178 807.13074 807.14465 910.0 0.001099 806.97125 806.98566 817.0 0.001224 806.81195 806.82697 825.0 0.001212 806.65295 806.66852 860.0 0.001163 806.49426 806.51050 803.0 0.001245 806.33575 806.35266 842.0 0.001188 806.17761 806.19525 811.0 0.001233 806.01971 806.03815 791.0 0.001264 805.86206 805.88129 841.0 0.001189 805.70471 805.72485 819.0 0.001221 805.54761 805.56873 821.0 0.001218 805.39081 805.41296 809.0 0.001236 805.23425 805.25751 821.0 0.001218 805.07800 805.10242 874.0 0.001144 804.92200 804.94769 757.0 0.001321 804.76617 804.79340 805.0 0.001242 804.61072 804.63940 799.0 0.001252 804.45551 804.48584 794.0 0.001259 804.30054 804.33270 828.0 0.001208 804.14587 804.17999 807.0 0.001239 803.99146 804.02777 787.0 0.001271 803.83728 803.87598 801.0 0.001248 803.68341 803.72473 801.0 0.001248 803.52979 803.57404 820.0 0.001220 803.37634 803.42395 811.0 0.001233 803.22327 803.27435 764.0 0.001309 803.07037 803.12555 816.0 0.001225 802.91779 802.97748 838.0 0.001193 802.76550 802.83032 782.0 0.001279 802.61340 802.68414 847.0 0.001181 802.46155 802.53894 796.0 0.001256 802.31000 802.39508 817.0 0.001224 802.15869 802.25269 862.0 0.001160 802.00763 802.11200 797.0 0.001255 801.85681 801.97345 801.0 0.001248 801.70630 801.83740 858.0 0.001166 801.55603 801.70459 787.0 0.001271 801.40601 801.57587 822.0 0.001217 801.25616 801.45239 824.0 0.001214 801.10663 801.33575 822.0 0.001217 800.95740 801.22876 769.0 0.001300 800.80835 801.13513 842.0 0.001188 800.65955 801.06128 777.0 0.001287 800.51105 801.01843 833.0 0.001200 800.36273 801.02960 797.0 0.001255 800.21472 801.14417 857.0 0.001167 800.06696 801.45746 818.0 0.001222 799.91937 802.10632 803.0 0.001245 799.77209 803.12439 883.0 0.001133 799.62506 804.56720 863.0 0.001159 799.47827 806.32257 834.0 0.001199 799.33173 807.52856 896.0 0.001116 799.18536 808.38763 931.0 0.001074 799.03937 807.64502 880.0 0.001136 798.89349 805.65155 878.0 0.001139 798.74792 803.57086 871.0 0.001148 798.60260 801.61243 845.0 0.001183 798.45746 800.27155 847.0 0.001181 798.31262 799.47388 799.0 0.001252 798.16797 798.97736 805.0 0.001242 798.02362 798.62701 784.0 0.001276 797.87946 798.34937 809.0 0.001236 797.73560 798.11261 847.0 0.001181 797.59192 797.90131 755.0 0.001325 797.44849 797.70709 773.0 0.001294 797.30530 797.52472 867.0 0.001153 797.16235 797.35095 774.0 0.001292 797.01959 797.18359 784.0 0.001276 796.87714 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641.44971 648.0 0.001543 634.10852 641.35730 654.0 0.001529 634.09070 641.39783 657.0 0.001522 634.07269 641.59955 670.0 0.001493 634.05457 642.04584 623.0 0.001605 634.03632 642.72571 605.0 0.001653 634.01788 643.74622 674.0 0.001484 633.99933 645.17395 675.0 0.001481 633.98065 647.03302 647.0 0.001546 633.96179 649.22943 673.0 0.001486 633.94281 651.41174 661.0 0.001513 633.92371 652.89050 654.0 0.001529 633.90442 652.97083 646.0 0.001548 633.88501 651.60565 652.0 0.001534 633.86542 649.44458 671.0 0.001490 633.84570 647.20020 669.0 0.001495 633.82587 645.15112 675.0 0.001481 633.80585 643.64331 662.0 0.001511 633.78564 642.54956 652.0 0.001534 633.76532 641.80762 661.0 0.001513 633.74487 641.30695 682.0 0.001466 633.72424 641.06897 627.0 0.001595 633.70349 641.00928 598.0 0.001672 633.68256 641.10486 645.0 0.001550 633.66150 641.35315 642.0 0.001558 633.64032 641.76892 665.0 0.001504 633.61890 642.38025 624.0 0.001603 633.59735 643.22559 617.0 0.001621 633.57568 644.48608 611.0 0.001637 633.55383 645.89594 637.0 0.001570 633.53186 647.56146 655.0 0.001527 633.50970 649.32550 688.0 0.001453 633.48737 650.95197 669.0 0.001495 633.46490 652.14069 680.0 0.001471 633.44232 652.96051 654.0 0.001529 633.41956 653.71472 683.0 0.001464 633.39661 654.62061 678.0 0.001475 633.37347 655.59680 664.0 0.001506 633.35022 656.37384 665.0 0.001504 633.32678 656.86401 603.0 0.001658 633.30322 657.24408 672.0 0.001488 633.27948 658.20093 654.0 0.001529 633.25555 659.97321 628.0 0.001592 633.23151 663.04706 662.0 0.001511 633.20728 667.80359 631.0 0.001585 633.18286 674.79987 670.0 0.001493 633.15833 684.80981 739.0 0.001353 633.13361 698.63513 722.0 0.001385 633.10870 717.00549 726.0 0.001377 633.08368 740.19012 777.0 0.001287 633.05841 767.04187 813.0 0.001230 633.03302 793.50873 848.0 0.001179 633.00751 812.02191 805.0 0.001242 632.98175 815.46259 788.0 0.001269 632.95587 803.88635 753.0 0.001328 632.92975 784.14551 757.0 0.001321 632.90356 762.44434 696.0 0.001437 632.87714 741.88452 728.0 0.001374 632.85052 722.99664 688.0 0.001453 632.82379 706.32410 714.0 0.001401 632.79688 692.38690 621.0 0.001610 632.76978 681.31818 659.0 0.001517 632.74249 672.86377 686.0 0.001458 632.71509 666.59991 621.0 0.001610 632.68744 662.07019 622.0 0.001608 632.65961 658.82477 701.0 0.001427 632.63165 656.68542 650.0 0.001538 632.60352 655.39575 647.0 0.001546 632.57520 654.85217 639.0 0.001565 632.54669 655.04279 656.0 0.001524 632.51801 656.05066 719.0 0.001391 632.48914 658.05774 657.0 0.001522 632.46008 661.34979 627.0 0.001595 632.43085 666.28979 679.0 0.001473 632.40149 673.27332 685.0 0.001460 632.37189 682.61517 646.0 0.001548 632.34210 694.29816 727.0 0.001376 632.31213 707.44983 712.0 0.001404 632.28204 719.59790 690.0 0.001449 632.25171 726.79321 719.0 0.001391 632.22119 726.20740 683.0 0.001464 632.19049 718.70575 740.0 0.001351 632.15961 708.05267 697.0 0.001435 632.12854 696.97906 649.0 0.001541 632.09735 686.53986 685.0 0.001460 632.06586 677.05096 623.0 0.001605 632.03424 668.87799 630.0 0.001587 632.00244 662.27954 607.0 0.001647 631.97040 657.23682 687.0 0.001456 631.93823 653.53894 677.0 0.001477 631.90582 650.93085 615.0 0.001626 631.87323 649.19470 667.0 0.001499 631.84052 648.17529 661.0 0.001513 631.80750 647.78003 615.0 0.001626 631.77435 648.07788 667.0 0.001499 631.74103 648.85413 630.0 0.001587 631.70746 650.27118 610.0 0.001639 631.67377 652.40387 649.0 0.001541 631.63977 655.25513 648.0 0.001543 631.60565 658.58746 691.0 0.001447 631.57135 661.70752 697.0 0.001435 631.53680 663.46521 670.0 0.001493 631.50208 662.93823 639.0 0.001565 631.46716 660.31659 622.0 0.001608 631.43201 656.68512 651.0 0.001536 631.39667 653.07495 634.0 0.001577 631.36115 650.02557 612.0 0.001634 631.32544 647.69775 630.0 0.001587 631.28949 646.08795 607.0 0.001647 631.25336 645.04742 665.0 0.001504 631.21704 644.54449 679.0 0.001473 631.18048 644.48187 664.0 0.001506 631.14374 644.81897 634.0 0.001577 631.10675 645.55920 651.0 0.001536 631.06958 646.76154 651.0 0.001536 631.03223 648.55035 627.0 0.001595 630.99463 651.25104 673.0 0.001486 630.95685 654.92200 623.0 0.001605 630.91888 660.06085 630.0 0.001587 630.88068 667.11102 695.0 0.001439 630.84222 676.48694 682.0 0.001466 630.80365 688.41406 732.0 0.001366 630.76477 702.55786 750.0 0.001333 630.72571 717.40125 735.0 0.001361 630.68646 729.39661 695.0 0.001439 630.64697 734.34851 731.0 0.001368 630.60730 730.52838 744.0 0.001344 630.56738 720.32916 685.0 0.001460 630.52722 707.54480 702.0 0.001425 630.48688 694.63605 663.0 0.001508 630.44635 682.77863 651.0 0.001536 630.40558 672.57861 631.0 0.001585 630.36456 664.33734 671.0 0.001490 630.32336 657.99524 617.0 0.001621 630.28192 653.26971 681.0 0.001468 630.24030 649.80511 680.0 0.001471 630.19836 647.31042 679.0 0.001473 630.15631 645.52942 653.0 0.001531 630.11395 644.28595 616.0 0.001623 630.07141 643.46375 671.0 0.001490 630.02863 642.99646 625.0 0.001600 629.98566 642.86047 639.0 0.001565 629.94244 643.07355 645.0 0.001550 629.89899 643.69666 648.0 0.001543 629.85529 644.89728 662.0 0.001511 629.81140 646.71228 627.0 0.001595 629.76727 649.39478 640.0 0.001563 629.72290 653.15253 696.0 0.001437 629.67834 658.15210 659.0 0.001517 629.63348 664.40063 609.0 0.001642 629.58844 671.25226 668.0 0.001497 629.54315 677.99567 654.0 0.001529 629.49762 682.29828 725.0 0.001379 629.45190 682.25305 655.0 0.001527 629.40594 677.81372 622.0 0.001608 629.35968 670.92621 648.0 0.001543 629.31323 663.61938 664.0 0.001506 629.26654 657.11694 639.0 0.001565 629.21960 651.83948 658.0 0.001520 629.17242 647.78986 647.0 0.001546 629.12506 644.80273 668.0 0.001497 629.07739 642.66602 680.0 0.001471 629.02948 641.17926 635.0 0.001575 628.98138 640.17780 638.0 0.001567 628.93304 639.54297 629.0 0.001590 628.88440 639.19928 633.0 0.001580 628.83557 639.11102 647.0 0.001546 628.78644 639.27710 659.0 0.001517 628.73712 639.72766 641.0 0.001560 628.68750 640.52478 631.0 0.001585 628.63770 641.75769 673.0 0.001486 628.58759 643.53790 637.0 0.001570 628.53729 645.98035 663.0 0.001508 628.48669 649.16937 638.0 0.001567 628.43585 653.08069 693.0 0.001443 628.38477 657.43951 642.0 0.001558 628.33344 661.35382 683.0 0.001464 628.28192 663.92517 670.0 0.001493 628.23004 664.17786 703.0 0.001422 628.17798 662.37103 614.0 0.001629 628.12567 659.63470 657.0 0.001522 628.07306 657.03735 611.0 0.001637 628.02020 655.29364 662.0 0.001511 627.96710 654.77386 610.0 0.001639 627.91376 655.75220 662.0 0.001511 627.86011 658.47278 668.0 0.001497 627.80627 663.09705 713.0 0.001403 627.75214 669.75354 693.0 0.001443 627.69775 678.33289 668.0 0.001497 627.64313 688.13837 672.0 0.001488 627.58820 697.38483 665.0 0.001504 627.53302 703.14954 733.0 0.001364 627.47754 702.92297 644.0 0.001553 627.42188 696.85480 676.0 0.001479 627.36591 687.56213 674.0 0.001484 627.30963 677.85889 696.0 0.001437 627.25317 669.40497 696.0 0.001437 627.19641 662.81689 650.0 0.001538 627.13934 658.13159 633.0 0.001580 627.08203 655.26776 655.0 0.001527 627.02454 653.99713 642.0 0.001558 626.96667 654.14008 677.0 0.001477 626.90857 655.55023 668.0 0.001497 626.85016 658.06976 673.0 0.001486 626.79150 661.44183 671.0 0.001490 626.73260 665.28375 645.0 0.001550 626.67340 669.31543 644.0 0.001553 626.61395 673.78717 693.0 0.001443 626.55414 679.41455 708.0 0.001412 626.49414 686.81616 704.0 0.001420 626.43384 695.91132 728.0 0.001374 626.37323 705.42847 757.0 0.001321 626.31238 712.71692 764.0 0.001309 626.25122 714.97321 668.0 0.001497 626.18982 711.64685 722.0 0.001385 626.12811 705.03717 661.0 0.001513 626.06610 698.17371 685.0 0.001460 626.00385 692.88556 674.0 0.001484 625.94128 689.38214 665.0 0.001504 625.87848 686.55780 648.0 0.001543 625.81537 682.77917 672.0 0.001488 625.75189 677.18445 664.0 0.001506 625.68823 670.17664 653.0 0.001531 625.62427 663.21747 702.0 0.001425 625.56000 656.98553 653.0 0.001531 625.49542 651.78833 683.0 0.001464 625.43060 647.61163 606.0 0.001650 625.36542 644.39886 610.0 0.001639 625.29999 642.00793 655.0 0.001527 625.23425 640.31287 602.0 0.001661 625.16821 639.20795 643.0 0.001555 625.10193 638.62531 675.0 0.001481 625.03534 638.54565 680.0 0.001471 624.96844 639.00250 674.0 0.001484 624.90125 640.07306 638.0 0.001567 624.83374 641.86975 636.0 0.001572 624.76593 644.50946 684.0 0.001462 624.69781 648.07227 695.0 0.001439 624.62939 652.50580 610.0 0.001639 624.56067 657.44141 681.0 0.001468 624.49170 661.94427 674.0 0.001484 624.42236 664.54333 681.0 0.001468 624.35272 664.04742 651.0 0.001536 624.28284 660.59637 657.0 0.001522 624.21259 655.49725 642.0 0.001558 624.14209 650.11377 715.0 0.001399 624.07129 645.23840 702.0 0.001425 624.00012 641.15631 646.0 0.001548 623.92865 637.90167 679.0 0.001473 623.85687 635.39343 695.0 0.001439 623.78485 633.42627 637.0 0.001570 623.71240 632.01392 613.0 0.001631 623.63971 630.94446 625.0 0.001600 623.56671 630.10095 673.0 0.001486 623.49335 629.39478 626.0 0.001597 623.41974 628.77722 673.0 0.001486 623.34576 628.23590 640.0 0.001563 623.27148 627.76123 625.0 0.001600 623.19696 627.35181 676.0 0.001479 623.12201 627.00256 634.0 0.001577 623.04675 626.70636 630.0 0.001587 622.97119 626.45703 629.0 0.001590 622.89532 626.24994 611.0 0.001637 622.81915 626.08124 653.0 0.001531 622.74261 625.95050 661.0 0.001513 622.66571 625.85870 681.0 0.001468 622.58856 625.80969 625.0 0.001600 622.51105 625.81000 579.0 0.001727 622.43323 625.86914 662.0 0.001511 622.35516 625.99902 684.0 0.001462 622.27667 626.21246 630.0 0.001587 622.19781 626.52197 628.0 0.001592 622.11865 626.93311 635.0 0.001575 622.03918 627.43353 627.0 0.001595 621.95941 627.94775 629.0 0.001590 621.87927 628.53845 632.0 0.001582 621.79877 629.19318 634.0 0.001577 621.71796 630.00104 623.0 0.001605 621.63678 631.03955 607.0 0.001647 621.55530 632.30383 679.0 0.001473 621.47351 633.62769 596.0 0.001678 621.39136 634.68726 631.0 0.001585 621.30884 635.15741 604.0 0.001656 621.22601 635.00018 610.0 0.001639 621.14282 634.50751 613.0 0.001631 621.05927 634.02740 626.0 0.001597 620.97540 633.70996 630.0 0.001587 620.89117 633.43811 642.0 0.001558 620.80664 632.80597 671.0 0.001490 620.72168 631.82910 635.0 0.001575 620.63641 630.45258 591.0 0.001692 620.55084 628.92987 666.0 0.001502 620.46490 627.49414 612.0 0.001634 620.37866 626.26520 670.0 0.001493 620.29199 625.27490 613.0 0.001631 620.20496 624.51050 626.0 0.001597 620.11755 623.94464 655.0 0.001527 620.02985 623.54700 608.0 0.001645 619.94183 623.29260 589.0 0.001698 619.85339 623.16058 603.0 0.001658 619.76459 623.13391 639.0 0.001565 619.67542 623.19269 633.0 0.001580 619.58588 623.30804 646.0 0.001548 619.49609 623.41882 577.0 0.001733 619.40582 623.54187 598.0 0.001672 619.31531 623.66583 593.0 0.001686 619.22437 623.84210 601.0 0.001664 619.13306 624.12964 622.0 0.001608 619.04132 624.55560 685.0 0.001460 618.94928 625.08582 646.0 0.001548 618.85693 625.48352 598.0 0.001672 618.76410 625.81262 643.0 0.001555 618.67096 625.83362 659.0 0.001517 618.57745 625.59686 624.0 0.001603 618.48352 625.27118 602.0 0.001661 618.38934 624.99677 620.0 0.001613 618.29468 624.79590 629.0 0.001590 618.19971 624.62762 623.0 0.001605 618.10431 624.22931 638.0 0.001567 618.00854 623.59064 617.0 0.001621 617.91241 622.78278 606.0 0.001650 617.81586 621.93817 616.0 0.001623 617.71906 621.15662 642.0 0.001558 617.62177 620.48499 617.0 0.001621 617.52411 619.96649 646.0 0.001548 617.42603 619.51624 628.0 0.001592 617.32770 619.15430 603.0 0.001658 617.22888 618.86450 628.0 0.001592 617.12976 618.63147 580.0 0.001724 617.03015 618.44226 579.0 0.001727 616.93018 618.28571 610.0 0.001639 616.82983 618.14905 645.0 0.001550 616.72906 618.01691 610.0 0.001639 616.62799 617.87476 578.0 0.001730 616.52649 617.71484 660.0 0.001515 616.42456 617.54138 671.0 0.001490 616.32220 617.36572 629.0 0.001590 616.21948 617.19647 607.0 0.001647 616.11646 616.97644 657.0 0.001522 616.01300 616.83105 599.0 0.001669 615.90918 616.69745 604.0 0.001656 615.80487 616.57422 626.0 0.001597 615.70013 616.46014 631.0 0.001585 615.59503 616.35144 586.0 0.001706 615.48956 616.24713 623.0 0.001605 615.38373 616.14337 642.0 0.001558 615.27740 616.03668 609.0 0.001642 615.17072 615.92657 623.0 0.001605 615.06360 615.81299 593.0 0.001686 614.95612 615.75903 597.0 0.001675 614.84821 615.64630 593.0 0.001686 614.73987 615.53857 569.0 0.001757 614.63116 615.43646 580.0 0.001724 614.52203 615.34070 _pd_meas_number_of_points 6184 _pd_proc_number_of_points 6184 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 2 0 0 1 o 825.830 1301.959 180.00 7.07187 3.10 2 0 0 2 o 1580.014 1301.959 180.00 7.07187 2.31 1 1 0 1 o 1196.021 9.737 180.00 5.29365 2.44 1 1 0 2 o 1016.916 9.737 180.00 5.29365 1.04 1 1 1 1 o 2060.332 1954.164 0.00 3.64844 4.36 1 1 1 2 o 1986.204 1954.164 0.00 3.64844 2.11 3 1 0 1 o 39217.40 39277.13 0.00 3.63513 38.37 3 1 0 2 o 40822.10 39277.13 0.00 3.63513 19.91 4 0 0 1 o 15518.613 9542.092 180.00 3.53593 8.95 4 0 0 2 o 17785.084 9542.092 180.00 3.53593 5.04 2 1 1 1 o 2407.076 68.587 0.00 3.33108 3.47 2 1 1 2 o 2766.207 68.587 0.00 3.33108 1.98 3 1 1 1 o 86269.70 88038.47 180.00 2.94735 100.00 3 1 1 2 o 89470.85 88038.47 180.00 2.94735 51.70 0 2 0 1 o 37666.98 32363.750 180.00 2.85428 10.55 0 2 0 2 o 42723.12 32363.750 180.00 2.85428 5.98 2 2 0 1 o 31.327 1554.500 0.00 2.64683 0.15 2 2 0 2 o -254.292 1554.500 0.00 2.64683 0.00 4 1 1 1 o 86.585 15.176 180.00 2.58106 0.09 4 1 1 2 o 55.575 15.176 180.00 2.58106 0.03 5 1 0 1 o 0.431 14.166 180.00 2.53463 0.03 5 1 0 2 o 0.149 14.166 180.00 2.53463 0.02 0 0 2 1 o 79939.16 83706.19 180.00 2.51768 12.72 0 0 2 2 o 92007.31 83706.19 180.00 2.51768 7.35 0 2 1 1 o 44415.70 40936.43 180.00 2.48310 17.28 1 0 2 1 o 158.056 136.589 180.00 2.47872 0.05 0 2 1 2 o 45585.18 40936.43 180.00 2.48310 8.84 1 0 2 2 o 158.005 136.589 180.00 2.47872 0.03 1 2 1 1 o 10.586 18.463 180.00 2.44569 0.01 1 2 1 2 o 24.395 18.463 180.00 2.44569 0.01 2 0 2 1 o 411.261 673.839 0.00 2.37186 0.28 2 0 2 2 o 454.847 673.839 0.00 2.37186 0.15 6 0 0 1 o 50761.14 49006.70 0.00 2.35729 11.44 6 0 0 2 o 54626.28 49006.70 0.00 2.35729 6.16 2 2 1 1 o 15.626 22.381 0.00 2.34287 0.10 2 2 1 2 o 3.415 22.381 0.00 2.34287 0.05 1 1 2 1 o -87.926 871.882 0.00 2.27364 0.11 1 1 2 2 o -98.402 871.882 0.00 2.27364 0.05 5 1 1 1 o -215.044 178.373 0.00 2.26398 0.00 5 1 1 2 o 13.077 178.373 0.00 2.26398 0.09 4 2 0 1 o 4812.258 5187.394 0.00 2.22098 2.04 3 0 2 1 o 7463.825 7920.141 0.00 2.22085 2.31 4 2 0 2 o 5978.192 5187.394 0.00 2.22098 1.24 3 0 2 2 o 9044.146 7920.141 0.00 2.22085 1.39 3 2 1 1 o 9436.219 6334.453 180.00 2.19700 6.70 3 2 1 2 o 9537.505 6334.453 180.00 2.19700 3.37 2 1 2 1 o 99.022 53.187 0.00 2.19032 0.06 2 1 2 2 o 426.087 53.187 0.00 2.19032 0.12 3 1 2 1 o 16395.152 17299.883 180.00 2.06974 8.32 3 1 2 2 o 17742.291 17299.883 180.00 2.06974 4.50 4 0 2 1 o 5561.758 6337.567 0.00 2.05091 1.88 4 0 2 2 o 5515.914 6337.567 0.00 2.05091 0.93 4 2 1 1 o 1768.041 1511.325 0.00 2.03209 1.45 4 2 1 2 o 1562.317 1511.325 0.00 2.03209 0.66 6 1 1 1 o 611.966 694.571 180.00 1.99966 0.41 6 1 1 2 o 814.670 694.571 180.00 1.99966 0.27 4 1 2 1 o 2026.061 25.435 180.00 1.93013 1.01 4 1 2 2 o 2012.879 25.435 180.00 1.93013 0.50 7 1 0 1 o 2482.442 1421.488 180.00 1.90474 0.88 7 1 0 2 o 1210.732 1421.488 180.00 1.90474 0.24 0 2 2 1 o 32929.355 32724.531 0.00 1.88812 7.16 1 3 0 1 o 4615.101 4682.773 0.00 1.88587 1.49 0 2 2 2 o 31138.033 32724.531 0.00 1.88812 3.36 1 3 0 2 o 4909.928 4682.773 0.00 1.88587 0.78 5 0 2 1 o 4.077 3.893 0.00 1.88067 0.00 5 0 2 2 o 2.849 3.893 0.00 1.88067 0.00 1 2 2 1 o 26.165 26.190 0.00 1.87152 0.01 1 2 2 2 o 0.182 26.190 0.00 1.87152 0.00 5 2 1 1 o -1.839 163.904 0.00 1.86612 0.00 5 2 1 2 o 414.342 163.904 0.00 1.86612 0.11 2 2 2 1 o 707.715 1002.710 180.00 1.82422 0.38 2 2 2 2 o 825.425 1002.710 180.00 1.82422 0.22 6 2 0 1 o 29968.148 31201.059 180.00 1.81757 7.92 6 2 0 2 o 33862.207 31201.059 180.00 1.81757 4.47 5 1 2 1 o 383.804 470.719 180.00 1.78623 0.11 5 1 2 2 o 408.090 470.719 180.00 1.78623 0.06 7 1 1 1 o 6358.563 8183.718 0.00 1.78154 3.92 7 1 1 2 o 7391.703 8183.718 0.00 1.78154 2.22 8 0 0 1 o 767.580 953.121 0.00 1.76797 0.05 1 3 1 1 o 1454.234 1618.817 180.00 1.76607 0.61 3 3 0 1 o 77599.39 78993.71 180.00 1.76455 17.44 8 0 0 2 o 963.045 953.121 0.00 1.76797 0.04 1 3 1 2 o 1775.070 1618.817 180.00 1.76607 0.37 3 3 0 2 o 81984.70 78993.71 180.00 1.76455 9.19 3 2 2 1 o 134.006 132.771 0.00 1.75278 0.06 3 2 2 2 o 236.046 132.771 0.00 1.75278 0.05 2 3 1 1 o 182.503 229.524 180.00 1.72616 0.08 2 3 1 2 o 191.009 229.524 180.00 1.72616 0.04 6 0 2 1 o 76756.55 85892.57 180.00 1.72077 15.70 6 0 2 2 o 76517.83 85892.57 180.00 1.72077 7.78 6 2 1 1 o 57666.55 61227.73 180.00 1.70960 25.39 6 2 1 2 o 64188.48 61227.73 180.00 1.70960 14.14 4 2 2 1 o 6093.825 3767.364 180.00 1.66554 2.45 3 3 1 1 o 4124.375 2643.941 0.00 1.66526 1.73 4 2 2 2 o 6279.353 3767.364 180.00 1.66554 1.25 3 3 1 2 o 4413.945 2643.941 0.00 1.66526 0.92 6 1 2 1 o 1015.883 533.427 0.00 1.64754 0.41 6 1 2 2 o 2647.633 533.427 0.00 1.64754 0.52 8 1 1 1 o 245.599 120.745 0.00 1.60117 0.11 1 1 3 1 o 5526.364 2611.368 180.00 1.59996 1.77 8 1 1 2 o 175.081 120.745 0.00 1.60117 0.04 1 1 3 2 o 4285.631 2611.368 180.00 1.59996 0.70 4 3 1 1 o -1.524 48.031 180.00 1.58991 0.00 4 3 1 2 o -1.524 48.031 180.00 1.58991 0.00 5 3 0 1 o 50.026 44.158 180.00 1.57887 0.00 7 0 2 1 o 999.681 388.185 180.00 1.57582 0.19 5 3 0 2 o 44.858 44.158 180.00 1.57887 0.00 7 0 2 2 o 970.568 388.185 180.00 1.57582 0.09 5 2 2 1 o 36.858 33.430 180.00 1.57042 0.01 2 1 3 1 o 741.812 884.041 180.00 1.57010 0.21 7 2 1 1 o -0.459 4.781 0.00 1.56723 0.00 5 2 2 2 o 22.648 33.430 180.00 1.57042 0.00 2 1 3 2 o 967.206 884.041 180.00 1.57010 0.14 7 2 1 2 o 32.551 4.781 0.00 1.56723 0.01 3 1 3 1 o 62177.46 53867.23 0.00 1.52386 16.49 3 1 3 2 o 65838.80 53867.23 0.00 1.52386 8.70 7 1 2 1 o 719.846 522.843 0.00 1.51901 0.31 7 1 2 2 o 723.509 522.843 0.00 1.51901 0.15 9 1 0 1 o 7254.374 5722.978 0.00 1.51516 1.35 9 1 0 2 o 5572.562 5722.978 0.00 1.51516 0.50 1 3 2 1 o 2002.682 2322.135 180.00 1.50938 0.81 5 3 1 1 o 789.377 814.697 180.00 1.50655 0.25 1 3 2 2 o 1681.775 2322.135 180.00 1.50938 0.35 8 2 0 1 o 2.901 3.171 180.00 1.50300 0.00 5 3 1 2 o 406.441 814.697 180.00 1.50655 0.06 8 2 0 2 o 2.580 3.171 180.00 1.50300 0.00 2 3 2 1 o 11.355 9.039 0.00 1.48424 0.00 2 3 2 2 o 10.394 9.039 0.00 1.48424 0.00 6 2 2 1 o 21871.967 17966.715 0.00 1.47367 6.71 6 2 2 2 o 23034.650 17966.715 0.00 1.47367 3.52 4 1 3 1 o 11.595 17.622 0.00 1.46548 0.00 4 1 3 2 o 25.986 17.622 0.00 1.46548 0.00 9 1 1 1 o 50378.39 49130.55 180.00 1.45090 17.18 9 1 1 2 o 44717.65 49130.55 180.00 1.45090 7.54 8 0 2 1 o 270.323 280.768 180.00 1.44686 0.02 0 2 3 1 o 53562.21 58731.06 0.00 1.44684 6.35 3 3 2 1 o 48382.07 53832.83 0.00 1.44499 13.09 8 0 2 2 o 267.419 280.768 180.00 1.44686 0.01 0 2 3 2 o 52029.54 58731.06 0.00 1.44684 3.07 3 3 2 2 o 45300.64 53832.83 0.00 1.44499 6.07 8 2 1 1 o 85.351 87.089 180.00 1.44021 0.01 1 2 3 1 o 198.113 231.154 0.00 1.43933 0.05 8 2 1 2 o 81.145 87.089 180.00 1.44021 0.00 1 2 3 2 o 140.811 231.154 0.00 1.43933 0.02 0 4 0 1 o 10413.376 13103.369 180.00 1.42714 0.72 0 4 0 2 o 16053.683 13103.369 180.00 1.42714 0.57 6 3 1 1 o 429.218 280.657 180.00 1.42051 0.14 2 2 3 1 o 537.867 441.836 180.00 1.41748 0.20 6 3 1 2 o 367.149 280.657 180.00 1.42051 0.06 10 0 0 1 o 11285.534 8068.087 180.00 1.41437 1.10 2 2 3 2 o 656.279 441.836 180.00 1.41748 0.11 10 0 0 2 o 9200.123 8068.087 180.00 1.41437 0.46 8 1 2 1 o 18.328 2.093 180.00 1.40252 0.01 5 1 3 1 o 672.836 225.331 180.00 1.39943 0.22 8 1 2 2 o 7.668 2.093 180.00 1.40252 0.00 2 4 0 1 o 399.854 187.146 180.00 1.39894 0.04 5 1 3 2 o 415.451 225.331 180.00 1.39943 0.08 2 4 0 2 o 232.273 187.146 180.00 1.39894 0.01 4 3 2 1 o 627.708 372.429 0.00 1.39493 0.17 4 3 2 2 o 631.781 372.429 0.00 1.39493 0.09 7 3 0 1 o 10901.411 5497.524 0.00 1.38526 1.83 3 2 3 1 o 262.281 129.019 0.00 1.38317 0.06 7 3 0 2 o 11197.101 5497.524 0.00 1.38526 0.94 3 2 3 2 o 152.245 129.019 0.00 1.38317 0.02 7 2 2 1 o 78.129 74.294 0.00 1.37954 0.02 7 2 2 2 o 33.631 74.294 0.00 1.37954 0.00 0 4 1 1 o 46904.23 49710.68 0.00 1.37306 6.15 0 4 1 2 o 46139.04 49710.68 0.00 1.37306 3.01 1 4 1 1 o 51.689 40.896 0.00 1.36663 0.01 1 4 1 2 o 61.214 40.896 0.00 1.36663 0.01 2 4 1 1 o 211.573 1908.863 180.00 1.34789 0.16 2 4 1 2 o 1489.841 1908.863 180.00 1.34789 0.25 4 2 3 1 o 1589.126 2013.016 180.00 1.33907 0.48 5 3 2 1 o 26.185 61.046 180.00 1.33761 0.04 4 2 3 2 o 1575.357 2013.016 180.00 1.33907 0.24 7 3 1 1 o 1527.687 1770.144 180.00 1.33564 0.41 5 3 2 2 o 148.887 61.046 180.00 1.33761 0.04 9 0 2 1 o 2400.791 1065.104 180.00 1.33313 0.34 7 3 1 2 o 4552.964 1770.144 180.00 1.33564 0.63 9 0 2 2 o 3737.835 1065.104 180.00 1.33313 0.26 6 1 3 1 o 348.592 101.698 0.00 1.32967 0.08 9 2 1 1 o 2499.854 597.811 0.00 1.32792 0.74 6 1 3 2 o 574.059 101.698 0.00 1.32967 0.07 9 2 1 2 o 2580.329 597.811 0.00 1.32792 0.38 10 1 1 1 o 4.985 1.225 180.00 1.32452 0.00 4 4 0 1 o 72.251 73.938 180.00 1.32341 0.00 10 1 1 2 o 0.011 1.225 180.00 1.32452 0.00 4 4 0 2 o 260.654 73.938 180.00 1.32341 0.01 3 4 1 1 o 475.454 184.612 180.00 1.31829 0.12 3 4 1 2 o 896.087 184.612 180.00 1.31829 0.12 9 1 2 1 o 11310.148 10318.479 180.00 1.29820 2.87 9 1 2 2 o 10910.155 10318.479 180.00 1.29820 1.37 8 2 2 1 o 170.905 65.294 180.00 1.29053 0.06 5 2 3 1 o 74.956 324.499 180.00 1.28812 0.02 8 2 2 2 o -44.323 65.294 180.00 1.29053 0.00 5 2 3 2 o 236.164 324.499 180.00 1.28812 0.03 4 4 1 1 o 4073.345 5451.709 180.00 1.27994 1.17 4 4 1 2 o 5077.662 5451.709 180.00 1.27994 0.70 6 3 2 1 o 113.534 101.486 180.00 1.27630 0.03 6 3 2 2 o 104.910 101.486 180.00 1.27630 0.01 10 2 0 1 o 5647.942 4833.583 0.00 1.26731 0.83 10 2 0 2 o 1864.159 4833.583 0.00 1.26731 0.15 7 1 3 1 o 4703.714 5915.190 180.00 1.25929 1.21 0 0 4 1 o 32887.207 35117.19 0.00 1.25884 1.35 7 1 3 2 o 5400.029 5915.190 180.00 1.25929 0.68 0 0 4 2 o 34742.215 35117.19 0.00 1.25884 0.71 8 3 1 1 o 86.890 104.137 0.00 1.25437 0.02 11 1 0 1 o 683.828 784.388 0.00 1.25437 0.07 1 0 4 1 o 162.820 212.929 0.00 1.25389 0.01 1 3 3 1 o 1088.040 1415.024 0.00 1.25379 0.21 8 3 1 2 o 93.711 104.137 0.00 1.25437 0.01 11 1 0 2 o 722.027 784.388 0.00 1.25437 0.04 1 0 4 2 o 124.631 212.929 0.00 1.25389 0.01 1 3 3 2 o 795.031 1415.024 0.00 1.25379 0.07 0 4 2 1 o 350.883 2234.318 0.00 1.24155 0.00 2 0 4 1 o 821.107 747.949 180.00 1.23936 0.10 2 3 3 1 o 20.707 19.614 180.00 1.23927 0.00 0 4 2 2 o 1658.731 2234.318 0.00 1.24155 0.07 1 4 2 1 o 5.214 5.997 0.00 1.23679 0.00 2 0 4 2 o 310.861 747.949 180.00 1.23936 0.03 2 3 3 2 o 9.931 19.614 180.00 1.23927 0.00 5 4 1 1 o 17.998 73.806 180.00 1.23523 0.00 1 4 2 2 o 4.216 5.997 0.00 1.23679 0.00 10 0 2 1 o 5941.499 8605.229 0.00 1.23311 0.88 6 2 3 1 o 13326.414 17841.457 0.00 1.23310 2.51 5 4 1 2 o 56.419 73.806 180.00 1.23523 0.01 10 0 2 2 o 7381.697 8605.229 0.00 1.23311 0.53 6 2 3 2 o 15800.873 17841.457 0.00 1.23310 1.51 10 2 1 1 o 5387.047 5301.126 0.00 1.22899 1.61 10 2 1 2 o 6281.146 5301.126 0.00 1.22899 0.92 1 1 4 1 o 82.943 85.241 180.00 1.22469 0.03 2 4 2 1 o 308.610 301.616 0.00 1.22285 0.04 1 1 4 2 o -9.638 85.241 180.00 1.22469 0.00 6 4 0 1 o 197.709 792.479 180.00 1.22084 0.00 2 4 2 2 o 116.186 301.616 0.00 1.22285 0.00 6 4 0 2 o 619.220 792.479 180.00 1.22084 0.03 11 1 1 1 o 444.028 391.521 180.00 1.21717 0.08 3 0 4 1 o 1282.056 690.572 0.00 1.21623 0.11 3 3 3 1 o 1571.643 844.128 180.00 1.21615 0.32 11 1 1 2 o 400.429 391.521 180.00 1.21717 0.03 7 3 2 1 o 5861.266 6215.284 180.00 1.21368 1.54 3 0 4 2 o 615.457 690.572 0.00 1.21623 0.03 3 3 3 2 o 739.968 844.128 180.00 1.21615 0.08 9 3 0 1 o 29298.979 30915.438 180.00 1.21171 3.44 2 1 4 1 o 7.557 7.816 0.00 1.21115 0.00 7 3 2 2 o 5923.887 6215.284 180.00 1.21368 0.77 9 3 0 2 o 31257.287 30915.438 180.00 1.21171 1.84 2 1 4 2 o 8.770 7.816 0.00 1.21115 0.00 9 2 2 1 o 8.589 7.404 180.00 1.20788 0.00 10 1 2 1 o -0.419 28.050 180.00 1.20531 0.00 9 2 2 2 o -0.592 7.404 180.00 1.20788 0.00 10 1 2 2 o 80.226 28.050 180.00 1.20531 0.01 3 4 2 1 o 2232.888 807.312 180.00 1.20062 0.48 3 4 2 2 o 2365.689 807.312 180.00 1.20062 0.25 8 1 3 1 o 72.359 59.048 180.00 1.19050 0.02 3 1 4 1 o 7531.638 7225.861 0.00 1.18954 1.20 8 1 3 2 o 47.818 59.048 180.00 1.19050 0.00 3 1 4 2 o 7312.132 7225.861 0.00 1.18954 0.58 6 4 1 1 o 33699.996 33043.742 0.00 1.18646 7.28 4 0 4 1 o 3936.354 3750.208 180.00 1.18593 0.40 4 3 3 1 o 101.654 97.743 180.00 1.18585 0.02 6 4 1 2 o 31881.605 33043.742 0.00 1.18646 3.43 4 0 4 2 o 3940.601 3750.208 180.00 1.18593 0.20 4 3 3 2 o 103.489 97.743 180.00 1.18585 0.01 12 0 0 1 o 60940.68 40511.39 0.00 1.17864 3.82 9 3 1 1 o 799.250 484.814 0.00 1.17808 0.20 7 2 3 1 o 4.465 3.134 0.00 1.17635 0.00 12 0 0 2 o 54092.10 40511.39 0.00 1.17864 1.68 9 3 1 2 o 631.620 484.814 0.00 1.17808 0.08 7 2 3 2 o 2.712 3.134 0.00 1.17635 0.00 4 4 2 1 o 28.433 24.726 0.00 1.17144 0.00 4 4 2 2 o 29.026 24.726 0.00 1.17144 0.00 4 1 4 1 o 1371.996 193.633 0.00 1.16114 0.23 4 1 4 2 o 649.210 193.633 0.00 1.16114 0.06 0 2 4 1 o 29497.152 14030.086 180.00 1.15180 2.38 8 3 2 1 o 471.231 219.548 180.00 1.15174 0.10 5 0 4 1 o 519.732 393.894 180.00 1.15010 0.04 5 3 3 1 o 132.975 107.347 0.00 1.15003 0.02 0 2 4 2 o 22276.154 14030.086 180.00 1.15180 0.89 8 3 2 2 o 355.990 219.548 180.00 1.15174 0.04 1 2 4 1 o 121.148 109.748 180.00 1.14800 0.02 5 0 4 2 o -0.792 393.894 180.00 1.15010 0.00 5 3 3 2 o 18.220 107.347 0.00 1.15003 0.00 1 2 4 2 o 33.313 109.748 180.00 1.14800 0.00 11 0 2 1 o 61.534 285.706 0.00 1.14510 0.01 11 0 2 2 o -3.703 285.706 0.00 1.14510 0.00 11 2 1 1 o -0.004 1.249 0.00 1.14180 0.00 11 2 1 2 o -0.004 1.249 0.00 1.14180 0.00 1 5 0 1 o 1191.015 4364.111 180.00 1.13801 0.14 5 4 2 1 o 22.992 23.626 0.00 1.13687 0.00 2 2 4 1 o 1008.978 960.073 0.00 1.13682 0.19 7 4 1 1 o 0.394 0.301 0.00 1.13565 0.00 1 5 0 2 o 4524.915 4364.111 180.00 1.13801 0.24 5 4 2 2 o 15.248 23.626 0.00 1.13687 0.00 2 2 4 2 o 571.252 960.073 0.00 1.13682 0.06 7 4 1 2 o 0.106 0.301 0.00 1.13565 0.00 10 2 2 1 o 3194.717 4572.799 180.00 1.13199 0.77 10 2 2 2 o 2198.398 4572.799 180.00 1.13199 0.27 5 1 4 1 o 38.767 30.485 180.00 1.12745 0.01 12 1 1 1 o 128.865 153.242 0.00 1.12511 0.03 9 1 3 1 o 22567.896 22506.285 0.00 1.12469 4.29 5 1 4 2 o 32.407 30.485 180.00 1.12745 0.01 11 1 2 1 o 46.166 45.354 180.00 1.12274 0.00 12 1 1 2 o 161.576 153.242 0.00 1.12511 0.02 9 1 3 2 o 24722.725 22506.285 0.00 1.12469 2.36 11 1 2 2 o 64.003 45.354 180.00 1.12274 0.00 8 2 3 1 o 228.566 138.174 0.00 1.11969 0.03 3 2 4 1 o 136.823 27.486 0.00 1.11889 0.02 8 2 3 2 o 136.953 138.174 0.00 1.11969 0.01 3 2 4 2 o 51.038 27.486 0.00 1.11889 0.00 8 4 0 1 o 638.271 645.139 180.00 1.11049 0.05 6 0 4 1 o 40259.16 40648.52 0.00 1.11043 3.27 6 3 3 1 o 4.307 4.344 0.00 1.11036 0.00 1 5 1 1 o 49.276 52.246 180.00 1.11002 0.03 3 5 0 1 o 16198.628 16767.072 0.00 1.10964 1.62 8 4 0 2 o 668.977 645.139 180.00 1.11049 0.03 6 0 4 2 o 42752.30 40648.52 0.00 1.11043 1.74 6 3 3 2 o 4.622 4.344 0.00 1.11036 0.00 10 3 1 1 o 24.880 22.886 0.00 1.10735 0.01 1 5 1 2 o 66.604 52.246 180.00 1.11002 0.02 3 5 0 2 o 19769.559 16767.072 0.00 1.10964 0.99 10 3 1 2 o 29.206 22.886 0.00 1.10735 0.00 2 5 1 1 o 281.160 149.432 180.00 1.09990 0.06 6 4 2 1 o 5307.248 3222.261 0.00 1.09850 0.99 2 5 1 2 o 209.673 149.432 180.00 1.09990 0.02 6 4 2 2 o 4873.141 3222.261 0.00 1.09850 0.45 4 2 4 1 o 3284.061 2205.869 0.00 1.09516 0.57 4 2 4 2 o 1850.281 2205.869 0.00 1.09516 0.17 9 3 2 1 o 30447.943 30426.307 0.00 1.09184 6.04 6 1 4 1 o 59.592 60.725 0.00 1.09000 0.01 12 2 0 1 o 9373.892 9264.227 180.00 1.08942 1.05 9 3 2 2 o 32099.563 30426.307 0.00 1.09184 3.19 6 1 4 2 o 62.221 60.725 0.00 1.09000 0.01 0 4 3 1 o 28038.949 27224.148 180.00 1.08725 2.39 12 2 0 2 o 10925.744 9264.227 180.00 1.08942 0.62 0 4 3 2 o 23891.002 27224.148 180.00 1.08725 1.01 8 4 1 1 o 61.789 77.967 180.00 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6 2 2 o 28.466 35.262 180.00 0.87455 0.00 9 3 4 2 o 16248.424 19231.701 180.00 0.87300 2.00 15 1 2 2 o 2012.616 2608.602 180.00 0.87264 0.29 13 2 3 1 o 44.771 62.124 0.00 0.86956 0.01 6 6 1 1 o 1774.161 2375.841 180.00 0.86904 0.54 13 2 3 2 o 58.680 62.124 0.00 0.86956 0.01 9 5 2 1 o 9087.710 9441.495 180.00 0.86717 2.62 6 6 1 2 o 2224.406 2375.841 180.00 0.86904 0.34 9 5 2 2 o 8334.963 9441.495 180.00 0.86717 1.22 8 1 5 1 o 255.241 287.810 0.00 0.86496 0.06 4 3 5 1 o 16.882 15.074 0.00 0.86317 0.00 4 6 2 1 o 2663.922 2459.319 0.00 0.86308 0.86 8 1 5 2 o 256.565 287.810 0.00 0.86496 0.03 10 4 3 1 o 6351.807 6592.239 0.00 0.86200 2.00 4 3 5 2 o 16.263 15.074 0.00 0.86317 0.00 4 6 2 2 o 2669.299 2459.319 0.00 0.86308 0.44 16 1 1 1 o 13.653 12.430 180.00 0.86071 0.00 12 0 4 1 o 17419.752 15872.582 0.00 0.86038 2.42 12 3 3 1 o 13.823 12.600 180.00 0.86035 0.00 10 4 3 2 o 6745.664 6592.239 0.00 0.86200 1.07 7 2 5 1 o 140.295 123.593 180.00 0.85949 0.04 16 1 1 2 o 21.595 12.430 180.00 0.86071 0.00 12 0 4 2 o 28076.428 15872.582 0.00 0.86038 2.01 12 3 3 2 o 23.541 12.600 180.00 0.86035 0.00 11 2 4 1 o 173.127 71.200 0.00 0.85792 0.05 7 2 5 2 o 419.106 123.593 180.00 0.85949 0.05 12 4 2 1 o 1026.702 868.480 0.00 0.85480 0.29 14 1 3 1 o 292.182 136.198 180.00 0.85579 0.10 11 2 4 2 o 148.883 71.200 0.00 0.85792 0.02 7 4 4 1 o 16.027 17.029 180.00 0.85530 0.00 7 5 3 1 o 704.046 800.255 0.00 0.85527 0.27 11 5 0 1 o -20.685 97.950 180.00 0.85373 0.00 14 1 3 2 o -0.979 136.198 180.00 0.85579 0.00 7 4 4 2 o 18.707 17.029 180.00 0.85530 0.00 7 5 3 2 o 931.992 800.255 0.00 0.85527 0.17 13 4 1 1 o 10.968 11.077 0.00 0.85273 0.00 12 4 2 2 o 862.403 868.480 0.00 0.85480 0.12 11 5 0 2 o 260.942 97.950 180.00 0.85373 0.02 12 1 4 1 o -0.728 4.381 180.00 0.85077 0.00 13 4 1 2 o -0.223 11.077 0.00 0.85273 0.00 _reflns_number_total 685 _reflns_limit_h_min 0 _reflns_limit_h_max 16 _reflns_limit_k_min 0 _reflns_limit_k_max 6 _reflns_limit_l_min 0 _reflns_limit_l_max 5 _reflns_d_resolution_high 0.851 _reflns_d_resolution_low 7.072 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#