data_WONG732_publ _pd_block_id 2015-08-17T10:40|WONG732|James_A._Kaduk|d2 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2015-08-17T10:40 _audit_author_name "James A. Kaduk" _audit_update_record ; 2015-08-17T10:40 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 0.03 _refine_ls_shift/su_mean 0.00 _computing_structure_refinement GSAS _refine_ls_number_parameters 34 _refine_ls_goodness_of_fit_all 1.18 _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 "(Ni0.2 Zn0.8 Co1.0) Nb4 O12" _cell_length_a 14.15687(28) _cell_length_b 5.71209(13) _cell_length_c 5.03673(11) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 407.296(17) _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 0.1634(11) 0.25 0.1 Uiso 0.0164(22) 4 Zn Zn2 0.0 0.1634(11) 0.25 0.4 Uiso 0.0164(22) 4 Co Co3 0.0 0.1634(11) 0.25 0.5 Uiso 0.0164(22) 4 Nb Nb4 0.15988(19) 0.3161(4) 0.7442(18) 1.0 Uiso 0.0175(8) 8 O O5 0.0922(7) 0.3850(15) 0.3952(23) 1.0 Uiso 0.0396(25) 8 O O6 0.0773(5) 0.0823(14) 0.9348(14) 1.0 Uiso 0.0396(25) 8 O O7 0.2638(8) 0.1079(17) 0.5861(26) 1.0 Uiso 0.0396(25) 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Co0.25 Nb Ni0.05 O3 Zn0.20" _chemical_formula_weight 171.65 _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 1.960(5) . 1_555 N Ni1 O5 1.960(5) . -3_555 N Ni1 O6 1.983(5) . 1_554 N Ni1 O6 2.008(5) . 3_554 N Ni1 O6 2.008(5) . -1_556 N Ni1 O6 1.983(5) . -3_556 N Zn2 Zn2 3.135(7) . 3_554 N Zn2 Zn2 3.135(7) . 3_555 N Zn2 O5 1.960(5) . 1_555 N Zn2 O5 1.960(5) . -3_555 N Zn2 O6 1.983(5) . 1_554 N Zn2 O6 2.008(5) . 3_554 N Zn2 O6 2.008(5) . -1_556 N Zn2 O6 1.983(5) . -3_556 N Co3 O5 1.960(5) . 1_555 N Co3 O5 1.960(5) . -3_555 N Co3 O6 1.983(5) . 1_554 N Co3 O6 2.008(5) . 3_554 N Co3 O6 2.008(5) . -1_556 N Co3 O6 1.983(5) . -3_556 N Nb4 Nb4 3.2798(28) . 3_564 N Nb4 Nb4 3.2798(28) . 3_565 N Nb4 O5 2.040(6) . 1_555 N Nb4 O5 2.100(6) . 3_565 N Nb4 O6 2.017(6) . 1_555 N Nb4 O7 2.052(5) . 1_555 N Nb4 O7 2.140(6) . 2_555 N Nb4 O7 2.079(6) . 4_555 N O5 Ni1 1.960(5) . 1_555 N O5 Zn2 1.960(5) . 1_555 N O5 Co3 1.960(5) . 1_555 N O5 Nb4 2.040(6) . 1_555 N O5 Nb4 2.100(6) . 3_564 N O6 Ni1 1.983(5) . 1_556 N O6 Ni1 2.008(5) . 3_555 N O6 Zn2 1.983(5) . 1_556 N O6 Zn2 2.008(5) . 3_555 N O6 Co3 1.983(5) . 1_556 N O6 Co3 2.008(5) . 3_555 N O6 Nb4 2.017(6) . 1_555 N O7 Nb4 2.052(5) . 1_555 N O7 Nb4 2.140(6) . 2_545 N O7 Nb4 2.079(6) . 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 99.6(7) 1_555 . -3_556 N O5 Ni1 O6 94.7(5) 1_555 . 1_554 N O5 Ni1 O6 85.1(4) 1_555 . 3_554 N O5 Ni1 O6 170.8(5) 1_555 . -1_556 N O5 Ni1 O6 102.7(4) 1_555 . -3_557 N O5 Ni1 O6 102.7(4) -3_556 . 1_554 N O5 Ni1 O6 170.8(5) -3_556 . 3_554 N O5 Ni1 O6 85.1(4) -3_556 . -1_556 N O5 Ni1 O6 94.7(5) -3_556 . -3_557 N O6 Ni1 O6 84.66(27) 1_554 . 3_554 N O6 Ni1 O6 76.50(33) 1_554 . -1_556 N O6 Ni1 O6 153.0(6) 1_554 . -3_557 N O6 Ni1 O6 91.3(7) 3_554 . -1_556 N O6 Ni1 O6 76.50(33) 3_554 . -3_557 N O6 Ni1 O6 84.66(27) -1_556 . -3_557 N O5 Zn2 O5 99.6(7) 1_555 . -3_556 N O5 Zn2 O6 94.7(5) 1_555 . 1_554 N O5 Zn2 O6 85.1(4) 1_555 . 3_554 N O5 Zn2 O6 170.8(5) 1_555 . -1_556 N O5 Zn2 O6 102.7(4) 1_555 . -3_557 N O5 Zn2 O6 102.7(4) -3_556 . 1_554 N O5 Zn2 O6 170.8(5) -3_556 . 3_554 N O5 Zn2 O6 85.1(4) -3_556 . -1_556 N O5 Zn2 O6 94.7(5) -3_556 . -3_557 N O6 Zn2 O6 84.66(27) 1_554 . 3_554 N O6 Zn2 O6 76.50(33) 1_554 . -1_556 N O6 Zn2 O6 153.0(6) 1_554 . -3_557 N O6 Zn2 O6 91.3(7) 3_554 . -1_556 N O6 Zn2 O6 76.50(33) 3_554 . -3_557 N O6 Zn2 O6 84.66(27) -1_556 . -3_557 N O5 Co3 O5 99.6(7) 1_555 . -3_556 N O5 Co3 O6 94.7(5) 1_555 . 1_554 N O5 Co3 O6 85.1(4) 1_555 . 3_554 N O5 Co3 O6 170.8(5) 1_555 . -1_556 N O5 Co3 O6 102.7(4) 1_555 . -3_557 N O5 Co3 O6 102.7(4) -3_556 . 1_554 N O5 Co3 O6 170.8(5) -3_556 . 3_554 N O5 Co3 O6 85.1(4) -3_556 . -1_556 N O5 Co3 O6 94.7(5) -3_556 . -3_557 N O6 Co3 O6 84.66(27) 1_554 . 3_554 N O6 Co3 O6 76.50(33) 1_554 . -1_556 N O6 Co3 O6 153.0(6) 1_554 . -3_557 N O6 Co3 O6 91.3(7) 3_554 . -1_556 N O6 Co3 O6 76.50(33) 3_554 . -3_557 N O6 Co3 O6 84.66(27) -1_556 . -3_557 N O5 Nb4 O5 86.63(34) 1_555 . 3_565 N O5 Nb4 O6 105.4(4) 1_555 . 1_555 N O5 Nb4 O7 96.5(6) 1_555 . 1_555 N O5 Nb4 O7 76.47(23) 1_555 . 2_555 N O5 Nb4 O7 156.55(34) 1_555 . 4_555 N O5 Nb4 O6 95.8(5) 3_565 . 1_555 N O5 Nb4 O7 159.8(4) 3_565 . 1_555 N O5 Nb4 O7 74.4(4) 3_565 . 2_555 N O5 Nb4 O7 76.54(23) 3_565 . 4_555 N O6 Nb4 O7 102.49(34) 1_555 . 1_555 N O6 Nb4 O7 170.1(5) 1_555 . 2_555 N O6 Nb4 O7 92.6(6) 1_555 . 4_555 N O7 Nb4 O7 86.84(22) 1_555 . 2_555 N O7 Nb4 O7 94.01(28) 1_555 . 4_555 N O7 Nb4 O7 83.3(4) 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 120.6(4) 1_555 . 1_555 N Ni1 O5 Nb4 133.9(4) 1_555 . 3_564 N Zn2 O5 Co3 0.0 1_555 . 1_555 N Zn2 O5 Nb4 120.6(4) 1_555 . 1_555 N Zn2 O5 Nb4 133.9(4) 1_555 . 3_564 N Co3 O5 Nb4 120.6(4) 1_555 . 1_555 N Co3 O5 Nb4 133.9(4) 1_555 . 3_564 N Nb4 O5 Nb4 104.77(25) 1_555 . 3_564 N Ni1 O6 Ni1 103.50(33) 1_556 . 3_555 N Ni1 O6 Zn2 0.0 1_556 . 1_556 N Ni1 O6 Zn2 103.50(33) 1_556 . 3_555 N Ni1 O6 Co3 0.0 1_556 . 1_556 N Ni1 O6 Co3 103.50(33) 1_556 . 3_555 N Ni1 O6 Nb4 123.1(5) 1_556 . 1_555 N Ni1 O6 Zn2 103.50(33) 3_555 . 1_556 N Ni1 O6 Zn2 0.0 3_555 . 3_555 N Ni1 O6 Co3 103.50(33) 3_555 . 1_556 N Ni1 O6 Co3 0.0 3_555 . 3_555 N Ni1 O6 Nb4 123.9(4) 3_555 . 1_555 N Zn2 O6 Zn2 103.50(33) 1_556 . 3_555 N Zn2 O6 Co3 0.0 1_556 . 1_556 N Zn2 O6 Co3 103.50(33) 1_556 . 3_555 N Zn2 O6 Nb4 123.1(5) 1_556 . 1_555 N Zn2 O6 Co3 103.50(33) 3_555 . 1_556 N Zn2 O6 Co3 0.0 3_555 . 3_555 N Zn2 O6 Nb4 123.9(4) 3_555 . 1_555 N Co3 O6 Co3 103.50(33) 1_556 . 3_555 N Co3 O6 Nb4 123.1(5) 1_556 . 1_555 N Co3 O6 Nb4 123.9(4) 3_555 . 1_555 N Nb4 O7 Nb4 131.97(34) 1_555 . 2_545 N Nb4 O7 Nb4 124.96(31) 1_555 . 4_554 N Nb4 O7 Nb4 102.03(27) 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 0.4 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 1.6 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 0.0305 _pd_proc_ls_prof_wR_factor 0.0400 _pd_proc_ls_prof_wR_expected 0.0368 _refine_ls_R_Fsqd_factor 0.13741 _pd_proc_ls_background_function ; GSAS Background function number 1 with 9 terms. Shifted Chebyshev function of 1st kind 1: 694.087 2: -106.922 3: 58.2865 4: -16.1201 5: -1.67964 6: -3.60346 7: -1.73611 8: -4.41028 9: 1.37518 ; _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 0.96929 # 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) = 6.926 #5(LY) = 3.612 #6(trns) = 5.141 #7(asym) = 3.0390 #8(shft) = -0.4749 #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 2015-08-17T10:40:52 _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 1584.0 . . . 1604.0 . . . 1606.0 . . . 1484.0 . . . 1524.0 . . . 1454.0 . . . 1499.0 . . . 1546.0 . . . 1530.0 . . . 1452.0 . . . 1512.0 . . . 1443.0 . . . 1452.0 . . . 1355.0 . . . 1425.0 . . . 1386.0 . . . 1392.0 . . . 1397.0 . . . 1382.0 . . . 1343.0 . . . 1312.0 . . . 1289.0 . . . 1312.0 . . . 1247.0 . . . 1280.0 . . . 1219.0 . . . 1263.0 . . . 1274.0 . . . 1286.0 . . . 1260.0 . . . 1321.0 . . . 1253.0 . . . 1234.0 . . . 1241.0 . . . 1240.0 . . . 1151.0 . . . 1147.0 . . . 1160.0 . . . 1172.0 . . . 1154.0 . . . 1158.0 . . . 1132.0 . . . 1146.0 . . . 1185.0 . . . 1094.0 . . . 1093.0 . . . 1143.0 . . . 1106.0 . . . 1095.0 . . . 1122.0 . . . 1098.0 . . . 1039.0 . . . 1097.0 . . . 1074.0 . . . 1040.0 . . . 1015.0 . . . 1110.0 . . . 1045.0 . . . 1104.0 . . . 1021.0 . . . 975.0 . . . 1027.0 . . . 1032.0 . . . 990.0 . . . 996.0 . . . 964.0 . . . 1004.0 . . . 977.0 . . . 974.0 . . . 954.0 . . . 1014.0 . . . 953.0 . . . 974.0 . . . 936.0 . . . 982.0 . . . 969.0 . . . 987.0 . . . 964.0 . . . 944.0 . . . 977.0 . . . 1008.0 . . . 884.0 . . . 891.0 . . . 854.0 . . . 900.0 . . . 895.0 . . . 878.0 . . . 840.0 . . . 880.0 . . . 875.0 . . . 880.0 . . . 939.0 . . . 902.0 . . . 884.0 . . . 863.0 . . . 821.0 . . . 855.0 . . . 907.0 . . . 822.0 . . . 826.0 . . . 875.0 . . . 863.0 . . . 871.0 . . . 838.0 . . . 795.0 . . . 813.0 . . . 831.0 . . . 851.0 . . . 861.0 . . . 785.0 . . . 865.0 . . . 796.0 . . . 834.0 . . . 837.0 . . . 796.0 . . . 815.0 . . . 770.0 . . . 848.0 . . . 812.0 . . . 789.0 . . . 820.0 . . . 821.0 . . . 747.0 . . . 756.0 . . . 767.0 . . . 806.0 . . . 779.0 . . . 825.0 . . . 760.0 . . . 777.0 . . . 823.0 . . . 780.0 . . . 806.0 . . . 755.0 . . . 740.0 . . . 788.0 . . . 736.0 . . . 745.0 . . . 776.0 . . . 785.0 . . . 752.0 . . . 796.0 . . . 736.0 . . . 826.0 . . . 775.0 . . . 740.0 . . . 731.0 . . . 700.0 . . . 717.0 . . . 738.0 . . . 715.0 . . . 758.0 . . . 775.0 . . . 717.0 . . . 734.0 . . . 736.0 . . . 794.0 . . . 716.0 . . . 674.0 . . . 736.0 . . . 746.0 . . . 733.0 . . . 721.0 . . . 711.0 . . . 778.0 . . . 722.0 . . . 679.0 . . . 738.0 . . . 711.0 . . . 698.0 . . . 679.0 . . . 757.0 . . . 752.0 . . . 703.0 . . . 715.0 . . . 738.0 . . . 707.0 . . . 707.0 . . . 715.0 . . . 712.0 . . . 743.0 . . . 686.0 . . . 728.0 . . . 678.0 . . . 685.0 . . . 690.0 . . . 703.0 . . . 691.0 . . . 724.0 . . . 687.0 . . . 705.0 . . . 724.0 . . . 675.0 . . . 686.0 . . . 654.0 . . . 705.0 . . . 730.0 . . . 723.0 . . . 720.0 . . . 670.0 . . . 665.0 . . . 716.0 . . . 713.0 . . . 689.0 . . . 687.0 . . . 711.0 . . . 711.0 . . . 752.0 . . . 693.0 . . . 724.0 . . . 662.0 . . . 704.0 . . . 678.0 . . . 692.0 . . . 690.0 . . . 652.0 . . . 724.0 . . . 702.0 . . . 650.0 . . . 663.0 . . . 693.0 . . . 709.0 . . . 711.0 . . . 704.0 . . . 714.0 . . . 710.0 . . . 712.0 . . . 724.0 . . . 712.0 . . . 724.0 . . . 700.0 . . . 686.0 . . . 674.0 . . . 702.0 . . . 684.0 . . . 745.0 . . . 723.0 . . . 750.0 . . . 658.0 . . . 670.0 . . . 708.0 . . . 691.0 . . . 696.0 . . . 634.0 . . . 690.0 . . . 682.0 . . . 715.0 . . . 682.0 . . . 672.0 . . . 743.0 . . . 688.0 . . . 689.0 . . . 675.0 . . . 710.0 . . . 669.0 . . . 731.0 . . . 718.0 . . . 698.0 . . . 661.0 . . . 742.0 . . . 723.0 . . . 721.0 . . . 682.0 . . . 676.0 . . . 738.0 . . . 707.0 . . . 680.0 . . . 721.0 . . . 764.0 . . . 719.0 . . . 722.0 . . . 728.0 . . . 723.0 . . . 765.0 . . . 758.0 . . . 769.0 . . . 764.0 . . . 769.0 . . . 752.0 . . . 754.0 . . . 719.0 . . . 741.0 . . . 764.0 . . . 774.0 . . . 781.0 . . . 718.0 . . . 752.0 . . . 793.0 . . . 741.0 . . . 742.0 . . . 763.0 . . . 797.0 . . . 726.0 . . . 745.0 . . . 743.0 . . . 752.0 . . . 798.0 . . . 798.0 . . . 751.0 . . . 734.0 . . . 741.0 . . . 765.0 . . . 760.0 . . . 775.0 . . . 791.0 . . . 819.0 . . . 755.0 . . . 792.0 . . . 764.0 . . . 755.0 . . . 820.0 . . . 802.0 . . . 806.0 . . . 760.0 . . . 760.0 . . . 779.0 . . . 784.0 . . . 773.0 . . . 758.0 . . . 822.0 . . . 770.0 . . . 760.0 . . . 768.0 . . . 778.0 . . . 756.0 . . . 795.0 . . . 757.0 . . . 768.0 . . . 769.0 . . . 745.0 . . . 773.0 . . . 747.0 . . . 778.0 . . . 807.0 . . . 773.0 . . . 791.0 . . . 769.0 . . . 738.0 . . . 775.0 . . . 758.0 . . . 754.0 . . . 767.0 . . . 803.0 . . . 774.0 . . . 799.0 . . . 724.0 . . . 772.0 . . . 747.0 0.001339 881.38879 883.15625 740.0 0.001351 881.11835 883.03180 797.0 0.001255 880.84863 882.92700 847.0 0.001181 880.57965 882.84497 785.0 0.001274 880.31128 882.79010 762.0 0.001312 880.04358 882.76758 769.0 0.001300 879.77655 882.78418 798.0 0.001253 879.51025 882.84839 758.0 0.001319 879.24451 882.97131 768.0 0.001302 878.97949 883.16766 819.0 0.001221 878.71515 883.45691 797.0 0.001255 878.45142 883.86609 788.0 0.001269 878.18835 884.43262 787.0 0.001271 877.92596 885.21051 762.0 0.001312 877.66418 886.28033 809.0 0.001236 877.40314 887.76703 820.0 0.001220 877.14264 889.88196 832.0 0.001202 876.88287 893.01001 783.0 0.001277 876.62372 897.88141 816.0 0.001225 876.36517 905.81653 855.0 0.001170 876.10736 918.80865 865.0 0.001156 875.85010 938.34668 898.0 0.001114 875.59351 964.10291 960.0 0.001042 875.33759 994.52637 1006.0 0.000994 875.08221 1021.18298 1050.0 0.000952 874.82751 1045.08105 1127.0 0.000887 874.57349 1067.20923 1175.0 0.000851 874.32001 1080.38586 1109.0 0.000902 874.06720 1069.88599 1117.0 0.000895 873.81500 1032.02136 975.0 0.001026 873.56342 985.28802 933.0 0.001072 873.31244 945.76660 881.0 0.001135 873.06213 919.96832 838.0 0.001193 872.81244 904.75104 821.0 0.001218 872.56329 895.69293 811.0 0.001233 872.31482 889.94409 826.0 0.001211 872.06689 886.00409 843.0 0.001186 871.81958 883.13190 769.0 0.001300 871.57294 880.94366 892.0 0.001121 871.32684 879.21869 923.0 0.001083 871.08136 877.82007 904.0 0.001106 870.83649 876.65900 907.0 0.001103 870.59222 875.67413 905.0 0.001105 870.34851 874.82312 944.0 0.001059 870.10547 874.07581 919.0 0.001088 869.86298 873.41003 866.0 0.001155 869.62109 872.80927 901.0 0.001110 869.37976 872.26105 887.0 0.001127 869.13898 871.75568 895.0 0.001117 868.89886 871.28589 926.0 0.001080 868.65930 870.84558 932.0 0.001073 868.42035 870.43024 945.0 0.001058 868.18195 870.03589 909.0 0.001100 867.94409 869.65961 903.0 0.001107 867.70685 869.29889 929.0 0.001076 867.47015 868.95160 966.0 0.001035 867.23407 868.61591 907.0 0.001103 866.99854 868.29053 918.0 0.001089 866.76355 867.97424 940.0 0.001064 866.52917 867.66589 929.0 0.001076 866.29529 867.36462 859.0 0.001164 866.06207 867.06982 924.0 0.001082 865.82935 866.78070 894.0 0.001119 865.59717 866.49670 901.0 0.001110 865.36560 866.21735 924.0 0.001082 865.13452 865.94232 921.0 0.001086 864.90405 865.67102 875.0 0.001143 864.67413 865.40332 897.0 0.001115 864.44476 865.13892 898.0 0.001114 864.21588 864.87756 878.0 0.001139 863.98761 864.61890 937.0 0.001067 863.75983 864.36279 927.0 0.001079 863.53265 864.10907 909.0 0.001100 863.30597 863.85773 912.0 0.001096 863.07983 863.60834 873.0 0.001145 862.85425 863.36096 913.0 0.001095 862.62921 863.11542 856.0 0.001168 862.40466 862.87158 875.0 0.001143 862.18073 862.62952 905.0 0.001105 861.95721 862.38885 896.0 0.001116 861.73431 862.14978 885.0 0.001130 861.51190 861.91211 894.0 0.001119 861.29004 861.67578 928.0 0.001078 861.06866 861.19238 920.0 0.001087 860.84784 860.84106 910.0 0.001099 860.62756 860.62085 905.0 0.001105 860.40778 860.40106 934.0 0.001071 860.18848 860.18188 932.0 0.001073 859.96973 859.96320 951.0 0.001052 859.75146 859.74500 946.0 0.001057 859.53375 859.52734 902.0 0.001109 859.31653 859.31018 899.0 0.001112 859.09979 859.09351 877.0 0.001140 858.88361 858.87738 903.0 0.001107 858.66791 858.66174 894.0 0.001119 858.45270 858.44659 908.0 0.001101 858.23798 858.23193 906.0 0.001104 858.02380 858.01782 881.0 0.001135 857.81006 857.80414 897.0 0.001115 857.59686 857.59100 963.0 0.001038 857.38416 857.37836 874.0 0.001144 857.17200 857.16626 885.0 0.001130 856.96027 856.95453 901.0 0.001110 856.74896 856.74335 900.0 0.001111 856.53827 856.53271 937.0 0.001067 856.32800 856.32251 883.0 0.001133 856.11823 856.11279 867.0 0.001153 855.90894 855.90356 848.0 0.001179 855.70013 855.69476 892.0 0.001121 855.49182 855.48651 891.0 0.001122 855.28394 855.27875 937.0 0.001067 855.07660 855.07141 896.0 0.001116 854.86969 854.86456 914.0 0.001094 854.66327 854.65820 884.0 0.001131 854.45734 854.45233 911.0 0.001098 854.25183 854.24689 913.0 0.001095 854.04681 854.04193 859.0 0.001164 853.84229 853.83746 892.0 0.001121 853.63818 853.63342 833.0 0.001200 853.43457 853.42987 881.0 0.001135 853.23145 853.22675 871.0 0.001148 853.02875 853.02411 877.0 0.001140 852.82654 852.82190 838.0 0.001193 852.62476 852.62024 861.0 0.001161 852.42340 852.41895 817.0 0.001224 852.22253 852.21814 837.0 0.001195 852.02216 852.01776 905.0 0.001105 851.82220 851.81787 919.0 0.001088 851.62268 851.61841 889.0 0.001125 851.42365 851.41943 857.0 0.001167 851.22504 851.22089 895.0 0.001117 851.02686 851.02277 854.0 0.001171 850.82916 850.82507 875.0 0.001143 850.63190 850.62787 832.0 0.001202 850.43506 850.43103 873.0 0.001145 850.23865 850.23468 877.0 0.001140 850.04266 850.03882 815.0 0.001227 849.84717 849.84332 818.0 0.001222 849.65210 849.64825 871.0 0.001148 849.45746 849.45367 854.0 0.001171 849.26318 849.25952 850.0 0.001176 849.06940 849.06573 883.0 0.001133 848.87604 848.87244 895.0 0.001117 848.68311 848.67957 862.0 0.001160 848.49060 848.48706 805.0 0.001242 848.29852 848.29504 880.0 0.001136 848.10687 848.10345 836.0 0.001196 847.91565 847.91223 879.0 0.001138 847.72479 847.72144 840.0 0.001190 847.53442 847.53113 863.0 0.001159 847.34442 847.34119 867.0 0.001153 847.15491 847.15167 836.0 0.001196 846.96570 846.96252 927.0 0.001079 846.77698 846.77380 914.0 0.001094 846.58868 846.58557 880.0 0.001136 846.40076 846.39764 856.0 0.001168 846.21326 846.21021 899.0 0.001112 846.02612 846.02319 913.0 0.001095 845.83942 845.83649 907.0 0.001103 845.65314 845.65027 853.0 0.001172 845.46729 845.46442 855.0 0.001170 845.28174 845.27893 853.0 0.001172 845.09668 845.09393 904.0 0.001106 844.91199 844.90924 906.0 0.001104 844.72772 844.72498 899.0 0.001112 844.54382 844.54114 888.0 0.001126 844.36029 844.35767 890.0 0.001124 844.17719 844.17462 896.0 0.001116 843.99451 843.99194 885.0 0.001130 843.81219 843.80969 866.0 0.001155 843.63025 843.62775 887.0 0.001127 843.44867 843.44623 922.0 0.001085 843.26752 843.26514 866.0 0.001155 843.08673 843.08435 883.0 0.001133 842.90637 842.90399 845.0 0.001183 842.72632 842.72406 881.0 0.001135 842.54669 842.54443 938.0 0.001066 842.36743 842.36523 852.0 0.001174 842.18860 842.18640 876.0 0.001142 842.01007 842.02838 885.0 0.001130 841.83197 841.85101 845.0 0.001183 841.65417 841.67407 819.0 0.001221 841.47681 841.50812 858.0 0.001166 841.29980 841.33240 849.0 0.001178 841.12317 841.15704 849.0 0.001178 840.94690 840.98230 846.0 0.001182 840.77100 840.80798 872.0 0.001147 840.59546 840.63403 889.0 0.001125 840.42029 840.46069 843.0 0.001186 840.24548 840.28766 897.0 0.001115 840.07104 840.11517 889.0 0.001125 839.89697 839.94318 904.0 0.001106 839.72321 839.77167 862.0 0.001160 839.54987 839.60071 850.0 0.001176 839.37683 839.43030 836.0 0.001196 839.20422 839.26044 870.0 0.001149 839.03186 839.09100 884.0 0.001131 838.85992 838.92236 830.0 0.001205 838.68835 838.75421 838.0 0.001193 838.51709 838.58661 852.0 0.001174 838.34619 838.41980 831.0 0.001203 838.17566 838.25360 891.0 0.001122 838.00543 838.08826 832.0 0.001202 837.83557 837.92358 860.0 0.001163 837.66608 837.75977 872.0 0.001147 837.49689 837.59692 860.0 0.001163 837.32806 837.43494 895.0 0.001117 837.15961 837.27411 840.0 0.001190 836.99139 837.11450 822.0 0.001217 836.82361 836.95618 875.0 0.001143 836.65607 836.79926 829.0 0.001206 836.48895 836.64398 848.0 0.001179 836.32214 836.49054 821.0 0.001218 836.15564 836.33929 849.0 0.001178 835.98956 836.19055 874.0 0.001144 835.82373 836.04462 889.0 0.001125 835.65820 835.90216 855.0 0.001170 835.49304 835.76379 865.0 0.001156 835.32819 835.63049 875.0 0.001143 835.16370 835.50330 846.0 0.001182 834.99951 835.38385 825.0 0.001212 834.83563 835.27423 846.0 0.001182 834.67212 835.17731 825.0 0.001212 834.50885 835.09735 831.0 0.001203 834.34601 835.04034 879.0 0.001138 834.18341 835.01544 840.0 0.001190 834.02112 835.03760 817.0 0.001224 833.85919 835.13269 852.0 0.001174 833.69751 835.34894 835.0 0.001198 833.53619 835.77588 900.0 0.001111 833.37518 836.56891 842.0 0.001188 833.21448 837.93353 856.0 0.001168 833.05414 839.95453 875.0 0.001143 832.89404 842.63855 880.0 0.001136 832.73425 845.77887 930.0 0.001075 832.57477 848.22052 914.0 0.001094 832.41559 849.74426 915.0 0.001093 832.25671 849.04132 916.0 0.001092 832.09814 846.04468 908.0 0.001101 831.93988 842.46442 851.0 0.001175 831.78192 838.96509 878.0 0.001139 831.62427 836.29883 814.0 0.001229 831.46692 834.58551 854.0 0.001171 831.30988 833.50745 861.0 0.001161 831.15308 832.78961 900.0 0.001111 830.99658 832.26886 838.0 0.001193 830.84039 831.86053 835.0 0.001198 830.68451 831.52148 848.0 0.001179 830.52893 831.22821 847.0 0.001181 830.37366 830.96674 838.0 0.001193 830.21863 830.72815 807.0 0.001239 830.06384 830.50635 836.0 0.001196 829.90942 830.29730 842.0 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638.63202 660.24579 686.0 0.001458 638.61346 661.38849 656.0 0.001524 638.59473 662.42352 684.0 0.001462 638.57574 663.46021 692.0 0.001445 638.55664 664.61462 679.0 0.001473 638.53729 666.01605 683.0 0.001464 638.51776 667.82910 692.0 0.001445 638.49805 670.25287 701.0 0.001427 638.47815 673.50183 704.0 0.001420 638.45801 677.78973 697.0 0.001435 638.43774 683.33612 695.0 0.001439 638.41724 690.35339 711.0 0.001406 638.39648 698.99268 746.0 0.001340 638.37561 709.26740 731.0 0.001368 638.35449 721.08167 766.0 0.001305 638.33319 733.67566 773.0 0.001294 638.31171 745.69501 784.0 0.001276 638.28998 755.01001 736.0 0.001359 638.26807 759.42651 803.0 0.001245 638.24597 757.78247 796.0 0.001256 638.22363 750.65308 738.0 0.001355 638.20111 739.96643 732.0 0.001366 638.17841 727.93054 709.0 0.001410 638.15546 716.20880 682.0 0.001466 638.13232 705.70593 674.0 0.001484 638.10901 696.78705 653.0 0.001531 638.08545 689.30768 655.0 0.001527 638.06171 683.15619 661.0 0.001513 638.03772 678.15863 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637.25037 658.91968 655.0 0.001527 637.21997 658.63531 613.0 0.001631 637.18927 658.82550 660.0 0.001515 637.15845 659.45923 654.0 0.001529 637.12732 660.49048 639.0 0.001565 637.09595 661.82953 662.0 0.001511 637.06445 663.25677 669.0 0.001495 637.03265 664.56287 686.0 0.001458 637.00061 665.34637 655.0 0.001527 636.96838 665.32446 654.0 0.001529 636.93591 664.45129 636.0 0.001572 636.90326 662.94647 647.0 0.001546 636.87030 661.15717 643.0 0.001555 636.83716 659.39545 648.0 0.001543 636.80377 657.86847 652.0 0.001534 636.77014 656.67975 625.0 0.001600 636.73627 655.87128 618.0 0.001618 636.70221 655.45746 617.0 0.001621 636.66785 655.49353 645.0 0.001550 636.63330 655.89941 660.0 0.001515 636.59851 656.74915 672.0 0.001488 636.56348 658.08759 665.0 0.001504 636.52826 659.98096 690.0 0.001449 636.49274 662.50659 678.0 0.001475 636.45703 665.75958 665.0 0.001504 636.42108 669.77777 662.0 0.001511 636.38483 674.74182 680.0 0.001471 636.34839 680.59015 702.0 0.001425 636.31171 687.15710 664.0 0.001506 636.27478 693.99744 677.0 0.001477 636.23761 700.29462 680.0 0.001471 636.20020 704.94269 656.0 0.001524 636.16260 706.93567 712.0 0.001404 636.12469 705.88580 694.0 0.001441 636.08655 702.21289 701.0 0.001427 636.04816 696.81732 687.0 0.001456 636.00952 690.59967 672.0 0.001488 635.97070 684.23193 668.0 0.001497 635.93158 678.16351 666.0 0.001502 635.89221 672.67816 658.0 0.001520 635.85260 667.92450 660.0 0.001515 635.81274 663.94080 676.0 0.001479 635.77264 660.69196 668.0 0.001497 635.73230 658.10693 685.0 0.001460 635.69177 656.10541 670.0 0.001493 635.65088 654.61035 653.0 0.001531 635.60980 653.56219 650.0 0.001538 635.56848 652.91852 638.0 0.001567 635.52686 652.65472 639.0 0.001565 635.48505 652.76849 649.0 0.001541 635.44293 653.26355 644.0 0.001553 635.40057 654.15479 647.0 0.001546 635.35797 655.49341 629.0 0.001590 635.31512 657.29639 677.0 0.001477 635.27203 659.57031 668.0 0.001497 635.22870 662.26556 680.0 0.001471 635.18506 665.23120 691.0 0.001447 635.14117 668.14905 685.0 0.001460 635.09705 670.52863 660.0 0.001515 635.05267 671.81378 667.0 0.001499 635.00800 671.63464 650.0 0.001538 634.96307 670.00616 671.0 0.001490 634.91791 667.30829 646.0 0.001548 634.87250 664.06482 677.0 0.001477 634.82678 660.71210 660.0 0.001515 634.78088 657.55267 688.0 0.001453 634.73468 654.74072 656.0 0.001524 634.68817 652.33344 656.0 0.001524 634.64148 650.32770 657.0 0.001522 634.59448 648.68762 676.0 0.001479 634.54724 647.36932 628.0 0.001592 634.49969 646.32800 639.0 0.001565 634.45190 645.52100 653.0 0.001531 634.40387 644.90698 639.0 0.001565 634.35553 644.48120 662.0 0.001511 634.30695 644.20984 691.0 0.001447 634.25806 644.08319 670.0 0.001493 634.20892 644.08929 668.0 0.001497 634.15961 644.23840 678.0 0.001475 634.10992 644.52362 658.0 0.001520 634.06000 644.94354 651.0 0.001536 634.00977 645.48828 619.0 0.001616 633.95929 646.13062 672.0 0.001488 633.90857 646.82159 666.0 0.001502 633.85754 647.49500 642.0 0.001558 633.80621 648.09467 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632.19727 666.13629 672.0 0.001488 632.13751 670.17365 672.0 0.001488 632.07745 674.70514 702.0 0.001425 632.01709 679.44952 682.0 0.001466 631.95642 683.77924 681.0 0.001468 631.89551 687.12677 695.0 0.001439 631.83423 688.75458 723.0 0.001383 631.77277 688.38470 709.0 0.001410 631.71088 686.32532 696.0 0.001437 631.64874 683.24304 690.0 0.001449 631.58636 679.78699 693.0 0.001443 631.52362 676.32599 642.0 0.001558 631.46063 672.93262 654.0 0.001529 631.39734 669.52124 653.0 0.001531 631.33374 666.03088 683.0 0.001464 631.26978 662.52966 674.0 0.001484 631.20557 659.16895 658.0 0.001520 631.14105 656.10986 663.0 0.001508 631.07623 653.45148 666.0 0.001502 631.01111 651.22186 640.0 0.001563 630.94568 649.40747 641.0 0.001560 630.87994 647.97803 646.0 0.001548 630.81390 646.90686 670.0 0.001493 630.74762 646.18024 652.0 0.001534 630.68091 645.79132 650.0 0.001538 630.61395 645.71002 655.0 0.001527 630.54669 646.01276 685.0 0.001460 630.47913 646.67651 691.0 0.001447 630.41125 647.70905 645.0 0.001550 630.34308 649.10437 634.0 0.001577 630.27454 650.82043 677.0 0.001477 630.20575 652.74493 681.0 0.001468 630.13660 654.65924 690.0 0.001449 630.06720 656.22778 688.0 0.001453 629.99750 657.06482 634.0 0.001577 629.92743 656.88971 642.0 0.001558 629.85706 655.67603 641.0 0.001560 629.78632 653.66125 639.0 0.001565 629.71533 651.20947 602.0 0.001661 629.64404 648.65216 642.0 0.001558 629.57239 646.21136 628.0 0.001592 629.50043 644.00403 624.0 0.001603 629.42816 642.07458 645.0 0.001550 629.35559 640.42395 645.0 0.001550 629.28265 639.03180 645.0 0.001550 629.20947 637.86725 656.0 0.001524 629.13593 636.89648 649.0 0.001541 629.06207 636.08044 645.0 0.001550 628.98785 635.27325 633.0 0.001580 628.91333 634.67676 622.0 0.001608 628.83850 634.15332 605.0 0.001653 628.76337 633.68958 606.0 0.001650 628.68787 633.26099 606.0 0.001650 628.61206 632.89801 650.0 0.001538 628.53595 632.57996 626.0 0.001597 628.45947 632.30438 623.0 0.001605 628.38269 632.06885 634.0 0.001577 628.30560 631.87207 597.0 0.001675 628.22821 631.71313 644.0 0.001553 628.15039 631.59100 649.0 0.001541 628.07233 631.50513 622.0 0.001608 627.99384 631.45471 606.0 0.001650 627.91510 631.43549 623.0 0.001605 627.83606 631.43945 645.0 0.001550 627.75659 631.45270 649.0 0.001541 627.67682 631.45471 672.0 0.001488 627.59674 631.42639 633.0 0.001580 627.51630 631.35577 598.0 0.001672 627.43561 631.24719 595.0 0.001681 627.35455 631.11792 612.0 0.001634 627.27307 631.08789 617.0 0.001621 627.19135 630.98712 624.0 0.001603 627.10919 630.92493 600.0 0.001667 627.02673 630.90802 661.0 0.001513 626.94403 630.93402 636.0 0.001572 626.86090 630.93561 604.0 0.001656 626.77740 631.01636 605.0 0.001653 626.69360 631.11804 625.0 0.001600 626.60944 631.16003 627.0 0.001595 626.52502 631.12329 627.0 0.001595 626.44019 630.98279 622.0 0.001608 626.35504 630.72778 638.0 0.001567 626.26953 630.38080 643.0 0.001555 626.18365 629.98364 598.0 0.001672 626.09741 629.57745 632.0 0.001582 626.01086 629.19214 636.0 0.001572 625.92401 628.86163 627.0 0.001595 625.83673 628.55823 618.0 0.001618 625.74915 628.30005 647.0 0.001546 625.66119 628.08447 615.0 0.001626 625.57288 627.90875 647.0 0.001546 625.48431 627.76605 604.0 0.001656 625.39532 627.65088 626.0 0.001597 625.30603 627.55267 616.0 0.001623 625.21631 627.46051 628.0 0.001592 625.12622 627.36267 588.0 0.001701 625.03583 627.25165 625.0 0.001600 624.94507 627.12732 669.0 0.001495 624.85400 626.99719 619.0 0.001616 624.76251 626.87115 614.0 0.001629 624.67072 626.76001 645.0 0.001550 624.57849 626.66003 635.0 0.001575 624.48596 626.64447 593.0 0.001686 624.39313 626.60144 642.0 0.001558 624.29987 626.57733 622.0 0.001608 624.20630 626.56665 599.0 0.001669 624.11230 626.55933 600.0 0.001667 624.01794 626.54053 582.0 0.001718 623.92328 626.49542 627.0 0.001595 623.82819 626.41626 626.0 0.001597 623.73285 626.26691 625.0 0.001600 623.63702 626.06274 619.0 0.001616 623.54089 625.81952 625.0 0.001600 623.44434 625.55835 622.0 0.001608 623.34747 625.29706 610.0 0.001639 623.25024 624.99115 629.0 0.001590 623.15265 624.75989 639.0 0.001565 623.05475 624.54730 631.0 0.001585 622.95636 624.36182 635.0 0.001575 622.85760 624.18378 639.0 0.001565 622.75854 624.01996 610.0 0.001639 622.65906 623.86859 593.0 0.001686 622.55933 623.72748 604.0 0.001656 622.45911 623.59363 610.0 0.001639 622.35852 623.46613 635.0 0.001575 622.25757 623.34320 596.0 0.001678 622.15631 623.22491 627.0 0.001595 622.05457 623.11011 630.0 0.001587 621.95258 622.99890 612.0 0.001634 621.85010 622.88702 614.0 0.001629 621.74725 622.78339 616.0 0.001623 621.64410 622.68341 587.0 0.001704 621.54047 622.58673 627.0 0.001595 621.43658 622.49310 605.0 0.001653 621.33228 622.40259 616.0 0.001623 621.22754 622.31189 660.0 0.001515 621.12244 622.12683 566.0 0.001767 621.01691 622.03430 605.0 0.001653 620.91113 621.93744 636.0 0.001572 620.80487 621.83679 671.0 0.001490 620.69830 621.73401 631.0 0.001585 620.59131 621.63043 628.0 0.001592 620.48389 621.52802 604.0 0.001656 620.37610 621.39893 625.0 0.001600 620.26794 621.30273 610.0 0.001639 620.15942 621.21039 625.0 0.001600 620.05048 621.12238 617.0 0.001621 619.94116 621.03857 624.0 0.001603 619.83142 620.96014 616.0 0.001623 619.72137 620.88745 631.0 0.001585 619.61084 620.81946 636.0 0.001572 619.49994 620.76086 629.0 0.001590 619.38873 620.71136 629.0 0.001590 619.27704 620.67218 _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 146.618 647.868 180.00 7.07843 1.25 2 0 0 2 o 562.186 647.868 180.00 7.07843 1.04 1 1 0 1 o 1540.229 45.912 180.00 5.29715 2.42 1 1 0 2 o 1385.290 45.912 180.00 5.29715 1.09 1 1 1 1 o 1973.641 1907.976 0.00 3.65010 3.31 1 1 1 2 o 1847.169 1907.976 0.00 3.65010 1.57 3 1 0 1 o 32360.723 33218.824 0.00 3.63805 28.28 3 1 0 2 o 32019.781 33218.824 0.00 3.63805 13.92 4 0 0 1 o 10049.324 7265.419 180.00 3.53922 5.90 4 0 0 2 o 9733.324 7265.419 180.00 3.53922 2.85 2 1 1 1 o 2780.742 75.982 0.00 3.33286 3.34 2 1 1 2 o 3241.566 75.982 0.00 3.33286 1.94 3 1 1 1 o 98115.04 93565.52 180.00 2.94918 100.00 3 1 1 2 o 95907.83 93565.52 180.00 2.94918 48.60 0 2 0 1 o 42861.13 31637.877 180.00 2.85604 8.69 0 2 0 2 o 47034.33 31637.877 180.00 2.85604 4.76 2 2 0 1 o -272.068 1324.737 0.00 2.64858 0.00 2 2 0 2 o -272.068 1324.737 0.00 2.64858 0.00 4 1 1 1 o -0.141 0.205 180.00 2.58284 0.00 4 1 1 2 o -0.141 0.205 180.00 2.58284 0.00 5 1 0 1 o 15.253 14.820 0.00 2.53682 0.00 5 1 0 2 o 15.750 14.820 0.00 2.53682 0.00 0 0 2 1 o 72670.75 75066.40 180.00 2.51836 9.47 0 0 2 2 o 70490.21 75066.40 180.00 2.51836 4.56 0 2 1 1 o 36172.39 39123.39 180.00 2.48442 10.34 1 0 2 1 o 205.981 230.966 180.00 2.47944 0.06 0 2 1 2 o 34666.250 39123.39 180.00 2.48442 4.91 1 0 2 2 o 173.576 230.966 180.00 2.47944 0.02 1 2 1 1 o 0.083 16.353 180.00 2.44702 0.00 1 2 1 2 o 6.286 16.353 180.00 2.44702 0.00 2 0 2 1 o 360.260 345.620 0.00 2.37267 0.19 2 0 2 2 o 316.051 345.620 0.00 2.37267 0.09 6 0 0 1 o 41468.72 43546.33 0.00 2.35948 9.16 6 0 0 2 o 38473.03 43546.33 0.00 2.35948 4.20 2 2 1 1 o -7.566 1.719 180.00 2.34422 0.01 2 2 1 2 o -23.254 1.719 180.00 2.34422 0.00 1 1 2 1 o -180.472 417.667 0.00 2.27441 0.00 1 1 2 2 o 85.707 417.667 0.00 2.27441 0.06 5 1 1 1 o -3.740 0.363 180.00 2.26567 0.03 5 1 1 2 o -37.758 0.363 180.00 2.26567 0.00 4 2 0 1 o 2844.916 3597.253 0.00 2.22262 1.07 3 0 2 1 o 6387.734 7729.440 0.00 2.22178 1.73 4 2 0 2 o 3002.550 3597.253 0.00 2.22262 0.56 3 0 2 2 o 6588.894 7729.440 0.00 2.22178 0.89 3 2 1 1 o 8082.058 7051.367 180.00 2.19836 4.65 3 2 1 2 o 6556.655 7051.367 180.00 2.19836 1.88 2 1 2 1 o 16.890 28.128 0.00 2.19116 0.01 2 1 2 2 o 0.078 28.128 0.00 2.19116 0.00 3 1 2 1 o 14281.849 15176.072 180.00 2.07066 6.16 3 1 2 2 o 13771.817 15176.072 180.00 2.07066 2.95 4 0 2 1 o 3433.632 4246.083 0.00 2.05192 1.10 4 0 2 2 o 2553.523 4246.083 0.00 2.05192 0.44 4 2 1 1 o 970.546 1162.698 0.00 2.03343 0.76 4 2 1 2 o 312.954 1162.698 0.00 2.03343 0.21 6 1 1 1 o 171.734 360.094 180.00 2.00123 0.11 6 1 1 2 o 288.458 360.094 180.00 2.00123 0.09 4 1 2 1 o 449.114 101.857 180.00 1.93110 0.20 4 1 2 2 o 339.362 101.857 180.00 1.93110 0.07 7 1 0 1 o 1976.715 522.298 180.00 1.90644 0.66 7 1 0 2 o 1510.603 522.298 180.00 1.90644 0.26 0 2 2 1 o 38055.98 36589.22 0.00 1.88891 6.36 1 3 0 1 o 2414.874 2469.367 0.00 1.88704 0.62 0 2 2 2 o 33828.063 36589.22 0.00 1.88891 2.80 1 3 0 2 o 2162.177 2469.367 0.00 1.88704 0.28 5 0 2 1 o 126.333 142.908 0.00 1.88173 0.03 5 0 2 2 o 66.945 142.908 0.00 1.88173 0.01 1 2 2 1 o 117.593 105.071 0.00 1.87232 0.04 1 2 2 2 o 68.315 105.071 0.00 1.87232 0.01 5 2 1 1 o 34.508 48.738 0.00 1.86744 0.02 5 2 1 2 o 102.429 48.738 0.00 1.86744 0.02 2 2 2 1 o 380.859 516.853 180.00 1.82505 0.18 2 2 2 2 o 384.932 516.853 180.00 1.82505 0.09 6 2 0 1 o 29185.615 36604.58 180.00 1.81902 6.82 6 2 0 2 o 27677.479 36604.58 180.00 1.81902 3.21 5 1 2 1 o 390.422 533.651 180.00 1.78724 0.09 7 1 1 1 o 4907.926 6882.583 0.00 1.78299 3.00 5 1 2 2 o 443.075 533.651 180.00 1.78724 0.06 7 1 1 2 o 6129.416 6882.583 0.00 1.78299 1.80 8 0 0 1 o 1260.809 1064.446 0.00 1.76961 0.12 1 3 1 1 o 1933.626 1781.031 180.00 1.76709 0.63 3 3 0 1 o 75301.63 71473.63 180.00 1.76572 12.97 8 0 0 2 o 1099.316 1064.446 0.00 1.76961 0.05 1 3 1 2 o 1809.084 1781.031 180.00 1.76709 0.29 3 3 0 2 o 73433.47 71473.63 180.00 1.76572 6.28 3 2 2 1 o 428.567 367.958 0.00 1.75364 0.14 3 2 2 2 o 439.250 367.958 0.00 1.75364 0.07 2 3 1 1 o 120.531 93.041 180.00 1.72718 0.04 2 3 1 2 o 96.857 93.041 180.00 1.72718 0.02 6 0 2 1 o 91264.54 87917.10 180.00 1.72183 17.48 6 0 2 2 o 87824.41 87917.10 180.00 1.72183 8.36 6 2 1 1 o 54462.37 56608.82 180.00 1.71087 21.28 6 2 1 2 o 53598.99 56608.82 180.00 1.71087 10.41 4 2 2 1 o 3415.576 2936.784 180.00 1.66643 1.20 3 3 1 1 o 4680.370 4095.277 0.00 1.66629 1.49 4 2 2 2 o 3456.231 2936.784 180.00 1.66643 0.60 3 3 1 2 o 4931.820 4095.277 0.00 1.66629 0.78 6 1 2 2 o 1173.198 260.270 0.00 1.64857 0.21 6 1 2 1 o 936.095 260.270 0.00 1.64857 0.34 8 1 1 1 o 519.501 84.515 0.00 1.60251 0.22 1 1 3 1 o 7728.668 1616.532 180.00 1.60045 1.94 8 1 1 2 o 266.407 84.515 0.00 1.60251 0.05 1 1 3 2 o 4869.597 1616.532 180.00 1.60045 0.63 4 3 1 1 o 4.541 0.874 180.00 1.59093 0.00 4 3 1 2 o 11.828 0.874 180.00 1.59093 0.00 5 3 0 1 o 397.957 350.067 180.00 1.58000 0.03 7 0 2 1 o 170.388 208.577 180.00 1.57688 0.03 5 3 0 2 o 294.506 350.067 180.00 1.58000 0.01 7 0 2 2 o 175.952 208.577 180.00 1.57688 0.02 5 2 2 1 o 81.198 41.233 180.00 1.57133 0.02 2 1 3 1 o 1283.349 632.520 180.00 1.57062 0.30 7 2 1 1 o 0.293 0.136 180.00 1.56844 0.00 5 2 2 2 o 59.919 41.233 180.00 1.57133 0.01 2 1 3 2 o 438.249 632.520 180.00 1.57062 0.05 7 2 1 2 o -0.047 0.136 180.00 1.56844 0.00 3 1 3 1 o 57166.08 51088.26 0.00 1.52441 12.62 3 1 3 2 o 55614.82 51088.26 0.00 1.52441 6.10 7 1 2 1 o 295.657 258.971 0.00 1.52002 0.14 9 1 0 1 o 5909.928 5675.084 0.00 1.51653 1.05 7 1 2 2 o 279.157 258.971 0.00 1.52002 0.06 9 1 0 2 o 6524.660 5675.084 0.00 1.51653 0.58 1 3 2 1 o 1042.465 720.462 180.00 1.51013 0.34 5 3 1 1 o 522.121 467.385 180.00 1.50756 0.14 1 3 2 2 o 772.766 720.462 180.00 1.51013 0.14 8 2 0 1 o 123.347 127.618 180.00 1.50426 0.01 5 3 1 2 o 472.285 467.385 180.00 1.50756 0.06 8 2 0 2 o 139.038 127.618 180.00 1.50426 0.01 2 3 2 1 o 17.185 4.512 180.00 1.48500 0.00 2 3 2 2 o 12.978 4.512 180.00 1.48500 0.00 6 2 2 1 o 21171.730 18338.980 0.00 1.47459 5.63 6 2 2 2 o 19513.914 18338.980 0.00 1.47459 2.57 4 1 3 1 o 40.385 41.720 0.00 1.46608 0.01 4 1 3 2 o 59.871 41.720 0.00 1.46608 0.01 9 1 1 1 o 47119.63 44386.33 180.00 1.45214 15.43 9 1 1 2 o 46244.29 44386.33 180.00 1.45214 7.53 8 0 2 1 o 1007.785 984.279 180.00 1.44789 0.10 0 2 3 1 o 56817.75 55161.89 0.00 1.44736 5.33 3 3 2 1 o 50179.80 49795.57 0.00 1.44576 10.59 8 0 2 2 o 962.706 984.279 180.00 1.44789 0.05 0 2 3 2 o 52533.38 55161.89 0.00 1.44736 2.44 3 3 2 2 o 46796.57 49795.57 0.00 1.44576 4.89 8 2 1 1 o 744.872 773.524 180.00 1.44135 0.14 1 2 3 1 o 150.767 153.358 0.00 1.43985 0.03 8 2 1 2 o 828.912 773.524 180.00 1.44135 0.08 1 2 3 2 o 176.820 153.358 0.00 1.43985 0.02 0 4 0 1 o 8988.892 8862.987 180.00 1.42802 0.45 0 4 0 2 o 7300.768 8862.987 180.00 1.42802 0.18 6 3 1 1 o 342.841 213.988 180.00 1.42151 0.09 2 2 3 1 o 19.652 18.310 180.00 1.41802 0.02 6 3 1 2 o 219.566 213.988 180.00 1.42151 0.03 10 0 0 1 o 7467.697 5553.439 180.00 1.41569 0.75 2 2 3 2 o 69.216 18.310 180.00 1.41802 0.02 10 0 0 2 o 11010.596 5553.439 180.00 1.41569 0.53 8 1 2 1 o 13.143 5.019 0.00 1.40351 0.00 5 1 3 1 o 30.254 3.297 0.00 1.40006 0.01 8 1 2 2 o 11.949 5.019 0.00 1.40351 0.00 2 4 0 1 o 942.000 493.597 180.00 1.39982 0.08 5 1 3 2 o -13.967 3.297 0.00 1.40006 0.00 2 4 0 2 o 153.182 493.597 180.00 1.39982 0.00 4 3 2 1 o 11.378 358.535 0.00 1.39571 0.00 4 3 2 2 o 3.287 358.535 0.00 1.39571 0.00 7 3 0 1 o 4661.550 2415.737 0.00 1.38631 0.71 3 2 3 1 o 28.152 19.250 0.00 1.38373 0.01 7 3 0 2 o 3285.790 2415.737 0.00 1.38631 0.26 7 2 2 1 o 36.602 24.580 0.00 1.38045 0.01 3 2 3 2 o 30.135 19.250 0.00 1.38373 0.00 7 2 2 2 o 31.233 24.580 0.00 1.38045 0.00 0 4 1 1 o 49994.69 51584.16 0.00 1.37387 4.74 0 4 1 2 o 43596.26 51584.16 0.00 1.37387 2.04 1 4 1 1 o 7.494 8.192 0.00 1.36745 0.00 1 4 1 2 o 7.400 8.192 0.00 1.36745 0.00 2 4 1 1 o -282.696 531.297 180.00 1.34870 0.00 2 4 1 2 o -282.696 531.297 180.00 1.34870 0.00 4 2 3 1 o 582.703 779.429 180.00 1.33966 0.18 5 3 2 1 o 46.078 49.492 0.00 1.33840 0.00 7 3 1 1 o 1380.982 1498.514 180.00 1.33661 0.33 4 2 3 2 o 685.190 779.429 180.00 1.33966 0.10 5 3 2 2 o 48.508 49.492 0.00 1.33840 0.00 9 0 2 1 o 1514.082 1645.273 180.00 1.33413 0.21 7 3 1 2 o 1476.552 1498.514 180.00 1.33661 0.17 9 0 2 2 o 1781.290 1645.273 180.00 1.33413 0.12 6 1 3 1 o 29.113 26.859 0.00 1.33033 0.01 9 2 1 1 o 1210.138 1018.218 0.00 1.32900 0.34 6 1 3 2 o 32.881 26.859 0.00 1.33033 0.00 9 2 1 2 o 518.868 1018.218 0.00 1.32900 0.08 10 1 1 1 o 21.623 42.566 180.00 1.32566 0.01 4 4 0 1 o 150.168 497.116 180.00 1.32429 0.00 10 1 1 2 o -0.611 42.566 180.00 1.32566 0.00 4 4 0 2 o 150.168 497.116 180.00 1.32429 0.00 3 4 1 1 o 125.890 445.699 180.00 1.31910 0.03 3 4 1 2 o 538.563 445.699 180.00 1.31910 0.05 9 1 2 1 o 6166.603 9250.965 180.00 1.29916 1.41 9 1 2 2 o 8430.047 9250.965 180.00 1.29916 0.99 8 2 2 1 o 6.701 6.635 0.00 1.29142 0.00 5 2 3 1 o 21.591 204.119 180.00 1.28874 0.00 8 2 2 2 o 5.134 6.635 0.00 1.29142 0.00 5 2 3 2 o -0.965 204.119 180.00 1.28874 0.00 4 4 1 1 o 2623.809 3292.267 180.00 1.28076 0.62 4 4 1 2 o 5189.753 3292.267 180.00 1.28076 0.55 6 3 2 1 o 14.964 8.640 180.00 1.27709 0.00 6 3 2 2 o -0.663 8.640 180.00 1.27709 0.00 10 2 0 1 o 3817.380 3868.701 0.00 1.26841 0.56 10 2 0 2 o 3872.622 3868.701 0.00 1.26841 0.28 7 1 3 1 o 2982.471 3019.826 180.00 1.25997 0.72 0 0 4 1 o 31586.186 33658.223 0.00 1.25918 1.06 7 1 3 2 o 2365.308 3019.826 180.00 1.25997 0.30 0 0 4 2 o 27708.484 33658.223 0.00 1.25918 0.46 11 1 0 1 o 713.805 859.328 0.00 1.25551 0.07 8 3 1 1 o 18.390 24.850 0.00 1.25532 0.00 1 3 3 1 o 330.760 979.701 0.00 1.25432 0.05 1 0 4 1 o 83.734 305.556 0.00 1.25423 0.01 11 1 0 2 o 178.502 859.328 0.00 1.25551 0.00 8 3 1 2 o -1.199 24.850 0.00 1.25532 0.00 1 3 3 2 o 21.850 979.701 0.00 1.25432 0.00 1 0 4 2 o 0.115 305.556 0.00 1.25423 0.00 0 4 2 1 o 193.821 813.528 0.00 1.24221 0.00 2 3 3 1 o 9.195 10.957 180.00 1.23981 0.00 2 0 4 1 o 94.521 117.836 180.00 1.23972 0.02 0 4 2 2 o 1135.710 813.528 0.00 1.24221 0.04 1 4 2 1 o 15.050 6.727 0.00 1.23746 0.00 2 3 3 2 o 19.216 10.957 180.00 1.23981 0.00 2 0 4 2 o 304.918 117.836 180.00 1.23972 0.02 5 4 1 1 o 105.857 77.352 180.00 1.23604 0.02 1 4 2 2 o 6.295 6.727 0.00 1.23746 0.00 10 0 2 1 o 4639.219 5331.346 0.00 1.23406 0.68 6 2 3 1 o 12135.779 13848.104 0.00 1.23373 1.96 5 4 1 2 o 66.315 77.352 180.00 1.23604 0.01 10 0 2 2 o 4564.409 5331.346 0.00 1.23406 0.33 6 2 3 2 o 12801.572 13848.104 0.00 1.23373 1.04 10 2 1 1 o 2283.292 2494.529 0.00 1.23001 0.71 10 2 1 2 o 2555.865 2494.529 0.00 1.23001 0.39 1 1 4 1 o 0.419 1.271 0.00 1.22505 0.00 2 4 2 1 o 185.972 615.440 0.00 1.22351 0.00 1 1 4 2 o -3.213 1.271 0.00 1.22505 0.00 6 4 0 1 o 58.258 133.798 180.00 1.22169 0.00 2 4 2 2 o 175.750 615.440 0.00 1.22351 0.00 6 4 0 2 o 120.589 133.798 180.00 1.22169 0.00 11 1 1 1 o 1172.659 1270.354 180.00 1.21824 0.21 3 3 3 1 o 1322.229 1436.021 180.00 1.21670 0.21 3 0 4 1 o 1066.693 1156.753 0.00 1.21662 0.08 11 1 1 2 o 1157.398 1270.354 180.00 1.21824 0.10 7 3 2 1 o 2872.455 3253.194 180.00 1.21446 0.71 3 3 3 2 o 1286.621 1436.021 180.00 1.21670 0.10 3 0 4 2 o 1036.354 1156.753 0.00 1.21662 0.04 9 3 0 1 o 27358.025 30027.439 180.00 1.21268 2.83 2 1 4 1 o 1.232 1.380 180.00 1.21151 0.00 7 3 2 2 o 2913.881 3253.194 180.00 1.21446 0.36 9 3 0 2 o 30284.977 30027.439 180.00 1.21268 1.57 9 2 2 1 o 30.682 28.138 180.00 1.20875 0.01 2 1 4 2 o 1.572 1.380 180.00 1.21151 0.00 10 1 2 1 o 0.289 0.405 0.00 1.20624 0.00 9 2 2 2 o 20.066 28.138 180.00 1.20875 0.00 10 1 2 2 o 0.474 0.405 0.00 1.20624 0.00 3 4 2 1 o 1070.659 741.849 180.00 1.20129 0.18 3 4 2 2 o 682.071 741.849 180.00 1.20129 0.06 3 1 4 1 o 8315.332 6449.484 0.00 1.18992 1.11 8 1 3 2 o 114.346 95.058 180.00 1.19119 0.01 8 1 3 1 o 126.540 95.058 180.00 1.19119 0.02 6 4 1 1 o 32994.172 29654.631 0.00 1.18727 5.68 3 1 4 2 o 7101.684 6449.484 0.00 1.18992 0.47 4 3 3 1 o 139.305 126.719 180.00 1.18641 0.02 4 0 4 1 o 2081.432 1851.617 180.00 1.18634 0.19 6 4 1 2 o 30679.770 29654.631 0.00 1.18727 2.62 4 3 3 2 o 124.190 126.719 180.00 1.18641 0.01 4 0 4 2 o 1806.374 1851.617 180.00 1.18634 0.09 12 0 0 1 o 45975.31 41251.41 0.00 1.17974 2.80 9 3 1 1 o 980.326 969.971 0.00 1.17899 0.21 7 2 3 1 o 32.860 29.571 0.00 1.17700 0.01 12 0 0 2 o 45605.13 41251.41 0.00 1.17974 1.38 9 3 1 2 o 953.497 969.971 0.00 1.17899 0.10 7 2 3 2 o 8.094 29.571 0.00 1.17700 0.00 4 4 2 1 o 108.124 302.098 0.00 1.17211 0.00 4 4 2 2 o 108.124 302.098 0.00 1.17211 0.00 4 1 4 1 o -1.360 107.880 0.00 1.16155 0.00 4 1 4 2 o -1.360 107.880 0.00 1.16155 0.00 8 3 2 1 o 93.605 175.213 180.00 1.15252 0.02 0 2 4 1 o 8796.880 14321.825 180.00 1.15217 0.53 5 3 3 1 o 61.944 153.091 0.00 1.15061 0.01 5 0 4 1 o 130.223 372.001 180.00 1.15054 0.01 8 3 2 2 o 87.725 175.213 180.00 1.15252 0.01 0 2 4 2 o 8609.158 14321.825 180.00 1.15217 0.26 1 2 4 1 o 52.760 109.897 180.00 1.14838 0.01 5 3 3 2 o 50.867 153.091 0.00 1.15061 0.00 5 0 4 2 o 103.465 372.001 180.00 1.15054 0.00 11 0 2 1 o -0.245 107.002 0.00 1.14601 0.00 1 2 4 2 o 0.070 109.897 180.00 1.14838 0.00 11 0 2 2 o -0.245 107.002 0.00 1.14601 0.00 11 2 1 1 o -0.160 21.970 0.00 1.14276 0.00 11 2 1 2 o -0.160 21.970 0.00 1.14276 0.00 1 5 0 1 o -240.727 2125.057 180.00 1.13872 0.00 5 4 2 1 o 0.547 5.620 0.00 1.13755 0.00 2 2 4 1 o 51.918 361.031 0.00 1.13721 0.02 7 4 1 1 o 5.929 17.980 0.00 1.13645 0.00 1 5 0 2 o 206.770 2125.057 180.00 1.13872 0.02 5 4 2 2 o -0.136 5.620 0.00 1.13755 0.00 2 2 4 2 o -44.723 361.031 0.00 1.13721 0.00 7 4 1 2 o 8.973 17.980 0.00 1.13645 0.00 10 2 2 1 o 1481.490 3021.690 180.00 1.13284 0.37 10 2 2 2 o 2032.016 3021.690 180.00 1.13284 0.24 5 1 4 1 o 4.355 3.466 0.00 1.12788 0.00 12 1 1 1 o 79.333 83.416 0.00 1.12611 0.02 9 1 3 1 o 19294.455 21108.092 0.00 1.12539 3.31 5 1 4 2 o 2.991 3.466 0.00 1.12788 0.00 11 1 2 1 o 222.591 227.433 180.00 1.12362 0.03 12 1 1 2 o 80.971 83.416 0.00 1.12611 0.01 9 1 3 2 o 18681.332 21108.092 0.00 1.12539 1.60 11 1 2 2 o 169.859 227.433 180.00 1.12362 0.01 8 2 3 1 o 410.054 506.399 0.00 1.12035 0.04 3 2 4 1 o 33.914 44.498 0.00 1.11929 0.00 8 2 3 2 o 411.452 506.399 0.00 1.12035 0.02 3 2 4 2 o 57.870 44.498 0.00 1.11929 0.00 8 4 0 1 o 766.398 685.388 180.00 1.11131 0.06 6 3 3 1 o 0.376 0.338 180.00 1.11095 0.00 6 0 4 1 o 40013.32 36299.94 0.00 1.11089 2.82 1 5 1 1 o 101.676 99.375 0.00 1.11068 0.00 3 5 0 1 o 18593.688 17188.336 0.00 1.11034 1.36 8 4 0 2 o 713.630 685.388 180.00 1.11131 0.03 10 3 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15 1 2 2 o 1744.516 1882.129 180.00 0.87338 0.24 13 2 3 1 o 25.933 32.870 0.00 0.87019 0.01 6 6 1 1 o 1692.210 2454.251 180.00 0.86960 0.39 13 2 3 2 o 29.037 32.870 0.00 0.87019 0.00 9 5 2 1 o 7078.637 7937.143 180.00 0.86775 1.62 6 6 1 2 o 2286.865 2454.251 180.00 0.86960 0.26 9 5 2 2 o 9114.272 7937.143 180.00 0.86775 1.07 8 1 5 1 o 349.113 281.720 0.00 0.86534 0.08 4 6 2 1 o 830.360 426.251 0.00 0.86359 0.23 4 3 5 1 o 5.294 3.400 0.00 0.86350 0.00 8 1 5 2 o 411.535 281.720 0.00 0.86534 0.04 10 4 3 1 o 4247.839 3024.433 0.00 0.86255 1.19 16 1 1 1 o 0.110 0.086 180.00 0.86149 0.00 4 6 2 2 o 598.949 426.251 0.00 0.86359 0.09 4 3 5 2 o 4.183 3.400 0.00 0.86350 0.00 12 3 3 1 o 5.648 4.849 180.00 0.86095 0.00 12 0 4 1 o 13501.837 11780.072 0.00 0.86092 1.68 10 4 3 2 o 3452.872 3024.433 0.00 0.86255 0.50 7 2 5 1 o 113.799 94.090 180.00 0.85985 0.02 16 1 1 2 o 0.114 0.086 180.00 0.86149 0.00 12 3 3 2 o 4.773 4.849 180.00 0.86095 0.00 12 0 4 2 o 11291.259 11780.072 0.00 0.86092 0.70 11 2 4 1 o 41.503 61.060 0.00 0.85843 0.01 7 2 5 2 o 12.857 94.090 180.00 0.85985 0.00 14 1 3 1 o -1.243 127.457 180.00 0.85643 0.00 11 2 4 2 o 0.091 61.060 0.00 0.85843 0.00 7 5 3 1 o -46.163 7.004 0.00 0.85577 0.00 7 4 4 1 o -0.051 2.359 180.00 0.85574 0.00 11 5 0 1 o 15.462 26.605 0.00 0.85437 0.00 14 1 3 2 o -1.243 127.457 180.00 0.85643 0.00 12 4 2 1 o 104.746 417.776 0.00 0.85543 0.00 7 5 3 2 o -46.163 7.004 0.00 0.85577 0.00 7 4 4 2 o -0.051 2.359 180.00 0.85574 0.00 13 4 1 1 o 0.004 1.778 0.00 0.85341 0.00 12 4 2 2 o 104.746 417.776 0.00 0.85543 0.00 11 5 0 2 o 15.462 26.605 0.00 0.85437 0.00 12 1 4 1 o -1.301 12.500 180.00 0.85130 0.00 13 4 1 2 o 0.004 1.778 0.00 0.85341 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 7.078 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#