data_WONG734_publ _pd_block_id 2015-08-17T10:47|WONG734|James_A._Kaduk|d2 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2015-08-17T10:47 _audit_author_name "James A. Kaduk" _audit_update_record ; 2015-08-17T10:47 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 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 33 _refine_ls_goodness_of_fit_all 1.26 _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 "(Ni0.6 Zn0.4) Co Nb4 O12" _cell_length_a 14.12851(13) _cell_length_b 5.70393(5) _cell_length_c 5.03468(5) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 405.735(7) _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 0.1596(10) 0.25 0.3 Uiso 0.0191(21) 4 Zn Zn2 0.0 0.1596(10) 0.25 0.2 Uiso 0.0191(21) 4 Co Co3 0.0 0.1596(10) 0.25 0.5 Uiso 0.0191(21) 4 Nb Nb4 0.15984(20) 0.31879(32) 0.7457(16) 1.0 Uiso 0.0113(5) 8 O O5 0.1037(6) 0.3620(14) 0.3737(20) 1.0 Uiso 0.0023(18) 8 O O6 0.0721(6) 0.0979(14) 0.9217(13) 1.0 Uiso 0.0023(18) 8 O O7 0.2654(7) 0.1127(15) 0.5937(23) 1.0 Uiso 0.0023(18) 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Co0.25 Nb Ni0.15 O3 Zn0.10" _chemical_formula_weight 170.98 _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 1.967(5) . 1_555 N Ni1 O5 1.967(5) . -3_555 N Ni1 O6 1.973(5) . 1_554 N Ni1 O6 1.985(5) . 3_554 N Ni1 O6 1.985(5) . -1_556 N Ni1 O6 1.973(5) . -3_556 N Zn2 Zn2 3.107(7) . 3_554 N Zn2 Zn2 3.107(7) . 3_555 N Zn2 O5 1.967(5) . 1_555 N Zn2 O5 1.967(5) . -3_555 N Zn2 O6 1.973(5) . 1_554 N Zn2 O6 1.985(5) . 3_554 N Zn2 O6 1.985(5) . -1_556 N Zn2 O6 1.973(5) . -3_556 N Co3 O5 1.967(5) . 1_555 N Co3 O5 1.967(5) . -3_555 N Co3 O6 1.973(5) . 1_554 N Co3 O6 1.985(5) . 3_554 N Co3 O6 1.985(5) . -1_556 N Co3 O6 1.973(5) . -3_556 N Nb4 Nb4 3.2573(23) . 3_564 N Nb4 Nb4 3.2573(23) . 3_565 N Nb4 O5 2.049(6) . 1_555 N Nb4 O5 2.088(6) . 3_565 N Nb4 O6 1.977(6) . 1_555 N Nb4 O7 2.048(6) . 1_555 N Nb4 O7 2.124(6) . 2_555 N Nb4 O7 2.083(6) . 4_555 N O5 Ni1 1.967(5) . 1_555 N O5 Zn2 1.967(5) . 1_555 N O5 Co3 1.967(5) . 1_555 N O5 Nb4 2.049(6) . 1_555 N O5 Nb4 2.088(6) . 3_564 N O6 Ni1 1.973(5) . 1_556 N O6 Ni1 1.985(5) . 3_555 N O6 Zn2 1.973(5) . 1_556 N O6 Zn2 1.985(5) . 3_555 N O6 Co3 1.973(5) . 1_556 N O6 Co3 1.985(5) . 3_555 N O6 Nb4 1.977(6) . 1_555 N O7 Nb4 2.048(6) . 1_555 N O7 Nb4 2.124(6) . 2_545 N O7 Nb4 2.083(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 108.1(7) 1_555 . -3_556 N O5 Ni1 O6 89.2(4) 1_555 . 1_554 N O5 Ni1 O6 85.1(4) 1_555 . 3_554 N O5 Ni1 O6 162.6(5) 1_555 . -1_556 N O5 Ni1 O6 102.9(4) 1_555 . -3_557 N O5 Ni1 O6 102.9(4) -3_556 . 1_554 N O5 Ni1 O6 162.6(5) -3_556 . 3_554 N O5 Ni1 O6 85.1(4) -3_556 . -1_556 N O5 Ni1 O6 89.2(4) -3_556 . -3_557 N O6 Ni1 O6 88.16(30) 1_554 . 3_554 N O6 Ni1 O6 76.59(31) 1_554 . -1_556 N O6 Ni1 O6 159.4(6) 1_554 . -3_557 N O6 Ni1 O6 84.6(7) 3_554 . -1_556 N O6 Ni1 O6 76.59(31) 3_554 . -3_557 N O6 Ni1 O6 88.16(30) -1_556 . -3_557 N O5 Zn2 O5 108.1(7) 1_555 . -3_556 N O5 Zn2 O6 89.2(4) 1_555 . 1_554 N O5 Zn2 O6 85.1(4) 1_555 . 3_554 N O5 Zn2 O6 162.6(5) 1_555 . -1_556 N O5 Zn2 O6 102.9(4) 1_555 . -3_557 N O5 Zn2 O6 102.9(4) -3_556 . 1_554 N O5 Zn2 O6 162.6(5) -3_556 . 3_554 N O5 Zn2 O6 85.1(4) -3_556 . -1_556 N O5 Zn2 O6 89.2(4) -3_556 . -3_557 N O6 Zn2 O6 88.16(30) 1_554 . 3_554 N O6 Zn2 O6 76.59(31) 1_554 . -1_556 N O6 Zn2 O6 159.4(6) 1_554 . -3_557 N O6 Zn2 O6 84.6(7) 3_554 . -1_556 N O6 Zn2 O6 76.59(31) 3_554 . -3_557 N O6 Zn2 O6 88.16(30) -1_556 . -3_557 N O5 Co3 O5 108.1(7) 1_555 . -3_556 N O5 Co3 O6 89.2(4) 1_555 . 1_554 N O5 Co3 O6 85.1(4) 1_555 . 3_554 N O5 Co3 O6 162.6(5) 1_555 . -1_556 N O5 Co3 O6 102.9(4) 1_555 . -3_557 N O5 Co3 O6 102.9(4) -3_556 . 1_554 N O5 Co3 O6 162.6(5) -3_556 . 3_554 N O5 Co3 O6 85.1(4) -3_556 . -1_556 N O5 Co3 O6 89.2(4) -3_556 . -3_557 N O6 Co3 O6 88.16(30) 1_554 . 3_554 N O6 Co3 O6 76.59(31) 1_554 . -1_556 N O6 Co3 O6 159.4(6) 1_554 . -3_557 N O6 Co3 O6 84.6(7) 3_554 . -1_556 N O6 Co3 O6 76.59(31) 3_554 . -3_557 N O6 Co3 O6 88.16(30) -1_556 . -3_557 N O5 Nb4 O5 91.73(31) 1_555 . 3_565 N O5 Nb4 O6 104.1(4) 1_555 . 1_555 N O5 Nb4 O7 90.6(5) 1_555 . 1_555 N O5 Nb4 O7 76.60(23) 1_555 . 2_555 N O5 Nb4 O7 160.5(4) 1_555 . 4_555 N O5 Nb4 O6 100.3(5) 3_565 . 1_555 N O5 Nb4 O7 153.2(4) 3_565 . 1_555 N O5 Nb4 O7 67.2(4) 3_565 . 2_555 N O5 Nb4 O7 76.66(23) 3_565 . 4_555 N O6 Nb4 O7 104.97(32) 1_555 . 1_555 N O6 Nb4 O7 167.5(4) 1_555 . 2_555 N O6 Nb4 O7 93.5(5) 1_555 . 4_555 N O7 Nb4 O7 87.50(21) 1_555 . 2_555 N O7 Nb4 O7 93.02(24) 1_555 . 4_555 N O7 Nb4 O7 84.43(32) 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 120.5(4) 1_555 . 1_555 N Ni1 O5 Nb4 134.2(4) 1_555 . 3_564 N Zn2 O5 Co3 0.0 1_555 . 1_555 N Zn2 O5 Nb4 120.5(4) 1_555 . 1_555 N Zn2 O5 Nb4 134.2(4) 1_555 . 3_564 N Co3 O5 Nb4 120.5(4) 1_555 . 1_555 N Co3 O5 Nb4 134.2(4) 1_555 . 3_564 N Nb4 O5 Nb4 103.89(24) 1_555 . 3_564 N Ni1 O6 Ni1 103.41(31) 1_556 . 3_555 N Ni1 O6 Zn2 0.0 1_556 . 1_556 N Ni1 O6 Zn2 103.41(31) 1_556 . 3_555 N Ni1 O6 Co3 0.0 1_556 . 1_556 N Ni1 O6 Co3 103.41(31) 1_556 . 3_555 N Ni1 O6 Nb4 125.8(5) 1_556 . 1_555 N Ni1 O6 Zn2 103.41(31) 3_555 . 1_556 N Ni1 O6 Zn2 0.0 3_555 . 3_555 N Ni1 O6 Co3 103.41(31) 3_555 . 1_556 N Ni1 O6 Co3 0.0 3_555 . 3_555 N Ni1 O6 Nb4 126.71(35) 3_555 . 1_555 N Zn2 O6 Zn2 103.41(31) 1_556 . 3_555 N Zn2 O6 Co3 0.0 1_556 . 1_556 N Zn2 O6 Co3 103.41(31) 1_556 . 3_555 N Zn2 O6 Nb4 125.8(5) 1_556 . 1_555 N Zn2 O6 Co3 103.41(31) 3_555 . 1_556 N Zn2 O6 Co3 0.0 3_555 . 3_555 N Zn2 O6 Nb4 126.71(35) 3_555 . 1_555 N Co3 O6 Co3 103.41(31) 1_556 . 3_555 N Co3 O6 Nb4 125.8(5) 1_556 . 1_555 N Co3 O6 Nb4 126.71(35) 3_555 . 1_555 N Nb4 O7 Nb4 132.91(34) 1_555 . 2_545 N Nb4 O7 Nb4 125.17(31) 1_555 . 4_554 N Nb4 O7 Nb4 101.48(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 1.2 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 0.8 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 0.0311 _pd_proc_ls_prof_wR_factor 0.0414 _pd_proc_ls_prof_wR_expected 0.0361 _refine_ls_R_Fsqd_factor 0.18068 _pd_proc_ls_background_function ; GSAS Background function number 1 with 9 terms. Shifted Chebyshev function of 1st kind 1: 726.510 2: -102.684 3: 51.9871 4: -17.4944 5: -0.425934 6: -6.15347 7: -1.75413 8: -3.66187 9: -2.43163 ; _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 0.51079 _exptl_absorpt_correction_T_max 0.96752 # 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) = 3.087 #5(LY) = 0.757 #6(trns) = 5.141 #7(asym) = 3.0390 #8(shft) = -0.0885 #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 2015-08-17T10:47:34 _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 1744.0 . . . 1833.0 . . . 1783.0 . . . 1748.0 . . . 1667.0 . . . 1648.0 . . . 1669.0 . . . 1631.0 . . . 1594.0 . . . 1567.0 . . . 1508.0 . . . 1532.0 . . . 1488.0 . . . 1566.0 . . . 1472.0 . . . 1466.0 . . . 1489.0 . . . 1526.0 . . . 1439.0 . . . 1438.0 . . . 1424.0 . . . 1446.0 . . . 1401.0 . . . 1506.0 . . . 1359.0 . . . 1338.0 . . . 1349.0 . . . 1347.0 . . . 1363.0 . . . 1348.0 . . . 1361.0 . . . 1324.0 . . . 1338.0 . . . 1321.0 . . . 1323.0 . . . 1352.0 . . . 1381.0 . . . 1356.0 . . . 1208.0 . . . 1247.0 . . . 1244.0 . . . 1280.0 . . . 1247.0 . . . 1296.0 . . . 1210.0 . . . 1230.0 . . . 1245.0 . . . 1233.0 . . . 1173.0 . . . 1181.0 . . . 1207.0 . . . 1124.0 . . . 1198.0 . . . 1190.0 . . . 1241.0 . . . 1156.0 . . . 1201.0 . . . 1123.0 . . . 1150.0 . . . 1111.0 . . . 1110.0 . . . 1196.0 . . . 1124.0 . . . 1108.0 . . . 1096.0 . . . 1117.0 . . . 1136.0 . . . 1094.0 . . . 1063.0 . . . 1022.0 . . . 1110.0 . . . 1123.0 . . . 1074.0 . . . 1076.0 . . . 1067.0 . . . 1069.0 . . . 1036.0 . . . 1003.0 . . . 1044.0 . . . 1036.0 . . . 998.0 . . . 1039.0 . . . 989.0 . . . 981.0 . . . 1009.0 . . . 1024.0 . . . 967.0 . . . 1027.0 . . . 1001.0 . . . 936.0 . . . 942.0 . . . 968.0 . . . 939.0 . . . 947.0 . . . 948.0 . . . 935.0 . . . 974.0 . . . 924.0 . . . 992.0 . . . 940.0 . . . 933.0 . . . 907.0 . . . 914.0 . . . 968.0 . . . 978.0 . . . 904.0 . . . 930.0 . . . 897.0 . . . 875.0 . . . 908.0 . . . 931.0 . . . 938.0 . . . 874.0 . . . 892.0 . . . 930.0 . . . 828.0 . . . 866.0 . . . 882.0 . . . 899.0 . . . 941.0 . . . 871.0 . . . 835.0 . . . 885.0 . . . 781.0 . . . 829.0 . . . 842.0 . . . 859.0 . . . 851.0 . . . 890.0 . . . 837.0 . . . 825.0 . . . 875.0 . . . 828.0 . . . 743.0 . . . 785.0 . . . 806.0 . . . 793.0 . . . 748.0 . . . 836.0 . . . 792.0 . . . 845.0 . . . 822.0 . . . 810.0 . . . 834.0 . . . 834.0 . . . 761.0 . . . 821.0 . . . 754.0 . . . 827.0 . . . 827.0 . . . 797.0 . . . 817.0 . . . 803.0 . . . 766.0 . . . 799.0 . . . 771.0 . . . 790.0 . . . 778.0 . . . 798.0 . . . 761.0 . . . 762.0 . . . 812.0 . . . 840.0 . . . 823.0 . . . 758.0 . . . 746.0 . . . 773.0 . . . 804.0 . . . 746.0 . . . 796.0 . . . 724.0 . . . 735.0 . . . 734.0 . . . 741.0 . . . 757.0 . . . 765.0 . . . 777.0 . . . 800.0 . . . 756.0 . . . 750.0 . . . 767.0 . . . 759.0 . . . 746.0 . . . 776.0 . . . 712.0 . . . 756.0 . . . 693.0 . . . 757.0 . . . 784.0 . . . 785.0 . . . 807.0 . . . 786.0 . . . 787.0 . . . 758.0 . . . 722.0 . . . 740.0 . . . 766.0 . . . 751.0 . . . 738.0 . . . 777.0 . . . 775.0 . . . 762.0 . . . 709.0 . . . 762.0 . . . 751.0 . . . 736.0 . . . 760.0 . . . 706.0 . . . 789.0 . . . 707.0 . . . 749.0 . . . 740.0 . . . 758.0 . . . 766.0 . . . 778.0 . . . 733.0 . . . 768.0 . . . 693.0 . . . 758.0 . . . 750.0 . . . 796.0 . . . 755.0 . . . 747.0 . . . 757.0 . . . 710.0 . . . 757.0 . . . 734.0 . . . 742.0 . . . 743.0 . . . 710.0 . . . 757.0 . . . 744.0 . . . 746.0 . . . 698.0 . . . 743.0 . . . 773.0 . . . 770.0 . . . 721.0 . . . 752.0 . . . 753.0 . . . 774.0 . . . 730.0 . . . 773.0 . . . 724.0 . . . 734.0 . . . 722.0 . . . 740.0 . . . 767.0 . . . 766.0 . . . 792.0 . . . 754.0 . . . 725.0 . . . 757.0 . . . 767.0 . . . 750.0 . . . 722.0 . . . 682.0 . . . 740.0 . . . 738.0 . . . 784.0 . . . 709.0 . . . 713.0 . . . 808.0 . . . 779.0 . . . 773.0 . . . 742.0 . . . 741.0 . . . 737.0 . . . 785.0 . . . 792.0 . . . 837.0 . . . 819.0 . . . 729.0 . . . 787.0 . . . 804.0 . . . 817.0 . . . 829.0 . . . 848.0 . . . 762.0 . . . 814.0 . . . 785.0 . . . 813.0 . . . 850.0 . . . 819.0 . . . 794.0 . . . 873.0 . . . 773.0 . . . 821.0 . . . 796.0 . . . 801.0 . . . 864.0 . . . 843.0 . . . 830.0 . . . 767.0 . . . 781.0 . . . 885.0 . . . 819.0 . . . 851.0 . . . 864.0 . . . 871.0 . . . 824.0 . . . 824.0 . . . 826.0 . . . 846.0 . . . 892.0 . . . 853.0 . . . 825.0 . . . 828.0 . . . 783.0 . . . 827.0 . . . 869.0 . . . 828.0 . . . 814.0 . . . 885.0 . . . 867.0 . . . 844.0 . . . 799.0 . . . 803.0 . . . 824.0 . . . 807.0 . . . 837.0 . . . 860.0 . . . 855.0 . . . 841.0 . . . 784.0 . . . 811.0 . . . 848.0 . . . 849.0 . . . 849.0 . . . 832.0 . . . 782.0 . . . 817.0 . . . 820.0 . . . 816.0 . . . 790.0 . . . 835.0 . . . 808.0 . . . 871.0 . . . 799.0 . . . 816.0 . . . 838.0 . . . 817.0 . . . 845.0 . . . 886.0 . . . 838.0 . . . 801.0 . . . 831.0 . . . 795.0 0.001258 903.87915 904.63281 866.0 0.001155 903.68188 904.49524 805.0 0.001242 903.48468 904.36505 849.0 0.001178 903.28760 904.24365 841.0 0.001189 903.09058 904.13251 794.0 0.001259 902.89362 904.03381 853.0 0.001172 902.69678 903.94983 895.0 0.001117 902.50000 903.88373 830.0 0.001205 902.30328 903.83942 886.0 0.001129 902.10669 903.82233 830.0 0.001205 901.91016 903.83917 848.0 0.001179 901.71375 903.89941 842.0 0.001188 901.51740 904.01581 872.0 0.001147 901.32111 904.20648 842.0 0.001188 901.12494 904.49799 857.0 0.001167 900.92883 904.92969 777.0 0.001287 900.73285 905.56427 790.0 0.001266 900.53699 906.50494 865.0 0.001156 900.34113 907.93744 840.0 0.001190 900.14539 910.25861 855.0 0.001170 899.94977 914.67407 871.0 0.001148 899.75421 925.05298 873.0 0.001145 899.55878 948.90094 926.0 0.001080 899.36340 987.80383 925.0 0.001081 899.16809 1027.17139 1054.0 0.000949 898.97290 1059.11816 1063.0 0.000941 898.77783 1090.70203 1056.0 0.000947 898.58282 1128.04810 1168.0 0.000856 898.38794 1170.71155 1156.0 0.000865 898.19318 1168.79761 1009.0 0.000991 897.99847 1093.26160 974.0 0.001027 897.80383 1009.14655 905.0 0.001105 897.60931 949.19873 880.0 0.001136 897.41492 923.38281 886.0 0.001129 897.22052 913.40912 887.0 0.001127 897.02631 908.49054 858.0 0.001166 896.83221 905.45007 924.0 0.001082 896.63812 903.37128 856.0 0.001168 896.44421 901.85956 916.0 0.001092 896.25037 900.70563 879.0 0.001138 896.05664 899.78949 938.0 0.001066 895.86298 899.03815 959.0 0.001043 895.66949 898.40448 890.0 0.001124 895.47601 897.85724 889.0 0.001125 895.28271 897.37524 967.0 0.001034 895.08942 896.94318 906.0 0.001104 894.89630 896.55029 955.0 0.001047 894.70331 896.18823 948.0 0.001055 894.51031 895.85107 929.0 0.001076 894.31750 895.53430 943.0 0.001060 894.12482 895.23401 904.0 0.001106 893.93219 894.94757 919.0 0.001088 893.73969 894.67273 929.0 0.001076 893.54724 894.40765 871.0 0.001148 893.35492 894.15076 921.0 0.001086 893.16272 893.90112 941.0 0.001063 892.97064 893.65759 885.0 0.001130 892.77863 893.41931 911.0 0.001098 892.58679 893.18573 912.0 0.001096 892.39496 892.95624 950.0 0.001053 892.20331 892.73022 933.0 0.001072 892.01178 892.50745 994.0 0.001006 891.82031 892.28748 968.0 0.001033 891.62897 892.06995 941.0 0.001063 891.43774 891.58350 976.0 0.001025 891.24658 891.24524 918.0 0.001089 891.05554 891.05420 936.0 0.001068 890.86469 890.86334 927.0 0.001079 890.67389 890.67255 881.0 0.001135 890.48315 890.48187 988.0 0.001012 890.29260 890.29132 860.0 0.001163 890.10211 890.10083 915.0 0.001093 889.91174 889.91052 922.0 0.001085 889.72156 889.72034 927.0 0.001079 889.53137 889.53021 947.0 0.001056 889.34137 889.34021 884.0 0.001131 889.15149 889.15033 975.0 0.001026 888.96167 888.96051 945.0 0.001058 888.77203 888.77087 934.0 0.001071 888.58246 888.58130 960.0 0.001042 888.39294 888.39185 926.0 0.001080 888.20367 888.20258 927.0 0.001079 888.01440 888.01337 947.0 0.001056 887.82532 887.82428 930.0 0.001075 887.63635 887.63531 882.0 0.001134 887.44745 887.44647 977.0 0.001024 887.25873 887.25769 939.0 0.001065 887.07007 887.06909 880.0 0.001136 886.88153 886.88062 921.0 0.001086 886.69312 886.69220 959.0 0.001043 886.50482 886.50391 935.0 0.001070 886.31671 886.31580 988.0 0.001012 886.12860 886.12775 887.0 0.001127 885.94067 885.93982 938.0 0.001066 885.75287 885.75201 947.0 0.001056 885.56519 885.56433 900.0 0.001111 885.37762 885.37677 923.0 0.001083 885.19012 885.18933 858.0 0.001166 885.00281 885.00201 925.0 0.001081 884.81561 884.81482 916.0 0.001092 884.62848 884.62775 851.0 0.001175 884.44153 884.44080 930.0 0.001075 884.25470 884.25397 873.0 0.001145 884.06793 884.06720 926.0 0.001080 883.88135 883.88068 949.0 0.001054 883.69482 883.69415 909.0 0.001100 883.50848 883.50781 995.0 0.001005 883.32227 883.32159 962.0 0.001040 883.13611 883.13550 874.0 0.001144 882.95013 882.94952 896.0 0.001116 882.76428 882.76367 919.0 0.001088 882.57849 882.57794 889.0 0.001125 882.39288 882.39233 952.0 0.001050 882.20740 882.20685 911.0 0.001098 882.02203 882.02148 902.0 0.001109 881.83679 881.83624 895.0 0.001117 881.65167 881.65118 902.0 0.001109 881.46667 881.46619 908.0 0.001101 881.28180 881.28131 907.0 0.001103 881.09705 881.09662 939.0 0.001065 880.91241 880.91199 895.0 0.001117 880.72791 880.72748 872.0 0.001147 880.54358 880.54315 909.0 0.001100 880.35938 880.35895 946.0 0.001057 880.17523 880.17480 889.0 0.001125 879.99127 879.99084 869.0 0.001151 879.80737 879.80701 902.0 0.001109 879.62366 879.62335 915.0 0.001093 879.44006 879.43976 872.0 0.001147 879.25659 879.25629 934.0 0.001071 879.07330 879.07300 942.0 0.001062 878.89008 878.88977 863.0 0.001159 878.70697 878.70673 883.0 0.001133 878.52405 878.52380 898.0 0.001114 878.34125 878.34094 899.0 0.001112 878.15857 878.15833 899.0 0.001112 877.97601 877.97577 883.0 0.001133 877.79358 877.79333 911.0 0.001098 877.61127 877.61102 924.0 0.001082 877.42914 877.42889 873.0 0.001145 877.24707 877.24689 919.0 0.001088 877.06512 877.06500 869.0 0.001151 876.88342 876.88324 877.0 0.001140 876.70178 876.70160 879.0 0.001138 876.52026 876.52008 861.0 0.001161 876.33887 876.33875 882.0 0.001134 876.15765 876.15753 891.0 0.001122 875.97656 875.97644 925.0 0.001081 875.79553 875.79547 873.0 0.001145 875.61475 875.61469 877.0 0.001140 875.43402 875.43396 902.0 0.001109 875.25348 875.25342 870.0 0.001149 875.07300 875.07300 866.0 0.001155 874.89270 874.89270 840.0 0.001190 874.71252 874.71252 894.0 0.001119 874.53253 874.53253 877.0 0.001140 874.35260 874.35266 896.0 0.001116 874.17285 874.17291 959.0 0.001043 873.99323 873.99329 913.0 0.001095 873.81378 873.81378 928.0 0.001078 873.63440 873.63446 905.0 0.001105 873.45514 873.45526 895.0 0.001117 873.27612 873.27618 945.0 0.001058 873.09711 873.09723 908.0 0.001101 872.91833 872.91846 912.0 0.001096 872.73969 872.73981 816.0 0.001225 872.56110 872.56128 991.0 0.001009 872.38269 872.38287 920.0 0.001087 872.20447 872.20465 923.0 0.001083 872.02637 872.02655 983.0 0.001017 871.84833 871.84851 904.0 0.001106 871.67053 871.67072 946.0 0.001057 871.49280 871.49298 861.0 0.001161 871.31525 871.31543 898.0 0.001114 871.13782 871.13800 887.0 0.001127 870.96051 870.96075 883.0 0.001133 870.78333 870.78357 910.0 0.001099 870.60632 870.60663 923.0 0.001083 870.42944 870.42975 861.0 0.001161 870.25275 870.25299 876.0 0.001142 870.07611 870.07642 905.0 0.001105 869.89966 869.89996 865.0 0.001156 869.72339 869.72369 857.0 0.001167 869.54718 869.54749 917.0 0.001091 869.37115 869.37146 903.0 0.001107 869.19525 869.19562 931.0 0.001074 869.01947 869.01984 883.0 0.001133 868.84387 868.84424 875.0 0.001143 868.66840 868.66876 880.0 0.001136 868.49304 868.49347 849.0 0.001178 868.31787 868.31830 896.0 0.001116 868.14282 868.14325 870.0 0.001149 867.96796 867.96832 929.0 0.001076 867.79315 867.79358 864.0 0.001157 867.61853 867.61896 877.0 0.001140 867.44409 867.44452 872.0 0.001147 867.26971 867.27014 901.0 0.001110 867.09552 867.09601 923.0 0.001083 866.92151 866.92194 883.0 0.001133 866.74756 866.74805 828.0 0.001208 866.57379 866.57428 804.0 0.001244 866.40021 866.40070 875.0 0.001143 866.22668 866.24646 905.0 0.001105 866.05334 866.07428 904.0 0.001106 865.88019 865.91193 896.0 0.001116 865.70709 865.74091 846.0 0.001182 865.53418 865.57019 878.0 0.001139 865.36145 865.39990 898.0 0.001114 865.18884 865.22992 876.0 0.001142 865.01636 865.06042 869.0 0.001151 864.84399 864.89136 952.0 0.001050 864.67181 864.72296 890.0 0.001124 864.49976 864.55505 885.0 0.001130 864.32788 864.38788 894.0 0.001119 864.15613 864.22144 886.0 0.001129 863.98450 864.05591 804.0 0.001244 863.81305 863.89142 865.0 0.001156 863.64172 863.72827 891.0 0.001122 863.47058 863.56647 845.0 0.001183 863.29950 863.40662 902.0 0.001109 863.12866 863.24890 866.0 0.001155 862.95789 863.09399 888.0 0.001126 862.78729 862.94263 859.0 0.001164 862.61688 862.79590 846.0 0.001182 862.44659 862.65527 879.0 0.001138 862.27643 862.52319 888.0 0.001126 862.10645 862.40302 856.0 0.001168 861.93658 862.30042 828.0 0.001208 861.76685 862.22491 833.0 0.001200 861.59729 862.19470 871.0 0.001148 861.42786 862.25311 886.0 0.001129 861.25854 862.54291 872.0 0.001147 861.08948 863.45111 894.0 0.001119 860.92047 865.47565 948.0 0.001055 860.75165 868.62292 949.0 0.001054 860.58295 871.88257 912.0 0.001096 860.41437 875.00800 990.0 0.001010 860.24603 878.60028 979.0 0.001021 860.07776 877.98199 1007.0 0.000993 859.90967 873.25714 913.0 0.001095 859.74170 868.82037 867.0 0.001153 859.57391 864.41333 860.0 0.001163 859.40625 861.69000 871.0 0.001148 859.23877 860.50452 833.0 0.001200 859.07141 859.91827 872.0 0.001147 858.90417 859.52405 866.0 0.001155 858.73712 859.21277 825.0 0.001212 858.57019 858.94757 880.0 0.001136 858.40344 858.71057 862.0 0.001160 858.23682 858.49200 910.0 0.001099 858.07037 858.28583 844.0 0.001185 857.90405 858.08856 848.0 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674.68292 680.38611 695.0 0.001439 674.66528 680.70135 661.0 0.001513 674.64740 681.36285 674.0 0.001484 674.62915 682.48676 664.0 0.001506 674.61060 684.02325 658.0 0.001520 674.59180 686.18378 699.0 0.001431 674.57269 688.41187 707.0 0.001414 674.55322 689.85693 701.0 0.001427 674.53351 690.09442 688.0 0.001453 674.51349 689.96893 666.0 0.001502 674.49310 690.59216 687.0 0.001456 674.47247 692.63971 716.0 0.001397 674.45148 696.16260 723.0 0.001383 674.43024 700.49231 703.0 0.001422 674.40863 704.03314 683.0 0.001464 674.38672 704.62225 672.0 0.001488 674.36450 702.24103 674.0 0.001484 674.34198 698.73694 654.0 0.001529 674.31915 695.89496 662.0 0.001511 674.29602 694.49011 671.0 0.001490 674.27252 694.72565 687.0 0.001456 674.24872 696.67963 725.0 0.001379 674.22455 700.70313 712.0 0.001404 674.20013 707.81653 697.0 0.001435 674.17529 720.07349 762.0 0.001312 674.15021 740.60474 793.0 0.001261 674.12476 772.68738 808.0 0.001238 674.09900 818.01892 835.0 0.001198 674.07288 872.75507 884.0 0.001131 674.04645 921.02832 887.0 0.001127 674.01971 935.67261 831.0 0.001203 673.99255 906.64392 777.0 0.001287 673.96515 855.58270 745.0 0.001342 673.93738 806.26563 768.0 0.001302 673.90924 768.90387 768.0 0.001302 673.88080 744.88922 741.0 0.001350 673.85193 731.98273 742.0 0.001348 673.82281 726.24091 716.0 0.001397 673.79327 722.79260 686.0 0.001458 673.76343 717.65228 651.0 0.001536 673.73322 710.47284 665.0 0.001504 673.70270 703.22632 683.0 0.001464 673.67175 697.32013 674.0 0.001484 673.64050 693.11432 668.0 0.001497 673.60889 690.36578 677.0 0.001477 673.57690 688.88470 706.0 0.001416 673.54462 688.29517 684.0 0.001462 673.51190 688.43787 667.0 0.001499 673.47882 689.34021 697.0 0.001435 673.44543 691.51648 702.0 0.001425 673.41162 695.16583 709.0 0.001410 673.37744 701.66901 706.0 0.001416 673.34296 712.62292 718.0 0.001393 673.30804 729.60565 758.0 0.001319 673.27277 752.99988 784.0 0.001276 673.23718 780.02582 753.0 0.001328 673.20117 801.53070 753.0 0.001328 673.16473 804.35883 775.0 0.001290 673.12799 786.55554 758.0 0.001319 673.09082 760.07092 716.0 0.001397 673.05334 735.77759 686.0 0.001458 673.01538 717.99023 676.0 0.001479 672.97711 707.00348 717.0 0.001395 672.93842 701.35370 734.0 0.001362 672.89935 698.93835 687.0 0.001456 672.85992 697.32751 704.0 0.001420 672.82007 694.73950 673.0 0.001486 672.77985 691.20856 647.0 0.001546 672.73920 687.73010 676.0 0.001479 672.69818 684.94122 685.0 0.001460 672.65674 683.01349 697.0 0.001435 672.61493 681.83704 706.0 0.001416 672.57269 681.33759 684.0 0.001462 672.53003 681.30426 661.0 0.001513 672.48700 681.56177 666.0 0.001502 672.44360 681.96161 673.0 0.001486 672.39972 682.72833 686.0 0.001458 672.35547 684.05450 682.0 0.001466 672.31085 686.47260 696.0 0.001437 672.26575 690.10400 724.0 0.001381 672.22028 694.43689 714.0 0.001401 672.17438 697.83740 702.0 0.001425 672.12805 698.06207 699.0 0.001431 672.08130 694.83209 695.0 0.001439 672.03412 690.16748 669.0 0.001495 671.98657 685.87097 695.0 0.001439 671.93854 682.17035 662.0 0.001511 671.89008 680.06531 689.0 0.001451 671.84125 678.83643 691.0 0.001447 671.79199 678.21057 673.0 0.001486 671.74225 677.96588 680.0 0.001471 671.69208 677.99396 688.0 0.001453 671.64148 678.23199 685.0 0.001460 671.59045 678.67334 676.0 0.001479 671.53900 679.30261 652.0 0.001534 671.48706 680.28241 665.0 0.001504 671.43475 681.70282 689.0 0.001451 671.38196 683.84918 682.0 0.001466 671.32874 687.25861 692.0 0.001445 671.27502 692.85913 711.0 0.001406 671.22089 701.99054 709.0 0.001410 671.16632 716.16205 727.0 0.001376 671.11133 736.11505 769.0 0.001300 671.05585 760.79584 761.0 0.001314 670.99988 784.68524 794.0 0.001259 670.94348 796.61957 797.0 0.001255 670.88666 789.16235 770.0 0.001299 670.82928 768.79797 755.0 0.001325 670.77155 746.36914 713.0 0.001403 670.71326 727.07605 690.0 0.001449 670.65460 711.73535 691.0 0.001447 670.59540 700.23627 677.0 0.001477 670.53577 692.18195 696.0 0.001437 670.47565 686.53503 712.0 0.001404 670.41504 682.96625 706.0 0.001416 670.35394 680.73639 703.0 0.001422 670.29242 679.14545 677.0 0.001477 670.23041 678.05621 681.0 0.001468 670.16785 677.30499 652.0 0.001534 670.10486 676.80090 659.0 0.001517 670.04138 676.49805 679.0 0.001473 669.97742 676.35889 715.0 0.001399 669.91296 676.44073 699.0 0.001431 669.84802 676.76221 677.0 0.001477 669.78259 677.41193 690.0 0.001449 669.71667 678.56299 690.0 0.001449 669.65027 680.52539 703.0 0.001422 669.58331 683.77649 700.0 0.001429 669.51587 688.91254 714.0 0.001401 669.44800 696.52777 740.0 0.001351 669.37952 706.78839 730.0 0.001370 669.31061 718.74658 722.0 0.001385 669.24115 728.78766 720.0 0.001389 669.17120 731.16235 710.0 0.001408 669.10071 724.02844 692.0 0.001445 669.02979 712.13898 681.0 0.001468 668.95825 700.24835 714.0 0.001401 668.88623 690.84222 693.0 0.001443 668.81372 684.23566 667.0 0.001499 668.74066 680.02222 660.0 0.001515 668.66711 677.43567 637.0 0.001570 668.59302 675.84979 643.0 0.001555 668.51837 674.84454 673.0 0.001486 668.44318 674.25256 685.0 0.001460 668.36749 673.81952 686.0 0.001458 668.29132 673.55835 669.0 0.001495 668.21454 673.45288 662.0 0.001511 668.13721 673.50830 678.0 0.001475 668.05945 673.75287 684.0 0.001462 667.98102 674.24866 662.0 0.001511 667.90210 675.10809 694.0 0.001441 667.82263 676.51886 669.0 0.001495 667.74268 678.77588 660.0 0.001515 667.66205 682.24060 699.0 0.001431 667.58093 687.11420 767.0 0.001304 667.49933 693.03888 740.0 0.001351 667.41705 698.49292 670.0 0.001493 667.33429 700.74969 682.0 0.001466 667.25098 698.35864 682.0 0.001466 667.16711 693.10889 726.0 0.001377 667.08264 687.63507 684.0 0.001462 666.99756 683.13995 661.0 0.001513 666.91199 680.51868 656.0 0.001524 666.82581 679.52576 667.0 0.001499 666.73914 680.23157 690.0 0.001449 666.65179 682.67175 659.0 0.001517 666.56390 687.48718 682.0 0.001466 666.47540 695.28003 721.0 0.001387 666.38635 706.33679 722.0 0.001385 666.29675 719.77625 688.0 0.001453 666.20654 732.17029 724.0 0.001381 666.11578 737.32739 706.0 0.001416 666.02435 731.74463 695.0 0.001439 665.93243 719.26831 709.0 0.001410 665.83984 705.88464 719.0 0.001391 665.74664 694.89020 677.0 0.001477 665.65289 687.13092 692.0 0.001445 665.55853 682.28296 658.0 0.001520 665.46356 679.65033 651.0 0.001536 665.36798 678.59784 703.0 0.001422 665.27179 678.74908 683.0 0.001464 665.17505 680.00409 684.0 0.001462 665.07764 682.42072 714.0 0.001401 664.97968 686.03027 699.0 0.001431 664.88098 690.61267 706.0 0.001416 664.78180 695.53125 718.0 0.001393 664.68195 700.45837 716.0 0.001397 664.58142 706.58630 746.0 0.001340 664.48035 715.75397 752.0 0.001330 664.37860 728.23975 744.0 0.001344 664.27625 741.62201 740.0 0.001351 664.17328 749.35986 680.0 0.001471 664.06958 745.93457 677.0 0.001477 663.96539 733.78174 726.0 0.001377 663.86053 719.88507 717.0 0.001395 663.75500 709.14532 686.0 0.001458 663.64880 703.41791 691.0 0.001447 663.54199 702.52972 703.0 0.001422 663.43457 704.76080 694.0 0.001441 663.32648 706.78674 679.0 0.001473 663.21765 704.99304 693.0 0.001443 663.10822 698.90924 686.0 0.001458 662.99823 691.12018 700.0 0.001429 662.88745 683.97198 668.0 0.001497 662.77612 678.41095 659.0 0.001517 662.66406 674.51782 700.0 0.001429 662.55139 671.95007 685.0 0.001460 662.43799 670.32471 659.0 0.001517 662.32391 669.31384 672.0 0.001488 662.20923 668.70288 673.0 0.001486 662.09381 668.38550 676.0 0.001479 661.97778 668.34332 675.0 0.001481 661.86102 668.63910 638.0 0.001567 661.74359 669.39630 636.0 0.001572 661.62549 670.99335 662.0 0.001511 661.50665 673.78497 702.0 0.001425 661.38721 678.17682 724.0 0.001381 661.26709 684.34253 698.0 0.001433 661.14624 691.81274 693.0 0.001443 661.02466 698.72858 672.0 0.001488 660.90240 701.72925 689.0 0.001451 660.77948 698.77533 689.0 0.001451 660.65576 691.75946 689.0 0.001451 660.53143 683.93250 678.0 0.001475 660.40637 677.21759 661.0 0.001513 660.28058 672.18964 653.0 0.001531 660.15411 668.73785 659.0 0.001517 660.02692 666.34625 663.0 0.001508 659.89899 664.88690 660.0 0.001515 659.77045 663.88361 640.0 0.001563 659.64105 663.11725 698.0 0.001433 659.51093 662.49194 675.0 0.001481 659.38013 661.96899 685.0 0.001460 659.24854 661.52460 685.0 0.001460 659.11633 661.15088 669.0 0.001495 658.98334 660.81982 659.0 0.001517 658.84955 660.52649 644.0 0.001553 658.71509 660.26337 665.0 0.001504 658.57983 660.02289 675.0 0.001481 658.44397 659.80109 659.0 0.001517 658.30731 659.59454 679.0 0.001473 658.16986 659.37067 694.0 0.001441 658.03162 659.19055 667.0 0.001499 657.89264 659.03351 681.0 0.001468 657.75287 658.87634 679.0 0.001473 657.61249 658.73175 629.0 0.001590 657.47125 658.60120 659.0 0.001517 657.32922 658.32770 683.0 0.001464 657.18640 658.24536 685.0 0.001460 657.04285 658.19800 657.0 0.001522 656.89862 658.20526 625.0 0.001600 656.75354 658.28406 651.0 0.001536 656.60779 658.45551 614.0 0.001629 656.46112 658.73486 656.0 0.001524 656.31366 659.12878 664.0 0.001506 656.16547 659.62830 622.0 0.001608 656.01642 660.14160 671.0 0.001490 655.86676 660.86188 669.0 0.001495 655.71613 661.76416 688.0 0.001453 655.56476 662.74139 693.0 0.001443 655.41260 663.47546 682.0 0.001466 655.25958 663.53223 680.0 0.001471 655.10590 662.75690 666.0 0.001502 654.95129 661.56519 649.0 0.001541 654.79602 660.52692 668.0 0.001497 654.63983 659.99976 613.0 0.001631 654.48279 660.11902 644.0 0.001553 654.32495 660.84979 661.0 0.001513 654.16626 661.94910 654.0 0.001529 654.00690 662.86249 657.0 0.001522 653.84662 662.85870 653.0 0.001531 653.68549 661.72119 642.0 0.001558 653.52350 659.97339 672.0 0.001488 653.36072 658.22052 665.0 0.001504 653.19720 656.76654 667.0 0.001499 653.03278 655.67694 641.0 0.001560 652.86755 654.83673 632.0 0.001582 652.70142 654.31403 618.0 0.001618 652.53442 653.96014 660.0 0.001515 652.36658 653.73199 667.0 0.001499 652.19788 653.61023 674.0 0.001484 652.02844 653.59857 644.0 0.001553 651.85803 653.70441 646.0 0.001548 651.68683 653.92578 643.0 0.001555 651.51465 654.22241 629.0 0.001590 651.34167 654.49738 649.0 0.001541 651.16797 654.66681 665.0 0.001504 650.99323 654.77869 652.0 0.001534 650.81775 654.92657 647.0 0.001546 650.64130 655.09320 642.0 0.001558 650.46393 655.12549 680.0 0.001471 650.28571 654.82977 692.0 0.001445 650.10657 654.20715 686.0 0.001458 649.92670 653.50330 660.0 0.001515 649.74579 652.97632 652.0 0.001534 649.56396 652.77527 671.0 0.001490 649.38129 652.94989 646.0 0.001548 649.19781 653.45984 677.0 0.001477 649.01337 654.13135 700.0 0.001429 648.82806 654.58899 672.0 0.001488 648.64178 654.39746 686.0 0.001458 648.45459 653.50500 669.0 0.001495 648.26648 652.27875 695.0 0.001439 648.07739 651.08044 665.0 0.001504 647.88757 650.07928 653.0 0.001531 647.69672 649.30627 617.0 0.001621 647.50488 648.72961 656.0 0.001524 647.31219 648.30267 669.0 0.001495 647.11853 647.96729 640.0 0.001563 646.92407 647.69690 633.0 0.001580 646.72852 647.47461 633.0 0.001580 646.53217 647.29401 590.0 0.001695 646.33478 647.14978 666.0 0.001502 646.13641 647.04114 657.0 0.001522 645.93713 646.94751 650.0 0.001538 645.73682 646.82928 634.0 0.001577 645.53577 646.66119 666.0 0.001502 645.33362 646.44611 644.0 0.001553 645.13049 646.27350 652.0 0.001534 644.92639 646.18475 624.0 0.001603 644.72150 646.20959 655.0 0.001527 644.51544 646.34424 671.0 0.001490 644.30847 646.53003 652.0 0.001534 644.10065 646.62714 668.0 0.001497 643.89166 646.47150 _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 -251.533 1036.051 180.00 7.06426 0.81 2 0 0 2 o 202.045 1036.051 180.00 7.06426 0.84 1 1 0 1 o 735.621 17.063 180.00 5.28916 1.98 1 1 0 2 o 709.976 17.063 180.00 5.28916 0.96 1 1 1 1 o 3385.431 2005.738 0.00 3.64670 7.20 1 1 1 2 o 2424.581 2005.738 0.00 3.64670 2.74 3 1 0 1 o 41920.78 40259.34 0.00 3.63161 44.49 3 1 0 2 o 39110.52 40259.34 0.00 3.63161 20.58 4 0 0 1 o 12500.858 8688.967 180.00 3.53213 7.00 4 0 0 2 o 11159.355 8688.967 180.00 3.53213 3.16 2 1 1 1 o 1226.361 45.090 0.00 3.32916 1.87 2 1 1 2 o 3270.511 45.090 0.00 3.32916 2.48 3 1 1 1 o 84505.69 86594.65 180.00 2.94533 100.00 3 1 1 2 o 82682.09 86594.65 180.00 2.94533 48.63 0 2 0 1 o 43658.52 36330.60 180.00 2.85197 16.27 0 2 0 2 o 41915.14 36330.60 180.00 2.85197 7.76 2 2 0 1 o 1023.778 1206.592 0.00 2.64458 0.84 2 2 0 2 o 347.468 1206.592 0.00 2.64458 0.20 4 1 1 1 o -0.026 30.844 180.00 2.57906 0.00 4 1 1 2 o -0.026 30.844 180.00 2.57906 0.00 5 1 0 1 o -2.194 6.285 0.00 2.53203 0.00 5 1 0 2 o -2.194 6.285 0.00 2.53203 0.00 0 0 2 1 o 91292.23 84901.72 180.00 2.51734 12.47 0 0 2 2 o 82239.76 84901.72 180.00 2.51734 5.55 0 2 1 1 o 33408.688 35542.93 180.00 2.48149 15.72 1 0 2 1 o 77.087 83.638 180.00 2.47831 0.02 0 2 1 2 o 30972.922 35542.93 180.00 2.48149 7.20 1 0 2 2 o 63.407 83.638 180.00 2.47831 0.01 1 2 1 1 o 0.053 7.830 180.00 2.44408 0.00 1 2 1 2 o 0.053 7.830 180.00 2.44408 0.00 2 0 2 1 o -426.948 424.987 0.00 2.37128 0.00 2 0 2 2 o -36.313 424.987 0.00 2.37128 0.05 6 0 0 1 o 38002.23 44125.34 0.00 2.35475 7.84 6 0 0 2 o 38987.03 44125.34 0.00 2.35475 4.01 2 2 1 1 o -91.833 3.727 0.00 2.34124 0.00 2 2 1 2 o -91.833 3.727 0.00 2.34124 0.00 1 1 2 1 o -282.398 749.898 0.00 2.27302 0.00 1 1 2 2 o -225.902 749.898 0.00 2.27302 0.02 5 1 1 1 o -166.798 57.634 0.00 2.26207 0.00 5 1 1 2 o -166.798 57.634 0.00 2.26207 0.00 3 0 2 1 o 11356.943 11373.622 0.00 2.22008 3.11 4 2 0 1 o 5529.025 5478.040 0.00 2.21894 2.74 3 0 2 2 o 11391.818 11373.622 0.00 2.22008 1.55 4 2 0 2 o 5441.265 5478.040 0.00 2.21894 1.35 3 2 1 1 o 10407.094 8522.840 180.00 2.19538 8.62 3 2 1 2 o 9636.718 8522.840 180.00 2.19538 3.98 2 1 2 1 o -0.167 45.842 0.00 2.18960 0.00 2 1 2 2 o -0.167 45.842 0.00 2.18960 0.00 3 1 2 1 o 19020.484 16670.496 180.00 2.06890 9.24 3 1 2 2 o 16907.566 16670.496 180.00 2.06890 4.05 4 0 2 1 o 4499.368 6499.609 0.00 2.04998 1.47 4 0 2 2 o 5546.441 6499.609 0.00 2.04998 0.86 4 2 1 1 o 1713.598 1263.701 0.00 2.03048 1.61 4 2 1 2 o 1002.089 1263.701 0.00 2.03048 0.55 6 1 1 1 o -20.700 1208.567 180.00 1.99787 0.00 6 1 1 2 o 412.975 1208.567 180.00 1.99787 0.14 4 1 2 1 o 494.395 2.237 180.00 1.92917 0.23 4 1 2 2 o 267.361 2.237 180.00 1.92917 0.06 7 1 0 1 o 2893.914 1452.440 180.00 1.90275 1.01 7 1 0 2 o 2223.407 1452.440 180.00 1.90275 0.40 0 2 2 1 o 39620.35 32848.781 0.00 1.88730 9.48 1 3 0 1 o 3666.603 3663.624 0.00 1.88433 1.65 0 2 2 2 o 35004.625 32848.781 0.00 1.88730 4.15 5 0 2 1 o 0.616 0.675 0.00 1.87963 0.00 1 3 0 2 o 3431.134 3663.624 0.00 1.88433 0.78 5 0 2 2 o 0.671 0.675 0.00 1.87963 0.00 1 2 2 1 o 0.860 5.239 0.00 1.87069 0.00 1 2 2 2 o 3.380 5.239 0.00 1.87069 0.00 5 2 1 1 o 18.288 107.351 0.00 1.86457 0.01 5 2 1 2 o 517.230 107.351 0.00 1.86457 0.15 2 2 2 1 o 781.993 779.546 180.00 1.82335 0.46 2 2 2 2 o 830.498 779.546 180.00 1.82335 0.24 6 2 0 1 o 36568.76 30715.680 180.00 1.81581 10.48 6 2 0 2 o 38108.45 30715.680 180.00 1.81581 5.44 5 1 2 1 o 792.366 612.028 180.00 1.78520 0.26 5 1 2 2 o 669.875 612.028 180.00 1.78520 0.10 7 1 1 1 o 8320.584 7273.282 0.00 1.77988 4.87 7 1 1 2 o 7274.789 7273.282 0.00 1.77988 2.16 8 0 0 1 o 1435.919 1640.181 0.00 1.76606 0.11 1 3 1 1 o 1261.082 1393.233 180.00 1.76477 0.68 3 3 0 1 o 87977.18 82486.95 180.00 1.76305 25.04 8 0 0 2 o 1733.680 1640.181 0.00 1.76606 0.08 1 3 1 2 o 1414.853 1393.233 180.00 1.76477 0.38 3 3 0 2 o 90890.22 82486.95 180.00 1.76305 12.89 3 2 2 1 o 212.104 93.600 0.00 1.75187 0.09 3 2 2 2 o 561.399 93.600 0.00 1.75187 0.12 2 3 1 1 o 306.268 274.599 180.00 1.72487 0.17 2 3 1 2 o 242.233 274.599 180.00 1.72487 0.07 6 0 2 1 o 81514.67 87002.35 180.00 1.71967 15.15 6 0 2 2 o 80315.57 87002.35 180.00 1.71967 7.42 6 2 1 1 o 63414.03 66584.05 180.00 1.70811 29.66 6 2 1 2 o 62475.69 66584.05 180.00 1.70811 14.53 4 2 2 1 o 2337.473 3278.486 180.00 1.66458 1.10 3 3 1 1 o 2191.687 3371.083 0.00 1.66398 1.17 4 2 2 2 o 2495.044 3278.486 180.00 1.66458 0.58 3 3 1 2 o 2767.597 3371.083 0.00 1.66398 0.73 6 1 2 1 o -29.968 1172.649 0.00 1.64647 0.00 6 1 2 2 o 1955.510 1172.649 0.00 1.64647 0.37 8 1 1 1 o 245.430 87.194 0.00 1.59963 0.10 1 1 3 1 o 6212.350 1829.496 180.00 1.59963 1.79 8 1 1 2 o 233.270 87.194 0.00 1.59963 0.05 1 1 3 2 o 5874.999 1829.496 180.00 1.59963 0.85 4 3 1 1 o 530.111 105.824 180.00 1.58864 0.24 4 3 1 2 o -3.068 105.824 180.00 1.58864 0.00 5 3 0 1 o 197.255 283.803 180.00 1.57746 0.00 7 0 2 1 o -3.245 263.342 180.00 1.57470 0.00 5 3 0 2 o 321.109 283.803 180.00 1.57746 0.01 7 0 2 2 o -3.245 263.342 180.00 1.57470 0.00 2 1 3 1 o -11.278 896.131 180.00 1.56974 0.00 5 2 2 1 o 0.122 11.653 180.00 1.56943 0.00 7 2 1 1 o -0.004 0.506 180.00 1.56581 0.00 2 1 3 2 o -11.278 896.131 180.00 1.56974 0.00 5 2 2 2 o 5.970 11.653 180.00 1.56943 0.00 7 2 1 2 o 653.306 0.506 180.00 1.56581 0.13 3 1 3 1 o 61855.17 56997.28 0.00 1.52343 14.83 3 1 3 2 o 62482.58 56997.28 0.00 1.52343 7.46 7 1 2 1 o 548.433 360.302 0.00 1.51792 0.24 7 1 2 2 o 1051.763 360.302 0.00 1.51792 0.20 9 1 0 1 o 6886.500 3427.256 0.00 1.51356 1.24 9 1 0 2 o 6129.717 3427.256 0.00 1.51356 0.55 1 3 2 1 o 2560.543 1898.647 180.00 1.50852 1.19 5 3 1 1 o 705.230 777.976 180.00 1.50530 0.26 1 3 2 2 o 1474.550 1898.647 180.00 1.50852 0.40 5 3 1 2 o 1082.673 777.976 180.00 1.50530 0.21 8 2 0 1 o 130.527 107.288 180.00 1.50149 0.01 8 2 0 2 o 55.346 107.288 180.00 1.50149 0.00 2 3 2 1 o 567.294 46.248 0.00 1.48337 0.20 2 3 2 2 o 335.703 46.248 0.00 1.48337 0.06 6 2 2 1 o 22506.707 18660.053 0.00 1.47267 7.03 6 2 2 2 o 24178.342 18660.053 0.00 1.47267 3.77 4 1 3 1 o -0.267 0.000 180.00 1.46498 0.00 4 1 3 2 o 2.174 0.000 180.00 1.46498 0.00 9 1 1 1 o 65329.61 53462.41 180.00 1.44948 21.46 0 2 3 1 o 72738.02 70166.88 0.00 1.44639 8.73 9 1 1 2 o 54812.27 53462.41 180.00 1.44948 8.88 8 0 2 1 o 916.179 904.400 180.00 1.44576 0.08 3 3 2 1 o 53685.26 53716.95 0.00 1.44410 16.78 0 2 3 2 o 65789.66 70166.88 0.00 1.44639 3.91 8 0 2 2 o 857.524 904.400 180.00 1.44576 0.03 3 3 2 2 o 48572.63 53716.95 0.00 1.44410 7.50 8 2 1 1 o 254.855 292.983 180.00 1.43887 0.03 1 2 3 1 o 154.749 235.694 0.00 1.43887 0.04 8 2 1 2 o 257.759 292.983 180.00 1.43887 0.01 1 2 3 2 o 160.893 235.694 0.00 1.43887 0.02 0 4 0 1 o 21869.258 19158.545 180.00 1.42598 2.08 0 4 0 2 o 16481.996 19158.545 180.00 1.42598 0.77 6 3 1 1 o -20.302 699.057 180.00 1.41930 0.00 2 2 3 1 o -237.082 179.104 180.00 1.41699 0.00 6 3 1 2 o -20.302 699.057 180.00 1.41930 0.00 2 2 3 2 o -78.078 179.104 180.00 1.41699 0.02 10 0 0 1 o 5335.329 7636.712 180.00 1.41285 0.56 10 0 0 2 o 10384.365 7636.712 180.00 1.41285 0.49 8 1 2 1 o -0.622 5.138 180.00 1.40144 0.00 5 1 3 1 o -136.744 52.244 180.00 1.39886 0.00 8 1 2 2 o 2.143 5.138 180.00 1.40144 0.00 2 4 0 1 o 227.672 325.993 180.00 1.39779 0.02 5 1 3 2 o -136.744 52.244 180.00 1.39886 0.00 2 4 0 2 o 148.181 325.993 180.00 1.39779 0.00 4 3 2 1 o -5.059 323.725 0.00 1.39403 0.00 4 3 2 2 o 308.029 323.725 0.00 1.39403 0.05 7 3 0 1 o 4188.079 4669.705 0.00 1.38396 0.92 3 2 3 1 o 18.311 458.029 0.00 1.38265 0.01 7 3 0 2 o 4845.557 4669.705 0.00 1.38396 0.52 3 2 3 2 o 283.896 458.029 0.00 1.38265 0.04 7 2 2 1 o 113.703 125.994 0.00 1.37853 0.03 7 2 2 2 o 10.080 125.994 0.00 1.37853 0.00 0 4 1 1 o 34653.965 50467.79 0.00 1.37201 5.74 0 4 1 2 o 31960.744 50467.79 0.00 1.37201 2.62 1 4 1 1 o -0.778 61.247 0.00 1.36559 0.00 1 4 1 2 o -0.778 61.247 0.00 1.36559 0.00 2 4 1 1 o 1035.701 1191.132 180.00 1.34685 0.50 2 4 1 2 o 238.912 1191.132 180.00 1.34685 0.11 4 2 3 1 o 855.695 1254.586 180.00 1.33851 0.31 5 3 2 1 o 35.561 35.401 0.00 1.33670 0.00 4 2 3 2 o 970.457 1254.586 180.00 1.33851 0.17 7 3 1 1 o 2087.808 1975.024 180.00 1.33446 0.63 5 3 2 2 o 33.916 35.401 0.00 1.33670 0.00 9 0 2 1 o 1958.869 2092.151 180.00 1.33205 0.26 7 3 1 2 o 3223.865 1975.024 180.00 1.33446 0.49 6 1 3 1 o 79.234 199.261 0.00 1.32904 0.02 9 0 2 2 o 1089.931 2092.151 180.00 1.33205 0.07 9 2 1 1 o 1676.275 1277.494 0.00 1.32666 0.51 6 1 3 2 o 110.089 199.261 0.00 1.32904 0.01 9 2 1 2 o 1881.957 1277.494 0.00 1.32666 0.29 10 1 1 1 o 4.864 3.708 0.00 1.32320 0.00 4 4 0 1 o 245.879 169.406 180.00 1.32229 0.03 10 1 1 2 o -0.353 3.708 0.00 1.32320 0.00 4 4 0 2 o 209.809 169.406 180.00 1.32229 0.01 3 4 1 1 o -6.196 189.129 180.00 1.31725 0.00 3 4 1 2 o 105.013 189.129 180.00 1.31725 0.02 9 1 2 1 o 12464.950 11174.506 180.00 1.29715 2.97 9 1 2 2 o 10017.245 11174.506 180.00 1.29715 1.17 8 2 2 1 o -20.128 2.247 180.00 1.28953 0.00 5 2 3 1 o -3.955 320.053 180.00 1.28752 0.00 8 2 2 2 o -15.873 2.247 180.00 1.28953 0.00 5 2 3 2 o 288.249 320.053 180.00 1.28752 0.03 4 4 1 1 o 1706.638 3895.103 180.00 1.27892 0.75 4 4 1 2 o 3714.718 3895.103 180.00 1.27892 0.68 6 3 2 1 o 530.533 423.554 180.00 1.27538 0.15 6 3 2 2 o -15.552 423.554 180.00 1.27538 0.00 10 2 0 1 o 3036.931 3726.292 0.00 1.26602 0.48 10 2 0 2 o 2723.501 3726.292 0.00 1.26602 0.22 0 0 4 1 o 27599.410 27723.043 0.00 1.25867 0.95 7 1 3 1 o 5127.777 5215.132 180.00 1.25862 1.24 0 0 4 2 o 35750.18 27723.043 0.00 1.25867 0.63 7 1 3 2 o 7115.559 5215.132 180.00 1.25862 0.82 1 0 4 1 o 14.252 61.426 0.00 1.25370 0.00 8 3 1 1 o 59.259 148.445 0.00 1.25324 0.02 1 3 3 1 o 792.000 1795.008 0.00 1.25324 0.16 11 1 0 1 o 808.323 1137.802 0.00 1.25304 0.08 1 0 4 2 o 125.422 61.426 0.00 1.25370 0.00 8 3 1 2 o 150.544 148.445 0.00 1.25324 0.02 1 3 3 2 o 1820.513 1795.008 0.00 1.25324 0.19 11 1 0 2 o 921.548 1137.802 0.00 1.25304 0.05 0 4 2 1 o 337.919 1530.391 0.00 1.24074 0.00 2 0 4 1 o 36.781 296.605 180.00 1.23915 0.02 2 3 3 1 o 42.807 35.094 180.00 1.23871 0.01 0 4 2 2 o 337.919 1530.391 0.00 1.24074 0.00 2 0 4 2 o -294.796 296.605 180.00 1.23915 0.00 1 4 2 1 o -0.021 2.621 0.00 1.23599 0.00 2 3 3 2 o -2.075 35.094 180.00 1.23871 0.00 5 4 1 1 o -1.530 90.329 180.00 1.23422 0.00 1 4 2 2 o 1.627 2.621 0.00 1.23599 0.00 6 2 3 1 o 11577.166 13160.908 0.00 1.23246 2.09 10 0 2 1 o 6420.460 6183.389 0.00 1.23207 0.88 5 4 1 2 o 123.543 90.329 180.00 1.23422 0.02 6 2 3 2 o 16757.521 13160.908 0.00 1.23246 1.58 10 0 2 2 o 7871.744 6183.389 0.00 1.23207 0.52 10 2 1 1 o 3940.221 4273.696 0.00 1.22779 1.26 10 2 1 2 o 3656.649 4273.696 0.00 1.22779 0.59 1 1 4 1 o 6.231 21.899 180.00 1.22448 0.01 2 4 2 1 o 329.117 476.640 0.00 1.22204 0.04 1 1 4 2 o -24.139 21.899 180.00 1.22448 0.00 6 4 0 1 o -6.198 32.931 180.00 1.21976 0.00 2 4 2 2 o 173.901 476.640 0.00 1.22204 0.00 6 4 0 2 o 72.802 32.931 180.00 1.21976 0.01 3 0 4 1 o 3279.760 1394.407 0.00 1.21599 0.25 11 1 1 1 o 1794.410 963.422 180.00 1.21594 0.37 3 3 3 1 o 1384.958 594.743 180.00 1.21557 0.31 3 0 4 2 o 1385.651 1394.407 0.00 1.21599 0.05 11 1 1 2 o 956.024 963.422 180.00 1.21594 0.08 7 3 2 1 o 4438.670 4584.462 180.00 1.21277 1.34 3 3 3 2 o 564.345 594.743 180.00 1.21557 0.06 2 1 4 1 o 128.173 88.516 0.00 1.21091 0.02 9 3 0 1 o 34463.809 25890.619 180.00 1.21054 4.39 7 3 2 2 o 5156.949 4584.462 180.00 1.21277 0.76 2 1 4 2 o 126.802 88.516 0.00 1.21091 0.01 9 3 0 2 o 38351.01 25890.619 180.00 1.21054 2.45 9 2 2 1 o 20.447 11.744 180.00 1.20690 0.00 10 1 2 1 o -1.299 56.132 180.00 1.20429 0.00 9 2 2 2 o -0.758 11.744 180.00 1.20690 0.00 10 1 2 2 o 124.423 56.132 180.00 1.20429 0.01 3 4 2 1 o 1996.770 2724.166 180.00 1.19981 0.54 3 4 2 2 o 1987.108 2724.166 180.00 1.19981 0.27 8 1 3 1 o 8.672 5.781 180.00 1.18979 0.00 3 1 4 1 o 7686.732 6477.524 0.00 1.18927 1.08 8 1 3 2 o 6.344 5.781 180.00 1.18979 0.00 3 1 4 2 o 6732.889 6477.524 0.00 1.18927 0.47 4 0 4 1 o 2262.354 2455.667 180.00 1.18564 0.22 6 4 1 1 o 30908.883 32994.676 0.00 1.18546 7.86 4 3 3 1 o 96.508 103.923 180.00 1.18525 0.02 4 0 4 2 o 2089.726 2455.667 180.00 1.18564 0.11 6 4 1 2 o 29645.055 32994.676 0.00 1.18546 3.75 4 3 3 2 o 93.953 103.923 180.00 1.18525 0.01 12 0 0 1 o 53275.89 42837.92 0.00 1.17738 3.10 9 3 1 1 o 213.532 162.276 0.00 1.17699 0.06 7 2 3 1 o 48.803 28.559 180.00 1.17568 0.01 12 0 0 2 o 47158.21 42837.92 0.00 1.17738 1.36 9 3 1 2 o 37.653 162.276 0.00 1.17699 0.01 7 2 3 2 o -2.985 28.559 180.00 1.17568 0.00 4 4 2 1 o 43.834 57.663 0.00 1.17062 0.00 4 4 2 2 o 43.834 57.663 0.00 1.17062 0.00 4 1 4 1 o -6.605 289.506 0.00 1.16083 0.00 4 1 4 2 o -6.605 289.506 0.00 1.16083 0.00 0 2 4 1 o 26808.984 14501.936 180.00 1.15151 2.05 8 3 2 1 o 460.252 211.880 180.00 1.15083 0.11 5 0 4 1 o 368.159 205.028 180.00 1.14976 0.03 5 3 3 1 o 30.858 23.368 0.00 1.14941 0.00 0 2 4 2 o 14847.190 14501.936 180.00 1.15151 0.55 8 3 2 2 o 79.577 211.880 180.00 1.15083 0.01 1 2 4 1 o -0.016 74.564 180.00 1.14771 0.00 5 0 4 2 o 0.210 205.028 180.00 1.14976 0.00 5 3 3 2 o 17.700 23.368 0.00 1.14941 0.00 1 2 4 2 o 532.818 74.564 180.00 1.14771 0.04 11 0 2 1 o 1466.398 295.976 0.00 1.14409 0.16 11 0 2 2 o -5.073 295.976 0.00 1.14409 0.00 11 2 1 1 o -0.046 0.185 0.00 1.14067 0.00 11 2 1 2 o 0.047 0.185 0.00 1.14067 0.00 1 5 0 1 o 1422.788 4430.080 180.00 1.13709 0.24 2 2 4 1 o 227.163 646.061 0.00 1.13651 0.06 5 4 2 1 o -2.151 47.457 0.00 1.13605 0.00 7 4 1 1 o -1.922 31.000 180.00 1.13468 0.00 1 5 0 2 o 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2 o 9.873 13.763 0.00 0.87410 0.00 15 1 2 1 o 1210.591 1920.391 180.00 0.87181 0.29 3 6 2 2 o 49.191 115.832 180.00 0.87391 0.01 9 3 4 2 o 18211.100 22169.305 180.00 0.87250 2.20 15 1 2 2 o 1626.579 1920.391 180.00 0.87181 0.21 13 2 3 1 o 103.602 142.792 0.00 0.86886 0.03 6 6 1 1 o 1462.206 1221.371 180.00 0.86832 0.56 13 2 3 2 o 135.270 142.792 0.00 0.86886 0.02 9 5 2 1 o 7759.042 7852.055 180.00 0.86646 2.54 6 6 1 2 o 1252.373 1221.371 180.00 0.86832 0.25 8 1 5 1 o 195.680 122.874 0.00 0.86463 0.04 9 5 2 2 o 8098.778 7852.055 180.00 0.86646 1.35 4 3 5 1 o 47.787 46.238 0.00 0.86289 0.01 8 1 5 2 o 148.864 122.874 0.00 0.86463 0.02 4 6 2 1 o 1623.061 1334.186 0.00 0.86243 0.74 10 4 3 1 o 3170.776 4176.432 0.00 0.86136 1.18 4 3 5 2 o 44.055 46.238 0.00 0.86289 0.01 4 6 2 2 o 1833.505 1334.186 0.00 0.86243 0.41 12 0 4 1 o 13293.612 13958.134 0.00 0.85983 1.62 16 1 1 1 o 32.841 35.287 180.00 0.85982 0.01 12 3 3 1 o 57.574 66.108 180.00 0.85969 0.02 10 4 3 2 o 3712.836 4176.432 0.00 0.86136 0.68 7 2 5 1 o 45.290 49.349 180.00 0.85917 0.01 12 0 4 2 o 15265.986 13958.134 0.00 0.85983 0.95 16 1 1 2 o 38.931 35.287 180.00 0.85982 0.01 12 3 3 2 o 71.299 66.108 180.00 0.85969 0.01 11 2 4 1 o 21.207 20.350 0.00 0.85739 0.01 7 2 5 2 o 116.444 49.349 180.00 0.85917 0.01 11 2 4 2 o 0.249 20.350 0.00 0.85739 0.00 14 1 3 1 o -0.607 84.060 180.00 0.85508 0.00 7 4 4 1 o 123.170 87.612 180.00 0.85484 0.04 7 5 3 1 o 492.816 232.058 0.00 0.85469 0.23 12 4 2 1 o 165.636 695.634 0.00 0.85405 0.00 14 1 3 2 o -0.607 84.060 180.00 0.85508 0.00 11 5 0 1 o -42.088 91.497 180.00 0.85294 0.00 7 4 4 2 o 125.376 87.612 180.00 0.85484 0.02 7 5 3 2 o 995.967 232.058 0.00 0.85469 0.20 12 4 2 2 o 2537.716 695.634 0.00 0.85405 0.43 13 4 1 1 o 336.996 72.849 0.00 0.85192 0.13 11 5 0 2 o -42.088 91.497 180.00 0.85294 0.00 12 1 4 1 o 687.572 166.751 180.00 0.85023 0.20 _reflns_number_total 684 _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 0.850 _reflns_d_resolution_low 7.064 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#