data_WONG633_publ _pd_block_id 2013-04-05T11:12|WONG633|James_A._Kaduk|D2 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2013-04-05T11:12 _audit_author_name "James A. Kaduk" _audit_update_record ; 2013-04-05T11:12 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 0.05 _refine_ls_shift/su_mean 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 29 _refine_ls_goodness_of_fit_all 1.23 _refine_ls_number_restraints 6 _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 "Sm2 Fe Co O6" _cell_length_a 5.49625(17) _cell_length_b 7.62050(16) _cell_length_c 5.35556(10) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 224.313(11) _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M "P n m a" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y+1/2,+z+1/2 3 +x,-y+1/2,+z 4 -x+1/2,-y,+z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,-z+1/2 -3 -x,+y+1/2,-z -4 +x+1/2,+y,-z+1/2 # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Sm Sm1 0.44702(26) 0.25 0.0123(4) 1.0 Uiso 0.0119(4) 4 Fe Fe2 0.0 0.0 0.0 0.5 Uiso 0.0109(9) 4 Co Co3 0.0 0.0 0.0 0.5 Uiso 0.0109(9) 4 O O4 0.5282(28) 0.25 0.5905(23) 1.0 Uiso 0.0123(28) 4 O O5 0.2040(16) 0.0441(16) 0.2980(16) 1.0 Uiso 0.0123(28) 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Co0.50 Fe0.50 O3 Sm" _chemical_formula_weight 255.79 _cell_formula_units_Z 4 # MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Sm1 Sm1 3.8567(5) . -1_655 N Sm1 Sm1 3.8567(5) . -1_665 N Sm1 Sm1 3.9298(33) . -2_454 N Sm1 Sm1 3.7466(32) . -2_455 N Sm1 Sm1 3.9298(33) . -2_554 N Sm1 Sm1 3.7466(32) . -2_555 N Sm1 Fe2 3.1097(11) . 1_555 N Sm1 Fe2 3.3527(19) . 2_554 N Sm1 Fe2 3.2462(19) . 2_555 N Sm1 Fe2 3.1097(11) . 3_555 N Sm1 Fe2 3.3527(19) . 4_554 N Sm1 Fe2 3.2462(19) . 4_555 N Sm1 Co3 3.1097(11) . 1_555 N Sm1 Co3 3.3527(19) . 2_554 N Sm1 Co3 3.2462(19) . 2_555 N Sm1 Co3 3.1097(11) . 3_555 N Sm1 Co3 3.3527(19) . 4_554 N Sm1 Co3 3.2462(19) . 4_555 N Sm1 O4 2.303(13) . 1_554 N Sm1 O4 2.367(15) . -2_455 N Sm1 O5 2.567(14) . 1_555 N Sm1 O5 2.651(14) . 2_554 N Sm1 O5 2.567(14) . 3_555 N Sm1 O5 2.651(14) . 4_554 N Sm1 O5 2.343(9) . -2_555 N Sm1 O5 2.343(9) . -4_555 N Fe2 Sm1 3.1097(11) . 1_555 N Fe2 Sm1 3.2462(19) . 2_544 N Fe2 Sm1 3.3527(19) . 2_545 N Fe2 Sm1 3.1097(11) . -1_555 N Fe2 Sm1 3.3527(19) . -2_454 N Fe2 Sm1 3.2462(19) . -2_455 N Fe2 O4 1.9719(31) . 2_544 N Fe2 O4 1.9719(31) . -2_455 N Fe2 O5 1.979(4) . 1_555 N Fe2 O5 1.982(4) . 4_554 N Fe2 O5 1.979(4) . -1_555 N Fe2 O5 1.982(4) . -4_455 N Co3 Sm1 3.1097(11) . 1_555 N Co3 Sm1 3.2462(19) . 2_544 N Co3 Sm1 3.3527(19) . 2_545 N Co3 Sm1 3.1097(11) . -1_555 N Co3 Sm1 3.3527(19) . -2_454 N Co3 Sm1 3.2462(19) . -2_455 N Co3 O4 1.9719(31) . 2_544 N Co3 O4 1.9719(31) . -2_455 N Co3 O5 1.979(4) . 1_555 N Co3 O5 1.982(4) . 4_554 N Co3 O5 1.979(4) . -1_555 N Co3 O5 1.982(4) . -4_455 N O4 Sm1 2.303(13) . 1_556 N O4 Sm1 2.367(15) . -2_555 N O4 Fe2 1.9719(31) . 2_555 N O4 Fe2 1.9719(31) . 4_555 N O4 Co3 1.9719(31) . 2_555 N O4 Co3 1.9719(31) . 4_555 N O5 Sm1 2.567(14) . 1_555 N O5 Sm1 2.651(14) . 2_545 N O5 Sm1 2.343(9) . -2_455 N O5 Fe2 1.979(4) . 1_555 N O5 Fe2 1.982(4) . 4_555 N O5 Co3 1.979(4) . 1_555 N O5 Co3 1.982(4) . 4_555 N loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O4 Sm1 O4 87.7(4) 1_554 . -2_566 N O4 Sm1 O5 133.30(27) 1_554 . 1_555 N O4 Sm1 O5 68.66(21) 1_554 . 2_554 N O4 Sm1 O5 133.30(27) 1_554 . 3_555 N O4 Sm1 O5 68.66(21) 1_554 . 4_554 N O4 Sm1 O5 107.98(31) 1_554 . -2_666 N O4 Sm1 O5 107.98(31) 1_554 . -4_656 N O4 Sm1 O5 68.43(26) -2_566 . 1_555 N O4 Sm1 O5 66.10(22) -2_566 . 2_554 N O4 Sm1 O5 68.43(26) -2_566 . 3_555 N O4 Sm1 O5 66.10(22) -2_566 . 4_554 N O4 Sm1 O5 133.40(30) -2_566 . -2_666 N O4 Sm1 O5 133.40(30) -2_566 . -4_656 N O5 Sm1 O5 127.73(13) 1_555 . 2_554 N O5 Sm1 O5 75.4(4) 1_555 . 3_555 N O5 Sm1 O5 65.06(10) 1_555 . 4_554 N O5 Sm1 O5 117.68(27) 1_555 . -2_666 N O5 Sm1 O5 69.25(23) 1_555 . -4_656 N O5 Sm1 O5 65.06(10) 2_554 . 3_555 N O5 Sm1 O5 115.4(4) 2_554 . 4_554 N O5 Sm1 O5 79.1(4) 2_554 . -2_666 N O5 Sm1 O5 160.49(28) 2_554 . -4_656 N O5 Sm1 O5 127.73(13) 3_555 . 4_554 N O5 Sm1 O5 69.25(23) 3_555 . -2_666 N O5 Sm1 O5 117.68(27) 3_555 . -4_656 N O5 Sm1 O5 160.49(28) 4_554 . -2_666 N O5 Sm1 O5 79.1(4) 4_554 . -4_656 N O5 Sm1 O5 84.1(7) -2_666 . -4_656 N O4 Fe2 O4 180.0 2_544 . -2_566 N O4 Fe2 O5 90.6(6) 2_544 . 1_555 N O4 Fe2 O5 92.0(5) 2_544 . 4_554 N O4 Fe2 O5 89.4(6) 2_544 . -1_555 N O4 Fe2 O5 88.0(5) 2_544 . -4_556 N O4 Fe2 O5 89.4(6) -2_566 . 1_555 N O4 Fe2 O5 88.0(5) -2_566 . 4_554 N O4 Fe2 O5 90.6(6) -2_566 . -1_555 N O4 Fe2 O5 92.0(5) -2_566 . -4_556 N O5 Fe2 O5 90.22(13) 1_555 . 4_554 N O5 Fe2 O5 180.0 1_555 . -1_555 N O5 Fe2 O5 89.78(13) 1_555 . -4_556 N O5 Fe2 O5 89.78(13) 4_554 . -1_555 N O5 Fe2 O5 180.0 4_554 . -4_556 N O5 Fe2 O5 90.22(13) -1_555 . -4_556 N O4 Co3 O4 180.0 2_544 . -2_566 N O4 Co3 O5 90.6(6) 2_544 . 1_555 N O4 Co3 O5 92.0(5) 2_544 . 4_554 N O4 Co3 O5 89.4(6) 2_544 . -1_555 N O4 Co3 O5 88.0(5) 2_544 . -4_556 N O4 Co3 O5 89.4(6) -2_566 . 1_555 N O4 Co3 O5 88.0(5) -2_566 . 4_554 N O4 Co3 O5 90.6(6) -2_566 . -1_555 N O4 Co3 O5 92.0(5) -2_566 . -4_556 N O5 Co3 O5 90.22(13) 1_555 . 4_554 N O5 Co3 O5 180.0 1_555 . -1_555 N O5 Co3 O5 89.78(13) 1_555 . -4_556 N O5 Co3 O5 89.78(13) 4_554 . -1_555 N O5 Co3 O5 180.0 4_554 . -4_556 N O5 Co3 O5 90.22(13) -1_555 . -4_556 N Sm1 O4 Sm1 114.6(5) 1_556 . -2_555 N Sm1 O4 Fe2 103.1(4) 1_556 . 2_555 N Sm1 O4 Fe2 103.1(4) 1_556 . 4_555 N Sm1 O4 Co3 103.1(4) 1_556 . 2_555 N Sm1 O4 Co3 103.1(4) 1_556 . 4_555 N Sm1 O4 Fe2 91.1(5) -2_656 . 2_555 N Sm1 O4 Fe2 91.1(5) -2_656 . 4_555 N Sm1 O4 Co3 91.1(5) -2_565 . 2_555 N Sm1 O4 Co3 91.1(5) -2_565 . 4_555 N Fe2 O4 Fe2 150.1(7) 2_555 . 4_555 N Fe2 O4 Co3 0.0 2_555 . 2_555 N Fe2 O4 Co3 150.1(7) 2_555 . 4_555 N Fe2 O4 Co3 150.1(7) 4_555 . 2_555 N Fe2 O4 Co3 0.0 4_555 . 4_555 N Co3 O4 Co3 150.1(7) 2_555 . 4_555 N Sm1 O5 Sm1 159.7(4) 1_555 . 2_545 N Sm1 O5 Sm1 99.4(5) 1_555 . -2_455 N Sm1 O5 Fe2 85.3(4) 1_555 . 1_555 N Sm1 O5 Fe2 90.1(4) 1_555 . 4_555 N Sm1 O5 Co3 85.3(4) 1_555 . 1_555 N Sm1 O5 Co3 90.1(4) 1_555 . 4_555 N Sm1 O5 Sm1 100.9(4) 2_545 . -2_455 N Sm1 O5 Fe2 91.6(4) 2_545 . 1_555 N Sm1 O5 Fe2 83.0(4) 2_545 . 4_555 N Sm1 O5 Co3 91.6(4) 2_545 . 1_555 N Sm1 O5 Co3 83.0(4) 2_545 . 4_555 N Sm1 O5 Fe2 97.01(26) -2_556 . 1_555 N Sm1 O5 Fe2 111.82(30) -2_556 . 4_555 N Sm1 O5 Co3 97.01(26) -2_465 . 1_555 N Sm1 O5 Co3 111.82(30) -2_465 . 4_555 N Fe2 O5 Fe2 151.2(5) 1_555 . 4_555 N Fe2 O5 Co3 0.0 1_555 . 1_555 N Fe2 O5 Co3 151.2(5) 1_555 . 4_555 N Fe2 O5 Co3 151.2(5) 4_555 . 1_555 N Fe2 O5 Co3 0.0 4_555 . 4_555 N Co3 O5 Co3 151.2(5) 1_555 . 4_555 N # Powder diffraction data for histogram 1 #============================================================================== # 9. INSTRUMENT CHARACTERIZATION _exptl_special_details ; ? ; # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; ? ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; ? ; _diffrn_ambient_temperature ? _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method ? # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following two items identify the program(s) used (if appropriate). _computing_data_collection ? _computing_data_reduction ? # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator ? # The following items are used to define the size of the instrument. # Not all distances are appropriate for all instrument types. _pd_instr_dist_src/mono ? _pd_instr_dist_mono/spec ? _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc ? # 10. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; ? ; _pd_spec_mount_mode ? # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Sm 4.0 0.000 0.000 24.0042 2.47274 19.4258 0.19645 13.4396 14.3996 2.89604 128.007 2.20963 International_Tables_Vol_C Fe 2.0 0.000 0.000 11.7695 4.76110 7.35730 0.30720 3.52220 15.3535 2.30450 76.8805 1.03690 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 O 12.0 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 1.540629 1.000 K\a~1~ 1 1.544451 0.000 K\a~2~ 2 _pd_proc_ls_prof_R_factor 0.0539 _pd_proc_ls_prof_wR_factor 0.0687 _pd_proc_ls_prof_wR_expected 0.0558 _refine_ls_R_Fsqd_factor 0.11479 _pd_proc_ls_background_function ; GSAS Background function number 1 with 6 terms. Shifted Chebyshev function of 1st kind 1: 281.776 2: -104.668 3: 60.5056 4: -18.0223 5: 18.9355 6: -15.6932 ; _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 0.52761 _exptl_absorpt_correction_T_max 0.96703 # 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 4 with 18 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 2.580 #2(GV) = 0.000 #3(GW) = 1.999 #4(GP) = 0.000 #5(LX) = 2.708 #6(ptec) = 0.00 #7(trns) = 4.34 #8(shft) = -4.5898 #9(sfec) = 0.00 #10(S/L) = 0.0168 #11(H/L) = 0.0200 #12(eta) = 0.9000 #13(S400 ) = 1.1E+00 #14(S040 ) = 3.9E-02 #15(S004 ) = 1.1E-01 #16(S220 ) = 1.3E-01 #17(S202 ) = 3.5E-01 #18(S022 ) = 3.7E-02 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 2013-04-05T11:12:22 _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 3239.0 . . . 3422.0 . . . 3212.0 . . . 3097.0 . . . 3058.0 . . . 3001.0 . . . 3022.0 . . . 3132.0 . . . 2865.0 . . . 2835.0 . . . 2876.0 . . . 2688.0 . . . 2899.0 . . . 2577.0 . . . 2719.0 . . . 2685.0 . . . 2664.0 . . . 2616.0 . . . 2589.0 . . . 2498.0 . . . 2527.0 . . . 2430.0 . . . 2617.0 . . . 2426.0 . . . 2363.0 . . . 2376.0 . . . 2429.0 . . . 2454.0 . . . 2284.0 . . . 2308.0 . . . 2315.0 . . . 2195.0 . . . 2264.0 . . . 2101.0 . . . 2122.0 . . . 2188.0 . . . 2157.0 . . . 2084.0 . . . 2034.0 . . . 2101.0 . . . 2066.0 . . . 2108.0 . . . 2075.0 . . . 2003.0 . . . 2072.0 . . . 2023.0 . . . 2017.0 . . . 1838.0 . . . 1925.0 . . . 1907.0 . . . 1912.0 . . . 1855.0 . . . 1862.0 . . . 1883.0 . . . 1851.0 . . . 1764.0 . . . 1788.0 . . . 1797.0 . . . 1778.0 . . . 1757.0 . . . 1763.0 . . . 1766.0 . . . 1767.0 . . . 1757.0 . . . 1681.0 . . . 1661.0 . . . 1615.0 . . . 1682.0 . . . 1654.0 . . . 1609.0 . . . 1694.0 . . . 1618.0 . . . 1550.0 . . . 1559.0 . . . 1644.0 . . . 1688.0 . . . 1570.0 . . . 1545.0 . . . 1501.0 . . . 1491.0 . . . 1536.0 . . . 1526.0 . . . 1508.0 . . . 1423.0 . . . 1367.0 . . . 1378.0 . . . 1441.0 . . . 1411.0 . . . 1508.0 . . . 1399.0 . . . 1381.0 . . . 1376.0 . . . 1339.0 . . . 1297.0 . . . 1318.0 . . . 1379.0 . . . 1274.0 . . . 1358.0 . . . 1245.0 . . . 1308.0 . . . 1254.0 . . . 1188.0 . . . 1267.0 . . . 1183.0 . . . 1243.0 . . . 1189.0 . . . 1231.0 . . . 1161.0 . . . 1184.0 . . . 1178.0 . . . 1216.0 . . . 1131.0 . . . 1158.0 . . . 1115.0 . . . 1134.0 . . . 1160.0 . . . 1148.0 . . . 1103.0 . . . 1159.0 . . . 1066.0 . . . 1098.0 . . . 1084.0 . . . 1077.0 . . . 1122.0 . . . 1068.0 . . . 1020.0 . . . 1007.0 . . . 948.0 . . . 1001.0 . . . 998.0 . . . 959.0 . . . 964.0 . . . 1021.0 . . . 1012.0 . . . 980.0 . . . 1000.0 . . . 997.0 . . . 886.0 . . . 938.0 . . . 917.0 . . . 908.0 . . . 927.0 . . . 988.0 . . . 929.0 . . . 905.0 . . . 946.0 . . . 883.0 . . . 911.0 . . . 953.0 . . . 922.0 . . . 928.0 . . . 875.0 . . . 837.0 . . . 905.0 . . . 879.0 . . . 880.0 . . . 812.0 . . . 862.0 . . . 827.0 . . . 814.0 . . . 802.0 . . . 774.0 . . . 807.0 . . . 845.0 . . . 842.0 . . . 800.0 . . . 830.0 . . . 771.0 . . . 809.0 . . . 815.0 . . . 754.0 . . . 742.0 . . . 751.0 . . . 773.0 . . . 792.0 . . . 742.0 . . . 806.0 . . . 736.0 . . . 734.0 . . . 779.0 . . . 751.0 . . . 747.0 . . . 740.0 . . . 747.0 . . . 734.0 . . . 771.0 . . . 722.0 . . . 717.0 . . . 726.0 . . . 696.0 . . . 699.0 . . . 712.0 . . . 681.0 . . . 684.0 . . . 721.0 . . . 678.0 . . . 701.0 . . . 719.0 . . . 738.0 . . . 677.0 . . . 769.0 . . . 742.0 . . . 650.0 . . . 747.0 . . . 701.0 . . . 711.0 . . . 691.0 . . . 683.0 . . . 725.0 . . . 670.0 . . . 652.0 . . . 681.0 . . . 722.0 . . . 706.0 . . . 696.0 . . . 701.0 . . . 696.0 . . . 669.0 . . . 681.0 . . . 671.0 . . . 636.0 . . . 625.0 . . . 620.0 . . . 626.0 . . . 588.0 . . . 659.0 . . . 667.0 . . . 625.0 . . . 644.0 . . . 591.0 . . . 640.0 . . . 612.0 . . . 615.0 . . . 618.0 . . . 647.0 . . . 596.0 . . . 646.0 . . . 610.0 . . . 601.0 . . . 575.0 . . . 652.0 . . . 638.0 . . . 613.0 . . . 671.0 . . . 675.0 . . . 601.0 . . . 592.0 . . . 656.0 . . . 567.0 . . . 661.0 . . . 656.0 . . . 677.0 . . . 607.0 . . . 606.0 . . . 576.0 . . . 588.0 . . . 589.0 . . . 551.0 . . . 576.0 . . . 589.0 . . . 575.0 . . . 655.0 . . . 643.0 . . . 600.0 . . . 598.0 . . . 650.0 . . . 641.0 . . . 583.0 . . . 599.0 . . . 652.0 . . . 602.0 . . . 614.0 . . . 601.0 . . . 585.0 . . . 554.0 . . . 614.0 . . . 611.0 . . . 585.0 . . . 584.0 . . . 576.0 . . . 589.0 . . . 549.0 . . . 581.0 . . . 571.0 . . . 555.0 . . . 620.0 . . . 567.0 . . . 595.0 . . . 601.0 . . . 625.0 . . . 584.0 . . . 574.0 . . . 643.0 . . . 603.0 . . . 619.0 . . . 644.0 . . . 605.0 . . . 632.0 . . . 591.0 . . . 576.0 . . . 630.0 . . . 557.0 . . . 610.0 . . . 606.0 . . . 598.0 . . . 593.0 . . . 564.0 . . . 594.0 . . . 549.0 . . . 586.0 . . . 595.0 . . . 610.0 . . . 596.0 . . . 624.0 . . . 588.0 . . . 556.0 . . . 565.0 . . . 556.0 . . . 647.0 . . . 609.0 . . . 623.0 . . . 619.0 . . . 660.0 . . . 664.0 . . . 583.0 . . . 598.0 . . . 594.0 . . . 593.0 . . . 628.0 . . . 621.0 . . . 614.0 . . . 615.0 . . . 667.0 . . . 620.0 . . . 624.0 . . . 654.0 . . . 650.0 . . . 634.0 . . . 629.0 . . . 712.0 . . . 677.0 . . . 712.0 . . . 622.0 . . . 700.0 . . . 678.0 . . . 659.0 . . . 661.0 . . . 641.0 . . . 683.0 . . . 654.0 . . . 706.0 . . . 675.0 . . . 737.0 . . . 723.0 . . . 718.0 . . . 695.0 . . . 668.0 . . . 735.0 . . . 699.0 . . . 687.0 . . . 669.0 . . . 681.0 . . . 647.0 . . . 643.0 . . . 685.0 . . . 703.0 . . . 705.0 . . . 720.0 . . . 597.0 . . . 749.0 . . . 621.0 . . . 709.0 . . . 674.0 . . . 646.0 . . . 714.0 . . . 650.0 . . . 657.0 . . . 652.0 . . . 741.0 . . . 709.0 . . . 691.0 . . . 676.0 . . . 694.0 . . . 722.0 . . . 672.0 . . . 676.0 . . . 722.0 . . . 658.0 . . . 734.0 . . . 729.0 . . . 699.0 . . . 692.0 . . . 632.0 . . . 675.0 . . . 714.0 . . . 659.0 . . . 649.0 . . . 717.0 . . . 680.0 . . . 657.0 . . . 723.0 . . . 670.0 . . . 686.0 . . . 651.0 . . . 673.0 . . . 659.0 . . . 670.0 . . . 650.0 . . . 643.0 . . . 692.0 . . . 697.0 . . . 641.0 . . . 724.0 . . . 665.0 . . . 718.0 . . . 660.0 . . . 685.0 . . . 682.0 . . . 699.0 . . . 666.0 . . . 674.0 . . . 656.0 . . . 696.0 . . . 644.0 . . . 656.0 . . . 641.0 . . . 713.0 . . . 692.0 . . . 687.0 . . . 629.0 . . . 642.0 . . . 676.0 . . . 658.0 . . . 689.0 . . . 700.0 . . . 687.0 . . . 670.0 . . . 661.0 . . . 622.0 . . . 678.0 . . . 657.0 . . . 694.0 . . . 709.0 . . . 658.0 . . . 664.0 . . . 634.0 . . . 652.0 . . . 672.0 . . . 672.0 . . . 662.0 . . . 681.0 . . . 614.0 . . . 637.0 . . . 660.0 . . . 681.0 . . . 677.0 . . . 638.0 . . . 693.0 . . . 637.0 . . . 656.0 . . . 596.0 . . . 620.0 . . . 679.0 . . . 682.0 . . . 688.0 . . . 688.0 . . . 691.0 . . . 669.0 . . . 633.0 . . . 656.0 . . . 651.0 . . . 629.0 . . . 651.0 . . . 651.0 . . . 640.0 . . . 669.0 . . . 603.0 . . . 646.0 . . . 668.0 . . . 610.0 . . . 635.0 . . . 606.0 . . . 613.0 . . . 634.0 . . . 637.0 . . . 673.0 . . . 635.0 . . . 676.0 . . . 676.0 . . . 682.0 . . . 649.0 . . . 612.0 . . . 638.0 . . . 622.0 . . . 622.0 . . . 632.0 . . . 619.0 . . . 644.0 . . . 662.0 . . . 592.0 . . . 586.0 . . . 635.0 . . . 585.0 . . . 670.0 . . . 668.0 . . . 641.0 . . . 646.0 . . . 628.0 . . . 617.0 . . . 600.0 . . . 691.0 . . . 674.0 . . . 599.0 . . . 597.0 . . . 638.0 . . . 609.0 . . . 633.0 . . . 665.0 . . . 630.0 . . . 605.0 . . . 592.0 . . . 648.0 . . . 626.0 . . . 601.0 . . . 613.0 . . . 681.0 . . . 628.0 . . . 589.0 . . . 655.0 . . . 616.0 . . . 605.0 . . . 576.0 . . . 596.0 . . . 644.0 . . . 648.0 . . . 668.0 . . . 583.0 . . . 575.0 . . . 585.0 . . . 582.0 . . . 645.0 . . . 618.0 . . . 618.0 . . . 629.0 . . . 555.0 . . . 685.0 . . . 595.0 . . . 614.0 . . . 627.0 . . . 607.0 . . . 559.0 . . . 588.0 . . . 657.0 . . . 594.0 . . . 569.0 . . . 572.0 . . . 597.0 . . . 560.0 . . . 618.0 . . . 589.0 . . . 571.0 . . . 587.0 . . . 644.0 . . . 644.0 . . . 566.0 . . . 599.0 . . . 586.0 . . . 583.0 . . . 573.0 . . . 666.0 . . . 657.0 . . . 634.0 . . . 667.0 . . . 557.0 . . . 593.0 . . . 628.0 . . . 650.0 . . . 619.0 . . . 599.0 . . . 595.0 . . . 535.0 . . . 594.0 . . . 642.0 . . . 655.0 . . . 568.0 . . . 628.0 . . . 596.0 . . . 632.0 . . . 656.0 . . . 585.0 . . . 593.0 . . . 576.0 . . . 596.0 . . . 554.0 . . . 578.0 . . . 575.0 . . . 619.0 . . . 590.0 . . . 570.0 . . . 615.0 . . . 606.0 . . . 616.0 . . . 577.0 . . . 593.0 . . . 506.0 . . . 536.0 . . . 535.0 . . . 596.0 . . . 545.0 . . . 591.0 . . . 558.0 . . . 600.0 . . . 604.0 . . . 560.0 . . . 598.0 . . . 574.0 . . . 514.0 . . . 578.0 . . . 623.0 . . . 519.0 . . . 572.0 . . . 581.0 . . . 562.0 . . . 580.0 . . . 522.0 . . . 582.0 . . . 579.0 . . . 590.0 . . . 574.0 . . . 572.0 . . . 525.0 . . . 548.0 . . . 583.0 . . . 542.0 . . . 570.0 . . . 583.0 . . . 536.0 . . . 584.0 . . . 553.0 . . . 545.0 . . . 546.0 . . . 557.0 . . . 549.0 . . . 548.0 . . . 544.0 . . . 541.0 . . . 613.0 . . . 551.0 . . . 572.0 . . . 533.0 . . . 528.0 . . . 534.0 . . . 587.0 . . . 549.0 . . . 544.0 . . . 564.0 . . . 545.0 . . . 502.0 . . . 563.0 . . . 588.0 . . . 576.0 . . . 569.0 . . . 546.0 . . . 535.0 . . . 569.0 . . . 536.0 . . . 554.0 . . . 523.0 . . . 538.0 . . . 558.0 . . . 562.0 . . . 505.0 . . . 550.0 . . . 489.0 . . . 513.0 . . . 569.0 . . . 539.0 . . . 548.0 . . . 535.0 . . . 561.0 . . . 521.0 . . . 534.0 . . . 498.0 . . . 543.0 . . . 517.0 . . . 536.0 . . . 502.0 . . . 497.0 . . . 474.0 . . . 562.0 . . . 506.0 . . . 530.0 . . . 512.0 . . . 537.0 . . . 510.0 . . . 536.0 . . . 498.0 . . . 556.0 . . . 506.0 . . . 527.0 . . . 552.0 . . . 482.0 . . . 502.0 . . . 538.0 . . . 519.0 . . . 472.0 . . . 547.0 . . . 504.0 . . . 518.0 . . . 479.0 . . . 519.0 . . . 543.0 . . . 518.0 . . . 499.0 . . . 540.0 . . . 523.0 . . . 507.0 . . . 476.0 . . . 552.0 . . . 509.0 . . . 514.0 . . . 525.0 . . . 521.0 . . . 491.0 . . . 511.0 . . . 522.0 . . . 511.0 . . . 476.0 . . . 495.0 . . . 540.0 . . . 502.0 . . . 457.0 . . . 494.0 . . . 490.0 . . . 456.0 . . . 510.0 . . . 526.0 . . . 520.0 . . . 481.0 . . . 461.0 . . . 556.0 . . . 483.0 . . . 503.0 . . . 463.0 0.002160 499.60056 500.09149 527.0 0.001898 499.15820 499.71246 515.0 0.001942 498.71652 499.34726 518.0 0.001931 498.27563 499.00003 498.0 0.002008 497.83545 498.67621 440.0 0.002273 497.39590 498.38412 507.0 0.001972 496.95718 498.13602 502.0 0.001992 496.51913 497.95096 513.0 0.001949 496.08173 497.86044 464.0 0.002155 495.64517 497.92294 506.0 0.001976 495.20923 498.26974 503.0 0.001988 494.77402 499.22485 478.0 0.002092 494.33957 501.45908 495.0 0.002020 493.90582 505.88474 528.0 0.001894 493.47269 513.39050 530.0 0.001887 493.04034 525.94440 540.0 0.001852 492.60870 541.36707 575.0 0.001739 492.17773 551.70459 517.0 0.001934 491.74747 544.79285 529.0 0.001890 491.31796 533.04480 499.0 0.002004 490.88907 521.67358 549.0 0.001821 490.46100 508.45087 529.0 0.001890 490.03354 499.56802 524.0 0.001908 489.60684 495.11176 464.0 0.002155 489.18082 492.84674 487.0 0.002053 488.75540 491.43527 485.0 0.002062 488.33081 490.38937 488.0 0.002049 487.90689 489.54041 464.0 0.002155 487.48358 488.81253 505.0 0.001980 487.06116 488.16418 497.0 0.002012 486.63928 487.56989 489.0 0.002045 486.21817 487.01407 511.0 0.001957 485.79770 486.48630 508.0 0.001969 485.37790 485.97971 556.0 0.001799 484.95892 485.48941 518.0 0.001931 484.54050 485.01169 485.0 0.002062 484.12277 484.54413 476.0 0.002101 483.70581 484.08490 503.0 0.001988 483.28949 483.63232 451.0 0.002217 482.87384 483.18546 481.0 0.002079 482.45898 482.74341 464.0 0.002155 482.04471 482.30542 501.0 0.001996 481.63110 481.87094 464.0 0.002155 481.21826 481.43964 496.0 0.002016 480.80606 481.01102 488.0 0.002049 480.39447 480.58478 517.0 0.001934 479.98376 480.16095 524.0 0.001908 479.57361 479.73901 453.0 0.002208 479.16406 479.31876 534.0 0.001873 478.75537 478.90042 505.0 0.001980 478.34723 478.48346 464.0 0.002155 477.93973 478.06796 506.0 0.001976 477.53302 477.57721 522.0 0.001916 477.12695 477.16864 543.0 0.001842 476.72153 476.76080 510.0 0.001961 476.31683 476.31683 509.0 0.001965 475.91275 475.91275 512.0 0.001953 475.50943 475.50940 498.0 0.002008 475.10669 475.10666 502.0 0.001992 474.70468 474.70465 491.0 0.002037 474.30331 474.30328 534.0 0.001873 473.90259 473.90256 482.0 0.002075 473.50253 473.50250 512.0 0.001953 473.10327 473.10327 483.0 0.002070 472.70462 472.70456 461.0 0.002169 472.30655 472.30649 509.0 0.001965 471.90918 471.90915 478.0 0.002092 471.51251 471.51248 466.0 0.002146 471.11642 471.11636 504.0 0.001984 470.72113 470.72110 509.0 0.001965 470.32642 470.32635 444.0 0.002252 469.93234 469.93228 496.0 0.002016 469.53897 469.53897 483.0 0.002070 469.14624 469.14624 453.0 0.002208 468.75415 468.75409 486.0 0.002058 468.36279 468.36273 518.0 0.001931 467.97208 467.97202 479.0 0.002088 467.58194 467.58188 469.0 0.002132 467.19254 467.19254 449.0 0.002227 466.80377 466.80377 501.0 0.001996 466.41556 466.41556 507.0 0.001972 466.02817 466.02817 504.0 0.001984 465.64136 465.64136 463.0 0.002160 465.25522 465.25519 457.0 0.002188 464.86969 464.86969 505.0 0.001980 464.48477 464.48477 500.0 0.002000 464.10065 464.10062 462.0 0.002165 463.71707 463.71704 475.0 0.002105 463.33414 463.33411 447.0 0.002237 462.95187 462.95187 487.0 0.002053 462.57025 462.57025 478.0 0.002092 462.18921 462.18921 480.0 0.002083 461.80893 461.80890 489.0 0.002045 461.42926 461.42929 468.0 0.002137 461.05017 461.05014 457.0 0.002188 460.67178 460.67175 482.0 0.002075 460.29401 460.29401 477.0 0.002096 459.91684 459.91681 409.0 0.002445 459.54041 459.54044 480.0 0.002083 459.16461 459.16458 475.0 0.002105 458.78940 458.78940 476.0 0.002101 458.41486 458.41483 450.0 0.002222 458.04089 458.04089 489.0 0.002045 457.66754 457.66751 439.0 0.002278 457.29492 457.29492 464.0 0.002155 456.92291 458.05377 504.0 0.001984 456.55151 457.72406 467.0 0.002141 456.18079 457.39737 483.0 0.002070 455.81061 457.63965 468.0 0.002137 455.44107 457.34024 491.0 0.002037 455.07230 457.04578 496.0 0.002016 454.70401 456.75613 445.0 0.002247 454.33646 456.47208 438.0 0.002283 453.96951 456.19382 456.0 0.002193 453.60306 455.92181 463.0 0.002160 453.23743 455.65668 443.0 0.002257 452.87234 455.39871 476.0 0.002101 452.50781 455.14868 450.0 0.002222 452.14395 454.90729 453.0 0.002208 451.78076 454.67523 421.0 0.002375 451.41812 454.45334 459.0 0.002179 451.05618 454.24265 457.0 0.002188 450.69479 454.04413 453.0 0.002208 450.33408 453.85913 412.0 0.002427 449.97394 454.37015 473.0 0.002114 449.61441 454.24786 442.0 0.002262 449.25546 454.14597 472.0 0.002119 448.89728 454.40778 434.0 0.002304 448.53961 454.36981 479.0 0.002088 448.18253 454.36142 477.0 0.002096 447.82617 454.38608 470.0 0.002128 447.47037 454.44809 465.0 0.002151 447.11511 454.55231 440.0 0.002273 446.76059 454.70447 477.0 0.002096 446.40662 454.91144 486.0 0.002058 446.05319 455.18127 477.0 0.002096 445.70047 455.52359 486.0 0.002058 445.34830 455.95016 463.0 0.002160 444.99686 456.47479 485.0 0.002062 444.64587 457.11505 461.0 0.002169 444.29556 457.89197 473.0 0.002114 443.94586 458.83188 464.0 0.002155 443.59674 459.96835 456.0 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283.29214 313.22949 331.0 0.003021 283.26718 311.61273 315.0 0.003175 283.24228 310.25555 300.0 0.003333 283.21741 309.12366 284.0 0.00352 283.19257 308.18893 322.0 0.003106 283.16772 307.43188 289.0 0.003460 283.14294 306.83798 289.0 0.003460 283.11816 306.39725 276.0 0.00362 283.09341 306.10361 291.0 0.003436 283.06876 305.95477 328.0 0.003049 283.04410 305.95212 303.0 0.003300 283.01944 306.10056 265.0 0.00377 282.99484 306.40942 294.0 0.003401 282.97028 306.89276 305.0 0.003279 282.94574 307.56946 293.0 0.003413 282.92120 308.46689 322.0 0.003106 282.89676 309.62067 284.0 0.00352 282.87228 311.07861 306.0 0.003268 282.84787 312.90546 342.0 0.002924 282.82349 315.18896 299.0 0.003344 282.79913 318.05072 314.0 0.003185 282.77481 321.66861 341.0 0.002933 282.75049 326.30902 360.0 0.002778 282.72620 332.39621 322.0 0.003106 282.70197 340.61890 336.0 0.002976 282.67770 352.07437 392.0 0.002551 282.65353 368.36774 426.0 0.002347 282.62939 391.65182 389.0 0.002571 282.60522 424.19302 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271.30667 514.20978 476.0 0.002101 271.28003 511.30609 483.0 0.002070 271.25330 504.08917 492.0 0.002033 271.22659 487.84576 453.0 0.002208 271.19980 464.37094 424.0 0.002358 271.17300 439.24130 445.0 0.002247 271.14618 416.94897 419.0 0.002387 271.11932 399.45203 383.0 0.002611 271.09247 387.10956 384.0 0.002604 271.06555 379.68344 365.0 0.002740 271.03864 377.20990 351.0 0.002849 271.01166 379.45865 380.0 0.002632 270.98468 387.42441 436.0 0.002294 270.95767 402.65262 433.0 0.002309 270.93063 427.44208 483.0 0.002070 270.90359 464.51611 506.0 0.001976 270.87646 515.66071 522.0 0.001916 270.84937 577.68439 600.0 0.001667 270.82217 634.31653 593.0 0.001686 270.79501 656.26501 620.0 0.001613 270.76782 630.69324 619.0 0.001616 270.74060 581.06769 562.0 0.001779 270.71335 536.09845 527.0 0.001898 270.68604 508.77728 495.0 0.002020 270.65872 500.95407 504.0 0.001984 270.63138 508.38144 502.0 0.001992 270.60403 519.64508 470.0 0.002128 270.57660 517.64539 484.0 0.002066 270.54916 495.04407 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226.96381 238.71347 239.0 0.00418 226.96211 238.42542 243.0 0.00412 226.96025 238.09367 263.0 0.00380 226.95827 237.73587 244.0 0.00410 226.95613 237.37849 227.0 0.00441 226.95380 237.04568 213.0 0.00469 226.95134 236.75340 239.0 0.00418 226.94875 236.51044 269.0 0.00372 226.94595 236.31902 231.0 0.00433 226.94304 236.17894 225.0 0.00444 226.93993 236.08778 248.0 0.00403 226.93669 236.04300 232.0 0.00431 226.93329 236.04175 241.0 0.00415 226.92973 236.08189 246.0 0.00407 226.92601 236.16185 218.0 0.00459 226.92212 236.25403 240.0 0.00417 226.91808 236.41154 225.0 0.00444 226.91386 236.60817 233.0 0.00429 226.90950 236.84485 223.0 0.00448 226.90500 237.12297 216.0 0.00463 226.90028 237.44426 262.0 0.00382 226.89545 237.81064 221.0 0.00452 226.89043 238.22289 265.0 0.00377 226.88525 238.68085 242.0 0.00413 226.87993 239.18159 239.0 0.00418 226.87444 239.71808 227.0 0.00441 226.86876 240.28047 237.0 0.00422 226.86295 240.85573 259.0 0.00386 226.85693 241.43439 237.0 0.00422 226.85078 242.01494 258.0 0.00388 226.84447 242.60669 229.0 0.00437 226.83797 243.22557 245.0 0.00408 226.83130 243.88945 250.0 0.00400 226.82448 244.61287 264.0 0.00379 226.81749 245.46350 264.0 0.00379 226.81032 246.33156 225.0 0.00444 226.80301 247.27592 247.0 0.00405 226.79550 248.29639 251.0 0.00398 226.78783 249.38899 233.0 0.00429 226.78001 250.43320 269.0 0.00372 226.77200 251.65088 283.0 0.00353 226.76382 252.91563 248.0 0.00403 226.75548 254.21347 252.0 0.00397 226.74695 255.52753 266.0 0.00376 226.73828 256.83859 265.0 0.00377 226.72942 258.12476 268.0 0.00373 226.72038 259.36301 275.0 0.00364 226.71117 260.52954 251.0 0.00398 226.70180 261.60074 240.0 0.00417 226.69226 262.55383 244.0 0.00410 226.68253 263.36923 256.0 0.00391 226.67262 264.02890 267.0 0.00375 226.66254 264.51886 276.0 0.00362 226.65230 264.82928 256.0 0.00391 226.64186 264.95578 255.0 0.00392 226.63127 264.90057 284.0 0.00352 226.62048 264.67188 270.0 0.00370 226.60953 264.28482 237.0 0.00422 226.59840 263.76065 295.0 0.003390 226.58707 263.12549 269.0 0.00372 226.57561 262.40790 275.0 0.00364 226.56393 261.63791 249.0 0.00402 226.55208 260.84479 268.0 0.00373 226.54005 260.05539 269.0 0.00372 226.52783 259.29294 265.0 0.00377 226.51546 258.60645 292.0 0.003425 226.50287 257.95074 271.0 0.00369 226.49013 257.36523 263.0 0.00380 226.47719 256.85541 289.0 0.003460 226.46410 256.42276 240.0 0.00417 226.45081 256.06506 271.0 0.00369 226.43732 255.77686 253.0 0.00395 226.42365 255.55034 267.0 0.00375 226.40981 255.37518 268.0 0.00373 226.39578 255.24019 258.0 0.00388 226.38155 255.13350 263.0 0.00380 226.36716 255.04318 261.0 0.00383 226.35255 254.95813 271.0 0.00369 226.33781 254.86847 237.0 0.00422 226.32283 254.76628 271.0 0.00369 226.30768 254.64592 262.0 0.00382 226.29234 254.50436 250.0 0.00400 226.27686 254.34137 245.0 0.00408 226.26111 254.15962 275.0 0.00364 226.24522 253.96489 284.0 0.00352 226.22913 253.76439 289.0 0.003460 226.21288 253.56549 242.0 0.00413 226.19640 253.37149 264.0 0.00379 226.17973 253.17720 268.0 0.00373 226.16287 252.96280 234.0 0.00427 226.14584 252.69099 240.0 0.00417 226.12860 252.31137 275.0 0.00364 226.11118 251.77740 278.0 0.00360 226.09355 251.06958 273.0 0.00366 226.07576 250.20964 251.0 0.00398 226.05774 249.25529 237.0 0.00422 226.03954 248.27562 267.0 0.00375 226.02115 247.33357 251.0 0.00398 226.00258 246.47388 258.0 0.00388 225.98380 245.72339 259.0 0.00386 225.96481 245.09557 246.0 0.00407 225.94563 244.59557 262.0 0.00382 225.92625 244.22371 241.0 0.00415 225.90671 243.97798 243.0 0.00412 225.88693 243.85500 265.0 0.00377 225.86696 243.85120 252.0 0.00397 225.84680 243.96207 272.0 0.00368 225.82643 244.18257 273.0 0.00366 225.80589 244.50627 268.0 0.00373 225.78513 244.92451 255.0 0.00392 225.76416 245.42490 251.0 0.00398 225.74301 245.99068 275.0 0.00364 225.72163 246.59917 283.0 0.00353 225.70007 247.22137 268.0 0.00373 225.67831 247.82307 257.0 0.00389 225.65634 248.36633 264.0 0.00379 225.63416 248.81227 254.0 0.00394 225.61177 249.12468 272.0 0.00368 225.58922 249.27248 272.0 0.00368 225.56642 249.23222 249.0 0.00402 225.54344 248.99069 257.0 0.00389 225.52025 248.55145 241.0 0.00415 225.49684 247.94005 261.0 0.00383 225.47324 247.20348 285.0 0.00351 225.44942 246.40138 253.0 0.00395 225.42540 245.59195 245.0 0.00408 225.40118 244.82310 245.0 0.00408 225.37674 244.12837 250.0 0.00400 225.35210 243.52856 266.0 0.00376 225.32724 243.03546 232.0 0.00431 225.30219 242.65396 258.0 0.00388 225.27692 242.38585 260.0 0.00385 225.25143 242.23103 294.0 0.003401 225.22575 242.18826 237.0 0.00422 225.19983 242.25577 235.0 0.00426 225.17371 242.43201 243.0 0.00412 225.14738 242.71539 259.0 0.00386 225.12085 243.10431 262.0 0.00382 225.09409 243.59689 226.0 0.00442 225.06712 244.19051 233.0 0.00429 225.03995 244.88193 274.0 0.00365 225.01256 245.66615 261.0 0.00383 224.98494 246.53870 243.0 0.00412 224.95711 247.49390 247.0 0.00405 224.92909 248.52811 238.0 0.00420 224.90082 249.64154 254.0 0.00394 224.87234 250.84171 287.0 0.003484 224.84364 252.14493 265.0 0.00377 224.81473 253.57823 278.0 0.00360 224.78561 255.17908 271.0 0.00369 224.75627 256.99289 304.0 0.003289 224.72668 259.06995 289.0 0.003460 224.69691 261.46054 286.0 0.003497 224.66690 264.21478 270.0 0.00370 224.63667 267.37177 261.0 0.00383 224.60623 270.95782 275.0 0.00364 224.57558 274.97809 295.0 0.003390 224.54468 279.40561 269.0 0.00372 224.51357 284.16675 313.0 0.003195 224.48222 289.12347 286.0 0.003497 224.45065 294.05399 305.0 0.003279 224.41888 298.64337 315.0 0.003175 224.38689 302.49731 310.0 0.003226 224.35463 305.19217 334.0 0.002994 224.32219 306.36819 296.0 0.003378 224.28949 305.83725 321.0 0.003115 224.25659 303.64633 331.0 0.003021 224.22343 300.07068 294.0 0.003401 224.19009 295.52649 327.0 0.003058 224.15651 290.45981 291.0 0.003436 224.12270 285.25986 304.0 0.003289 224.08862 280.21802 295.0 0.003390 224.05434 275.52567 270.0 0.00370 224.01984 271.29230 317.0 0.003155 223.98511 267.56949 271.0 0.00369 223.95016 264.37283 272.0 0.00368 223.91495 261.69165 257.0 0.00389 223.87953 259.50928 273.0 0.00366 223.84384 257.80225 258.0 0.00388 223.80797 256.54709 262.0 0.00382 223.77184 255.72137 251.0 0.00398 223.73547 255.30579 262.0 0.00382 223.69888 255.28343 296.0 0.003378 223.66202 255.63916 275.0 0.00364 223.62498 256.35779 270.0 0.00370 223.58768 257.42117 260.0 0.00385 223.55011 258.80368 244.0 0.00410 223.51239 260.46539 275.0 0.00364 223.47437 262.34665 271.0 0.00369 223.43610 264.35486 283.0 0.00353 223.39761 266.35806 299.0 0.003344 223.35890 268.18262 272.0 0.00368 223.31995 269.62393 255.0 0.00392 223.28073 270.47699 273.0 0.00366 223.24130 270.58398 259.0 0.00386 223.20160 269.88068 246.0 0.00407 223.16171 268.41977 291.0 0.003436 223.12154 266.35464 250.0 0.00400 223.08113 263.89441 254.0 0.00394 223.04050 261.24765 262.0 0.00382 222.99959 258.59360 265.0 0.00377 222.95845 256.06265 244.0 0.00410 222.91708 253.73956 269.0 0.00372 222.87547 251.67282 251.0 0.00398 222.83360 249.88533 _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 0 1 1 1 o 403.852 280.490 180.00 4.38171 1.03 0 1 1 2 o 767.984 280.490 180.00 4.38171 1.02 1 0 1 1 o 9326.394 9411.107 180.00 3.83573 16.11 1 0 1 2 o 9372.441 9411.107 180.00 3.83573 8.06 0 2 0 1 o 11834.281 11757.985 180.00 3.81025 8.63 0 2 0 2 o 11080.125 11757.985 180.00 3.81025 3.98 1 1 1 1 o 4619.847 4803.437 180.00 3.42619 12.51 1 1 1 2 o 4118.937 4803.437 180.00 3.42619 5.44 2 0 0 1 o 56186.27 50220.98 0.00 2.74813 20.91 2 0 0 2 o 52752.45 50220.98 0.00 2.74813 9.68 1 2 1 1 o 61044.24 61941.40 0.00 2.70322 100.00 1 2 1 2 o 61815.33 61941.40 0.00 2.70322 50.51 0 0 2 1 o 63355.76 63324.16 0.00 2.67778 32.79 0 0 2 2 o 59279.95 63324.16 0.00 2.67778 15.08 2 1 0 1 o 11763.750 11648.983 0.00 2.58516 7.69 2 1 0 2 o 10384.817 11648.983 0.00 2.58516 3.30 2 0 1 1 o 463.946 81.437 180.00 2.44502 0.37 2 0 1 2 o 275.875 81.437 180.00 2.44502 0.11 1 0 2 1 o 167.556 276.004 0.00 2.40728 0.20 1 0 2 2 o -48.297 276.004 0.00 2.40728 0.00 2 1 1 1 o -31.456 61.240 0.00 2.32812 0.00 2 1 1 2 o -31.456 61.240 0.00 2.32812 0.00 1 1 2 1 o 1832.359 2254.585 0.00 2.29547 2.71 1 1 2 2 o 1874.889 2254.585 0.00 2.29547 1.38 0 3 1 1 o 510.891 626.813 180.00 2.29509 0.44 0 3 1 2 o 511.219 626.813 180.00 2.29509 0.22 2 2 0 1 o 12719.636 14123.462 180.00 2.22888 6.64 2 2 0 2 o 11958.886 14123.462 180.00 2.22888 3.08 0 2 2 1 o 22001.359 20947.156 180.00 2.19085 14.71 0 2 2 2 o 21608.268 20947.156 180.00 2.19085 7.17 1 3 1 1 o 5526.194 4992.505 0.00 2.11787 5.74 1 3 1 2 o 5049.834 4992.505 0.00 2.11787 2.58 2 2 1 1 o 803.118 816.205 180.00 2.05778 0.83 2 2 1 2 o 546.188 816.205 180.00 2.05778 0.27 1 2 2 1 o 518.363 534.367 0.00 2.03513 0.61 1 2 2 2 o 380.324 534.367 0.00 2.03513 0.22 2 0 2 1 o 52651.61 56127.63 0.00 1.91786 24.35 2 0 2 2 o 53538.05 56127.63 0.00 1.91786 12.36 0 4 0 1 o 78821.73 76717.06 0.00 1.90513 15.56 0 4 0 2 o 71799.35 76717.06 0.00 1.90513 6.95 2 1 2 1 o 11649.083 11456.783 0.00 1.85987 10.04 2 3 0 1 o 13259.413 13124.934 180.00 1.86536 4.82 2 1 2 2 o 11165.937 11456.783 0.00 1.85987 4.75 2 3 0 2 o 13723.010 13124.934 180.00 1.86536 2.50 2 3 1 1 o 1939.673 438.212 0.00 1.76157 1.51 2 3 1 2 o 1730.103 438.212 0.00 1.76157 0.67 3 0 1 1 o 378.844 32.186 180.00 1.73346 0.18 3 0 1 2 o 379.447 32.186 180.00 1.73346 0.09 1 3 2 1 o 2195.574 1192.810 180.00 1.74729 1.83 1 3 2 2 o 2117.313 1192.810 180.00 1.74729 0.88 0 1 3 1 o 569.645 297.394 180.00 1.73813 0.28 2 2 2 1 o 4394.503 2622.133 180.00 1.71309 3.39 0 1 3 2 o 881.788 297.394 180.00 1.73813 0.22 2 2 2 2 o 3581.910 2622.133 180.00 1.71309 1.35 3 1 1 1 o 24155.340 21134.662 180.00 1.69028 14.87 3 1 1 2 o 23832.354 21134.662 180.00 1.69028 7.28 1 4 1 1 o 7497.217 6195.022 180.00 1.70626 4.99 1 4 1 2 o 7071.084 6195.022 180.00 1.70626 2.32 1 0 3 1 o 7537.771 6654.875 180.00 1.69787 3.23 1 0 3 2 o 7807.177 6654.875 180.00 1.69787 1.67 1 1 3 1 o 5028.516 3280.522 180.00 1.65724 4.20 1 1 3 2 o 5814.848 3280.522 180.00 1.65724 2.45 3 2 1 1 o 25718.031 19951.773 0.00 1.57785 13.86 3 2 1 2 o 23353.451 19951.773 0.00 1.57785 6.17 2 4 0 1 o 35041.758 34765.246 0.00 1.56569 8.93 2 4 0 2 o 35105.95 34765.246 0.00 1.56569 4.45 1 2 3 1 o 45780.23 44266.87 0.00 1.55087 30.43 1 2 3 2 o 43119.25 44266.87 0.00 1.55087 14.11 0 4 2 1 o 46853.07 43990.36 0.00 1.55234 13.66 0 4 2 2 o 44182.80 43990.36 0.00 1.55234 6.34 2 3 2 1 o 7570.788 6890.015 180.00 1.53060 4.20 2 3 2 2 o 8381.361 6890.015 180.00 1.53060 2.35 3 0 2 1 o 1597.185 545.926 180.00 1.51205 0.47 3 0 2 2 o 1965.719 545.926 180.00 1.51205 0.29 2 4 1 1 o 67.489 12.578 0.00 1.50279 0.04 2 4 1 2 o 36.924 12.578 0.00 1.50279 0.01 2 0 3 1 o 3204.791 1216.598 0.00 1.49705 1.09 3 1 2 1 o 845.991 384.967 0.00 1.48314 0.48 2 0 3 2 o 3271.774 1216.598 0.00 1.49705 0.55 3 1 2 2 o 1205.066 384.967 0.00 1.48314 0.34 1 4 2 1 o 17.885 0.762 0.00 1.49390 0.02 1 4 2 2 o 15.963 0.762 0.00 1.49390 0.01 2 1 3 1 o 662.659 348.868 180.00 1.46897 0.41 2 1 3 2 o 612.250 348.868 180.00 1.46897 0.19 0 5 1 1 o 1608.583 821.769 180.00 1.46590 0.43 0 5 1 2 o 776.361 821.769 180.00 1.46590 0.10 0 3 3 1 o 1251.960 1100.377 0.00 1.46057 0.36 0 3 3 2 o 1919.490 1100.377 0.00 1.46057 0.29 3 3 1 1 o 14497.834 15653.461 0.00 1.43183 6.15 3 3 1 2 o 13499.734 15653.461 0.00 1.43183 2.81 3 2 2 1 o -7.529 31.209 0.00 1.40543 0.00 3 2 2 2 o -7.529 31.209 0.00 1.40543 0.00 1 5 1 1 o 1756.461 1808.368 180.00 1.41639 0.75 1 5 1 2 o 1563.950 1808.368 180.00 1.41639 0.33 1 3 3 1 o 926.593 1052.865 0.00 1.41158 0.46 1 3 3 2 o 796.697 1052.865 0.00 1.41158 0.19 2 2 3 1 o 358.304 311.853 180.00 1.39336 0.18 4 0 0 1 o 7933.135 11397.742 0.00 1.37406 0.70 2 2 3 2 o 51.133 311.853 180.00 1.39336 0.00 4 0 0 2 o 6434.221 11397.742 0.00 1.37406 0.27 4 1 0 1 o 16691.844 18322.723 0.00 1.35226 2.98 4 1 0 2 o 16312.566 18322.723 0.00 1.35226 1.44 2 4 2 1 o 28743.068 30594.631 0.00 1.35161 11.98 2 4 2 2 o 27777.863 30594.631 0.00 1.35161 5.72 4 0 1 1 o 802.181 1158.813 0.00 1.33096 0.16 4 0 1 2 o 511.121 1158.813 0.00 1.33096 0.05 2 5 0 1 o 4927.673 4923.795 0.00 1.33285 0.90 4 1 1 1 o -0.465 0.108 180.00 1.31111 0.00 0 0 4 1 o 33464.031 35117.16 0.00 1.33889 4.38 2 5 0 2 o 2975.995 4923.795 0.00 1.33285 0.24 4 1 1 2 o -0.465 0.108 180.00 1.31111 0.00 0 0 4 2 o 32972.031 35117.16 0.00 1.33889 2.14 4 2 0 1 o 95.297 335.464 0.00 1.29258 0.01 4 2 0 2 o 58.646 335.464 0.00 1.29258 0.00 3 3 2 1 o 54.384 720.359 180.00 1.29929 0.00 3 3 2 2 o 54.384 720.359 180.00 1.29929 0.00 2 5 1 1 o 16.155 201.502 0.00 1.29339 0.03 1 0 4 1 o 76.639 1000.666 180.00 1.30085 0.00 2 5 1 2 o -49.436 201.502 0.00 1.29339 0.00 2 3 3 1 o -23.287 39.380 0.00 1.28973 0.00 1 0 4 2 o 76.639 1000.666 180.00 1.30085 0.00 3 4 1 1 o 77.406 148.080 180.00 1.28215 0.05 2 3 3 2 o -14.894 39.380 0.00 1.28973 0.00 3 4 1 2 o 16.519 148.080 180.00 1.28215 0.01 3 0 3 1 o 391.651 1178.168 180.00 1.27858 0.07 1 5 2 1 o 225.237 1070.406 0.00 1.28771 0.05 3 0 3 2 o 287.873 1178.168 180.00 1.27858 0.02 1 5 2 2 o 560.162 1070.406 0.00 1.28771 0.10 1 1 4 1 o 1624.616 2049.680 0.00 1.28230 0.75 4 2 1 1 o -10.969 3.317 0.00 1.25650 0.00 1 1 4 2 o 799.627 2049.680 0.00 1.28230 0.14 4 2 1 2 o -17.281 3.317 0.00 1.25650 0.00 0 6 0 1 o 8231.784 9275.032 180.00 1.27008 0.72 3 1 3 1 o 8823.970 11172.635 180.00 1.26095 3.33 1 4 3 1 o 4514.836 5223.177 180.00 1.26754 1.86 0 6 0 2 o 8330.730 9275.032 180.00 1.27008 0.36 3 1 3 2 o 7463.926 11172.635 180.00 1.26095 1.34 1 4 3 2 o 4563.710 5223.177 180.00 1.26754 0.94 0 2 4 1 o 3625.098 4115.061 180.00 1.26317 0.84 0 2 4 2 o 3492.079 4115.061 180.00 1.26317 0.40 4 0 2 1 o 4440.355 5720.043 0.00 1.22251 0.68 4 0 2 2 o 4915.791 5720.043 0.00 1.22251 0.39 1 2 4 1 o -35.556 13.784 180.00 1.23108 0.00 1 2 4 2 o -35.556 13.784 180.00 1.23108 0.00 4 3 0 1 o 10882.499 11154.085 180.00 1.20857 1.63 4 1 2 1 o 13428.416 13670.684 0.00 1.20708 4.38 4 3 0 2 o 10659.537 11154.085 180.00 1.20857 0.79 4 1 2 2 o 12793.224 13670.684 0.00 1.20708 2.06 3 2 3 1 o 10747.216 11521.883 0.00 1.21215 3.84 3 2 3 2 o 11433.031 11521.883 0.00 1.21215 2.06 2 0 4 1 o 16616.389 17512.102 0.00 1.20364 3.35 1 6 1 1 o 25380.803 25964.807 0.00 1.20571 8.08 2 0 4 2 o 14083.035 17512.102 0.00 1.20364 1.36 1 6 1 2 o 24335.967 25964.807 0.00 1.20571 3.82 2 5 2 1 o 6096.352 7211.930 0.00 1.19321 1.99 4 3 1 1 o 63.244 47.861 180.00 1.17893 0.03 2 5 2 2 o 6182.544 7211.930 0.00 1.19321 1.01 2 1 4 1 o 5106.805 5766.548 0.00 1.18890 2.02 4 3 1 2 o 65.818 47.861 180.00 1.17893 0.01 3 4 2 1 o 169.208 227.524 180.00 1.18436 0.05 2 1 4 2 o 4617.423 5766.548 0.00 1.18890 0.89 3 4 2 2 o 164.447 227.524 180.00 1.18436 0.02 2 4 3 1 o 642.019 571.297 0.00 1.17711 0.24 4 2 2 1 o 114.228 74.500 0.00 1.16406 0.03 2 4 3 2 o 780.293 571.297 0.00 1.17711 0.15 4 2 2 2 o 92.923 74.500 0.00 1.16406 0.01 0 5 3 1 o 73.730 66.846 180.00 1.15913 0.02 1 3 4 1 o 1867.836 2126.562 180.00 1.15785 0.73 2 6 0 1 o 2991.608 3469.174 180.00 1.15291 0.45 0 5 3 2 o 54.132 66.846 180.00 1.15913 0.01 3 5 1 1 o 11651.816 12160.714 180.00 1.14460 3.43 1 3 4 2 o 1907.564 2126.562 180.00 1.15785 0.37 2 6 0 2 o 3370.719 3469.174 180.00 1.15291 0.26 3 3 3 1 o 11045.327 11345.553 0.00 1.14206 3.73 3 5 1 2 o 11895.557 12160.714 180.00 1.14460 1.75 2 2 4 1 o 2143.854 2126.058 180.00 1.14773 0.85 3 3 3 2 o 11839.044 11345.553 0.00 1.14206 2.02 2 2 4 2 o 2019.758 2126.058 180.00 1.14773 0.40 0 6 2 1 o 6314.593 6218.146 180.00 1.14755 1.04 0 6 2 2 o 5765.373 6218.146 180.00 1.14755 0.46 1 5 3 1 o 2557.280 2678.512 180.00 1.13418 0.89 2 6 1 1 o 102.020 43.033 180.00 1.12709 0.03 1 5 3 2 o 3905.405 2678.512 180.00 1.13418 0.72 2 6 1 2 o 136.173 43.033 180.00 1.12709 0.02 4 4 0 1 o 11259.471 6706.342 0.00 1.11444 1.68 1 6 2 1 o 34.852 14.233 0.00 1.12332 0.01 4 4 0 2 o 10620.903 6706.342 0.00 1.11444 0.79 1 6 2 2 o 37.929 14.233 0.00 1.12332 0.01 4 3 2 1 o 15428.805 14638.342 180.00 1.10157 4.61 4 3 2 2 o 15702.189 14638.342 180.00 1.10157 2.35 4 0 3 1 o 553.678 485.594 0.00 1.08887 0.09 4 4 1 1 o 406.145 333.852 0.00 1.09107 0.12 4 0 3 2 o 522.515 485.594 0.00 1.08887 0.04 4 4 1 2 o 377.118 333.852 0.00 1.09107 0.06 5 0 1 1 o 3660.453 2740.174 0.00 1.07680 0.51 0 4 4 1 o 25233.920 23255.402 0.00 1.09543 4.58 5 0 1 2 o 4134.432 2740.174 0.00 1.07680 0.29 4 1 3 1 o 3.359 1.027 0.00 1.07792 0.00 2 3 4 1 o 5778.298 5361.048 180.00 1.08771 2.10 0 4 4 2 o 25830.164 23255.402 0.00 1.09543 2.35 4 1 3 2 o 6.738 1.027 0.00 1.07792 0.00 2 3 4 2 o 5639.425 5361.048 180.00 1.08771 1.02 3 0 4 1 o 419.635 271.679 180.00 1.08099 0.08 3 0 4 2 o 338.108 271.679 180.00 1.08099 0.03 5 1 1 1 o 15548.785 14199.798 180.00 1.06621 4.27 5 1 1 2 o 15185.797 14199.798 180.00 1.06621 2.07 3 5 2 1 o 129.579 81.786 0.00 1.07342 0.04 3 5 2 2 o 96.961 81.786 0.00 1.07342 0.01 3 1 4 1 o 905.915 754.982 0.00 1.07028 0.33 1 4 4 1 o 458.942 286.171 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