data_WONG631_publ _pd_block_id 2013-02-15T16:28|WONG631|James_A._Kaduk|D2 _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2013-02-15T16:28 _audit_author_name "James A. Kaduk" _audit_update_record ; 2013-02-15T16:28 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 27 _refine_ls_goodness_of_fit_all 1.25 _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 "Gd2 Fe Co O6" _cell_length_a 5.50710(13) _cell_length_b 7.56175(13) _cell_length_c 5.29200(8) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 220.376(9) _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 Gd Gd1 0.43832(26) 0.25 0.0136(5) 1.0 Uiso 0.0137(5) 4 Fe Fe2 0.0 0.0 0.0 0.5 Uiso 0.0092(10) 4 Co Co3 0.0 0.0 0.0 0.5 Uiso 0.0092(10) 4 O O4 0.5392(24) 0.25 0.5784(23) 1.0 Uiso 0.0066(27) 4 O O5 0.2009(14) 0.0540(13) 0.3056(15) 1.0 Uiso 0.0066(27) 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Co0.50 Fe0.50 Gd O3" _chemical_formula_weight 262.64 _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 Gd1 Gd1 3.8441(6) . -1_655 N Gd1 Gd1 3.8441(6) . -1_665 N Gd1 Gd1 3.920(4) . -2_454 N Gd1 Gd1 3.721(4) . -2_455 N Gd1 Gd1 3.920(4) . -2_554 N Gd1 Gd1 3.721(4) . -2_555 N Gd1 Fe2 3.0669(11) . 1_555 N Gd1 Fe2 3.3279(23) . 2_554 N Gd1 Fe2 3.2119(22) . 2_555 N Gd1 Fe2 3.0669(11) . 3_555 N Gd1 Fe2 3.3279(23) . 4_554 N Gd1 Fe2 3.2119(22) . 4_555 N Gd1 Co3 3.0669(11) . 1_555 N Gd1 Co3 3.3279(23) . 2_554 N Gd1 Co3 3.2119(22) . 2_555 N Gd1 Co3 3.0669(11) . 3_555 N Gd1 Co3 3.3279(23) . 4_554 N Gd1 Co3 3.2119(22) . 4_555 N Gd1 O4 2.369(13) . 1_554 N Gd1 O4 3.041(13) . 1_555 N Gd1 O4 2.251(13) . -2_455 N Gd1 O5 2.509(12) . 1_555 N Gd1 O5 2.662(11) . 2_554 N Gd1 O5 2.509(12) . 3_555 N Gd1 O5 2.662(11) . 4_554 N Gd1 O5 2.281(8) . -2_555 N Gd1 O5 2.281(8) . -4_555 N Fe2 Gd1 3.0669(11) . 1_555 N Fe2 Gd1 3.2119(22) . 2_544 N Fe2 Gd1 3.3279(23) . 2_545 N Fe2 Gd1 3.0669(11) . -1_555 N Fe2 Gd1 3.3279(23) . -2_454 N Fe2 Gd1 3.2119(22) . -2_455 N Fe2 O4 1.9475(29) . 2_544 N Fe2 O4 1.9475(29) . -2_455 N Fe2 O5 2.002(4) . 1_555 N Fe2 O5 1.984(4) . 4_554 N Fe2 O5 2.002(4) . -1_555 N Fe2 O5 1.984(4) . -4_455 N Co3 Gd1 3.0669(11) . 1_555 N Co3 Gd1 3.2119(22) . 2_544 N Co3 Gd1 3.3279(23) . 2_545 N Co3 Gd1 3.0669(11) . -1_555 N Co3 Gd1 3.3279(23) . -2_454 N Co3 Gd1 3.2119(22) . -2_455 N Co3 O4 1.9475(29) . 2_544 N Co3 O4 1.9475(29) . -2_455 N Co3 O5 2.002(4) . 1_555 N Co3 O5 1.984(4) . 4_554 N Co3 O5 2.002(4) . -1_555 N Co3 O5 1.984(4) . -4_455 N O4 Gd1 3.041(13) . 1_555 N O4 Gd1 2.369(13) . 1_556 N O4 Gd1 2.251(13) . -2_555 N O4 Fe2 1.9475(29) . 2_555 N O4 Fe2 1.9475(29) . 4_555 N O4 Co3 1.9475(29) . 2_555 N O4 Co3 1.9475(29) . 4_555 N O5 Gd1 2.509(12) . 1_555 N O5 Gd1 2.662(11) . 2_545 N O5 Gd1 2.281(8) . -2_455 N O5 Fe2 2.002(4) . 1_555 N O5 Fe2 1.984(4) . 4_555 N O5 Co3 2.002(4) . 1_555 N O5 Co3 1.984(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 Fe2 Gd1 Fe2 76.108(33) 1_555 . 3_555 N Fe2 Gd1 O4 99.31(25) 1_555 . 1_554 N Fe2 Gd1 O4 39.33(7) 1_555 . -2_566 N Fe2 Gd1 O5 40.54(10) 1_555 . 1_555 N Fe2 Gd1 O5 107.21(17) 1_555 . 2_554 N Fe2 Gd1 O5 88.19(16) 1_555 . 3_555 N Fe2 Gd1 O5 39.75(10) 1_555 . 4_554 N Fe2 Gd1 O5 155.40(17) 1_555 . -2_666 N Fe2 Gd1 O5 96.22(25) 1_555 . -4_656 N Fe2 Gd1 O4 99.31(25) 3_555 . 1_554 N Fe2 Gd1 O4 39.33(7) 3_555 . -2_566 N Fe2 Gd1 O5 88.19(16) 3_555 . 1_555 N Fe2 Gd1 O5 39.75(10) 3_555 . 2_554 N Fe2 Gd1 O5 40.54(10) 3_555 . 3_555 N Fe2 Gd1 O5 107.21(17) 3_555 . 4_554 N Fe2 Gd1 O5 96.22(25) 3_555 . -2_666 N Fe2 Gd1 O5 155.40(17) 3_555 . -4_656 N O4 Gd1 O4 91.07(35) 1_554 . -2_566 N O4 Gd1 O5 136.14(23) 1_554 . 1_555 N O4 Gd1 O5 70.46(18) 1_554 . 2_554 N O4 Gd1 O5 136.14(23) 1_554 . 3_555 N O4 Gd1 O5 70.46(18) 1_554 . 4_554 N O4 Gd1 O5 105.02(27) 1_554 . -2_666 N O4 Gd1 O5 105.02(27) 1_554 . -4_656 N O4 Gd1 O5 67.94(27) -2_566 . 1_555 N O4 Gd1 O5 68.24(21) -2_566 . 2_554 N O4 Gd1 O5 67.94(27) -2_566 . 3_555 N O4 Gd1 O5 68.24(21) -2_566 . 4_554 N O4 Gd1 O5 135.21(27) -2_566 . -2_666 N O4 Gd1 O5 135.21(27) -2_566 . -4_656 N O5 Gd1 O5 127.94(13) 1_555 . 2_554 N O5 Gd1 O5 72.4(4) 1_555 . 3_555 N O5 Gd1 O5 66.07(9) 1_555 . 4_554 N O5 Gd1 O5 117.11(25) 1_555 . -2_666 N O5 Gd1 O5 71.82(20) 1_555 . -4_656 N O5 Gd1 O5 66.07(9) 2_554 . 3_555 N O5 Gd1 O5 119.5(4) 2_554 . 4_554 N O5 Gd1 O5 78.2(4) 2_554 . -2_666 N O5 Gd1 O5 156.53(23) 2_554 . -4_656 N O5 Gd1 O5 127.94(13) 3_555 . 4_554 N O5 Gd1 O5 71.82(20) 3_555 . -2_666 N O5 Gd1 O5 117.11(25) 3_555 . -4_656 N O5 Gd1 O5 156.53(23) 4_554 . -2_666 N O5 Gd1 O5 78.2(4) 4_554 . -4_656 N O5 Gd1 O5 81.0(6) -2_666 . -4_656 N Gd1 Fe2 Gd1 179.972 1_555 . -1_555 N Gd1 Fe2 O4 132.9(4) 1_555 . 2_544 N Gd1 Fe2 O4 47.1(4) 1_555 . -2_566 N Gd1 Fe2 O5 54.57(34) 1_555 . 1_555 N Gd1 Fe2 O5 59.05(33) 1_555 . 4_554 N Gd1 Fe2 O5 125.43(34) 1_555 . -1_555 N Gd1 Fe2 O5 120.95(33) 1_555 . -4_556 N Gd1 Fe2 O4 47.1(4) -1_555 . 2_544 N Gd1 Fe2 O4 132.9(4) -1_555 . -2_566 N Gd1 Fe2 O5 125.43(34) -1_555 . 1_555 N Gd1 Fe2 O5 120.95(33) -1_555 . 4_554 N Gd1 Fe2 O5 54.57(34) -1_555 . -1_555 N Gd1 Fe2 O5 59.05(33) -1_555 . -4_556 N O4 Fe2 O4 180.0 2_544 . -2_566 N O4 Fe2 O5 95.0(5) 2_544 . 1_555 N O4 Fe2 O5 90.2(4) 2_544 . 4_554 N O4 Fe2 O5 85.0(5) 2_544 . -1_555 N O4 Fe2 O5 89.8(4) 2_544 . -4_556 N O4 Fe2 O5 85.0(5) -2_566 . 1_555 N O4 Fe2 O5 89.8(4) -2_566 . 4_554 N O4 Fe2 O5 95.0(5) -2_566 . -1_555 N O4 Fe2 O5 90.2(4) -2_566 . -4_556 N O5 Fe2 O5 90.12(13) 1_555 . 4_554 N O5 Fe2 O5 180.0 1_555 . -1_555 N O5 Fe2 O5 89.88(13) 1_555 . -4_556 N O5 Fe2 O5 89.88(13) 4_554 . -1_555 N O5 Fe2 O5 180.0 4_554 . -4_556 N O5 Fe2 O5 90.12(13) -1_555 . -4_556 N O4 Co3 O4 180.0 2_544 . -2_566 N O4 Co3 O5 95.0(5) 2_544 . 1_555 N O4 Co3 O5 90.2(4) 2_544 . 4_554 N O4 Co3 O5 85.0(5) 2_544 . -1_555 N O4 Co3 O5 89.8(4) 2_544 . -4_556 N O4 Co3 O5 85.0(5) -2_566 . 1_555 N O4 Co3 O5 89.8(4) -2_566 . 4_554 N O4 Co3 O5 95.0(5) -2_566 . -1_555 N O4 Co3 O5 90.2(4) -2_566 . -4_556 N O5 Co3 O5 90.12(13) 1_555 . 4_554 N O5 Co3 O5 180.0 1_555 . -1_555 N O5 Co3 O5 89.88(13) 1_555 . -4_556 N O5 Co3 O5 89.88(13) 4_554 . -1_555 N O5 Co3 O5 180.0 4_554 . -4_556 N O5 Co3 O5 90.12(13) -1_555 . -4_556 N Gd1 O4 Gd1 116.0(5) 1_556 . -2_555 N Gd1 O4 Fe2 100.4(4) 1_556 . 2_555 N Gd1 O4 Fe2 100.4(4) 1_556 . 4_555 N Gd1 O4 Co3 100.4(4) 1_556 . 2_555 N Gd1 O4 Co3 100.4(4) 1_556 . 4_555 N Gd1 O4 Fe2 93.6(4) -2_656 . 2_555 N Gd1 O4 Fe2 93.6(4) -2_656 . 4_555 N Gd1 O4 Co3 93.6(4) -2_565 . 2_555 N Gd1 O4 Co3 93.6(4) -2_565 . 4_555 N Fe2 O4 Fe2 152.2(7) 2_555 . 4_555 N Fe2 O4 Co3 0.0 2_555 . 2_555 N Fe2 O4 Co3 152.2(7) 2_555 . 4_555 N Fe2 O4 Co3 152.2(7) 4_555 . 2_555 N Fe2 O4 Co3 0.0 4_555 . 4_555 N Co3 O4 Co3 152.2(7) 2_555 . 4_555 N Gd1 O5 Gd1 156.2(4) 1_555 . 2_545 N Gd1 O5 Gd1 101.8(4) 1_555 . -2_455 N Gd1 O5 Fe2 84.89(33) 1_555 . 1_555 N Gd1 O5 Fe2 90.5(4) 1_555 . 4_555 N Gd1 O5 Co3 84.89(33) 1_555 . 1_555 N Gd1 O5 Co3 90.5(4) 1_555 . 4_555 N Gd1 O5 Gd1 101.8(4) 2_545 . -2_455 N Gd1 O5 Fe2 89.9(4) 2_545 . 1_555 N Gd1 O5 Fe2 81.20(31) 2_545 . 4_555 N Gd1 O5 Co3 89.9(4) 2_545 . 1_555 N Gd1 O5 Co3 81.20(31) 2_545 . 4_555 N Gd1 O5 Fe2 96.95(24) -2_556 . 1_555 N Gd1 O5 Fe2 116.25(29) -2_556 . 4_555 N Gd1 O5 Co3 96.95(24) -2_465 . 1_555 N Gd1 O5 Co3 116.25(29) -2_465 . 4_555 N Fe2 O5 Fe2 146.7(4) 1_555 . 4_555 N Fe2 O5 Co3 0.0 1_555 . 1_555 N Fe2 O5 Co3 146.7(4) 1_555 . 4_555 N Fe2 O5 Co3 146.7(4) 4_555 . 1_555 N Fe2 O5 Co3 0.0 4_555 . 4_555 N Co3 O5 Co3 146.7(4) 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 Gd 4.0 0.000 0.000 25.0709 2.25341 19.0798 0.18195 13.8518 12.9331 3.54545 101.398 2.41960 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 0.0490 _pd_proc_ls_prof_wR_factor 0.0634 _pd_proc_ls_prof_wR_expected 0.0511 _refine_ls_R_Fsqd_factor 0.14640 _pd_proc_ls_background_function ; GSAS Background function number 1 with 6 terms. Shifted Chebyshev function of 1st kind 1: 344.570 2: -94.2260 3: 50.7684 4: -18.8774 5: 17.3431 6: -20.2546 ; _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 0.52840 _exptl_absorpt_correction_T_max 0.96805 # 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) = -0.9443 #9(sfec) = 0.00 #10(S/L) = 0.0168 #11(H/L) = 0.0200 #12(eta) = 0.9000 #13(S400 ) = 6.7E-01 #14(S040 ) = 2.4E-02 #15(S004 ) = 3.5E-02 #16(S220 ) = 3.4E-03 #17(S202 ) = 1.7E-02 #18(S022 ) = 3.4E-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 2013-02-15T16:28:21 _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 3468.0 . . . 3312.0 . . . 3223.0 . . . 3178.0 . . . 3196.0 . . . 3047.0 . . . 3062.0 . . . 2952.0 . . . 2978.0 . . . 2948.0 . . . 2840.0 . . . 2896.0 . . . 2814.0 . . . 2700.0 . . . 2733.0 . . . 2670.0 . . . 2703.0 . . . 2545.0 . . . 2684.0 . . . 2541.0 . . . 2492.0 . . . 2486.0 . . . 2365.0 . . . 2497.0 . . . 2348.0 . . . 2420.0 . . . 2399.0 . . . 2356.0 . . . 2326.0 . . . 2370.0 . . . 2347.0 . . . 2285.0 . . . 2328.0 . . . 2099.0 . . . 2236.0 . . . 2186.0 . . . 2269.0 . . . 2139.0 . . . 2124.0 . . . 2175.0 . . . 2235.0 . . . 2072.0 . . . 1968.0 . . . 2041.0 . . . 2089.0 . . . 2109.0 . . . 2048.0 . . . 1939.0 . . . 2010.0 . . . 2001.0 . . . 1877.0 . . . 1970.0 . . . 1972.0 . . . 1840.0 . . . 1844.0 . . . 1946.0 . . . 1862.0 . . . 1785.0 . . . 1845.0 . . . 1816.0 . . . 1793.0 . . . 1760.0 . . . 1763.0 . . . 1712.0 . . . 1735.0 . . . 1671.0 . . . 1747.0 . . . 1724.0 . . . 1645.0 . . . 1688.0 . . . 1677.0 . . . 1575.0 . . . 1714.0 . . . 1662.0 . . . 1489.0 . . . 1605.0 . . . 1640.0 . . . 1669.0 . . . 1555.0 . . . 1518.0 . . . 1505.0 . . . 1516.0 . . . 1498.0 . . . 1535.0 . . . 1450.0 . . . 1430.0 . . . 1411.0 . . . 1472.0 . . . 1402.0 . . . 1447.0 . . . 1404.0 . . . 1363.0 . . . 1408.0 . . . 1437.0 . . . 1297.0 . . . 1331.0 . . . 1279.0 . . . 1395.0 . . . 1328.0 . . . 1322.0 . . . 1366.0 . . . 1192.0 . . . 1229.0 . . . 1228.0 . . . 1298.0 . . . 1235.0 . . . 1172.0 . . . 1253.0 . . . 1250.0 . . . 1198.0 . . . 1198.0 . . . 1249.0 . . . 1171.0 . . . 1108.0 . . . 1212.0 . . . 1202.0 . . . 1129.0 . . . 1164.0 . . . 1109.0 . . . 1102.0 . . . 1178.0 . . . 1170.0 . . . 1071.0 . . . 1087.0 . . . 1170.0 . . . 1053.0 . . . 1016.0 . . . 1095.0 . . . 1037.0 . . . 1057.0 . . . 1033.0 . . . 1070.0 . . . 1028.0 . . . 1018.0 . . . 1067.0 . . . 992.0 . . . 996.0 . . . 1002.0 . . . 1035.0 . . . 975.0 . . . 961.0 . . . 944.0 . . . 970.0 . . . 948.0 . . . 1009.0 . . . 959.0 . . . 946.0 . . . 889.0 . . . 978.0 . . . 959.0 . . . 960.0 . . . 902.0 . . . 880.0 . . . 917.0 . . . 888.0 . . . 849.0 . . . 867.0 . . . 833.0 . . . 877.0 . . . 858.0 . . . 836.0 . . . 841.0 . . . 836.0 . . . 829.0 . . . 773.0 . . . 828.0 . . . 849.0 . . . 853.0 . . . 837.0 . . . 776.0 . . . 813.0 . . . 808.0 . . . 815.0 . . . 842.0 . . . 786.0 . . . 825.0 . . . 759.0 . . . 784.0 . . . 800.0 . . . 733.0 . . . 764.0 . . . 798.0 . . . 759.0 . . . 773.0 . . . 745.0 . . . 698.0 . . . 820.0 . . . 695.0 . . . 772.0 . . . 806.0 . . . 781.0 . . . 726.0 . . . 691.0 . . . 733.0 . . . 737.0 . . . 755.0 . . . 693.0 . . . 749.0 . . . 719.0 . . . 743.0 . . . 693.0 . . . 770.0 . . . 696.0 . . . 727.0 . . . 717.0 . . . 666.0 . . . 687.0 . . . 744.0 . . . 736.0 . . . 741.0 . . . 694.0 . . . 648.0 . . . 748.0 . . . 688.0 . . . 696.0 . . . 740.0 . . . 725.0 . . . 735.0 . . . 735.0 . . . 737.0 . . . 708.0 . . . 665.0 . . . 660.0 . . . 668.0 . . . 690.0 . . . 672.0 . . . 636.0 . . . 652.0 . . . 724.0 . . . 632.0 . . . 661.0 . . . 680.0 . . . 673.0 . . . 679.0 . . . 691.0 . . . 629.0 . . . 710.0 . . . 671.0 . . . 676.0 . . . 668.0 . . . 706.0 . . . 649.0 . . . 663.0 . . . 656.0 . . . 680.0 . . . 685.0 . . . 649.0 . . . 644.0 . . . 649.0 . . . 644.0 . . . 633.0 . . . 622.0 . . . 665.0 . . . 643.0 . . . 670.0 . . . 666.0 . . . 651.0 . . . 637.0 . . . 621.0 . . . 627.0 . . . 666.0 . . . 647.0 . . . 646.0 . . . 641.0 . . . 680.0 . . . 693.0 . . . 675.0 . . . 657.0 . . . 654.0 . . . 612.0 . . . 656.0 . . . 619.0 . . . 598.0 . . . 573.0 . . . 635.0 . . . 642.0 . . . 643.0 . . . 665.0 . . . 584.0 . . . 662.0 . . . 548.0 . . . 592.0 . . . 664.0 . . . 609.0 . . . 646.0 . . . 646.0 . . . 577.0 . . . 649.0 . . . 683.0 . . . 559.0 . . . 618.0 . . . 590.0 . . . 598.0 . . . 576.0 . . . 642.0 . . . 630.0 . . . 630.0 . . . 603.0 . . . 646.0 . . . 629.0 . . . 635.0 . . . 686.0 . . . 635.0 . . . 611.0 . . . 603.0 . . . 634.0 . . . 659.0 . . . 623.0 . . . 618.0 . . . 615.0 . . . 599.0 . . . 614.0 . . . 591.0 . . . 612.0 . . . 625.0 . . . 639.0 . . . 676.0 . . . 636.0 . . . 642.0 . . . 626.0 . . . 668.0 . . . 691.0 . . . 634.0 . . . 672.0 . . . 649.0 . . . 654.0 . . . 632.0 . . . 679.0 . . . 674.0 . . . 675.0 . . . 665.0 . . . 656.0 . . . 648.0 . . . 675.0 . . . 659.0 . . . 607.0 . . . 674.0 . . . 629.0 . . . 673.0 . . . 630.0 . . . 706.0 . . . 666.0 . . . 685.0 . . . 694.0 . . . 661.0 . . . 704.0 . . . 684.0 . . . 655.0 . . . 694.0 . . . 729.0 . . . 673.0 . . . 676.0 . . . 733.0 . . . 701.0 . . . 706.0 . . . 722.0 . . . 738.0 . . . 735.0 . . . 704.0 . . . 724.0 . . . 722.0 . . . 701.0 . . . 689.0 . . . 691.0 . . . 712.0 . . . 711.0 . . . 756.0 . . . 667.0 . . . 733.0 . . . 748.0 . . . 753.0 . . . 673.0 . . . 735.0 . . . 734.0 . . . 710.0 . . . 689.0 . . . 731.0 . . . 712.0 . . . 695.0 . . . 692.0 . . . 721.0 . . . 674.0 . . . 703.0 . . . 714.0 . . . 731.0 . . . 707.0 . . . 752.0 . . . 658.0 . . . 730.0 . . . 692.0 . . . 716.0 . . . 696.0 . . . 694.0 . . . 696.0 . . . 737.0 . . . 681.0 . . . 627.0 . . . 678.0 . . . 712.0 . . . 676.0 . . . 699.0 . . . 677.0 . . . 747.0 . . . 702.0 . . . 655.0 . . . 717.0 . . . 742.0 . . . 669.0 . . . 729.0 . . . 741.0 . . . 710.0 . . . 696.0 . . . 705.0 . . . 717.0 . . . 709.0 . . . 681.0 . . . 677.0 . . . 701.0 . . . 685.0 . . . 677.0 . . . 678.0 . . . 660.0 . . . 715.0 . . . 630.0 . . . 677.0 . . . 686.0 . . . 733.0 . . . 693.0 . . . 691.0 . . . 685.0 . . . 707.0 . . . 708.0 . . . 711.0 . . . 663.0 . . . 679.0 . . . 712.0 . . . 679.0 . . . 679.0 . . . 724.0 . . . 734.0 . . . 679.0 . . . 649.0 . . . 653.0 . . . 694.0 . . . 701.0 . . . 682.0 . . . 701.0 . . . 710.0 . . . 664.0 . . . 675.0 . . . 694.0 . . . 691.0 . . . 680.0 . . . 675.0 . . . 680.0 . . . 671.0 . . . 676.0 . . . 674.0 . . . 695.0 . . . 638.0 . . . 608.0 . . . 654.0 . . . 705.0 . . . 636.0 . . . 667.0 . . . 634.0 . . . 667.0 . . . 713.0 . . . 638.0 . . . 637.0 . . . 678.0 . . . 693.0 . . . 642.0 . . . 636.0 . . . 676.0 . . . 661.0 . . . 700.0 . . . 680.0 . . . 665.0 . . . 663.0 . . . 675.0 . . . 674.0 . . . 664.0 . . . 657.0 . . . 725.0 . . . 684.0 . . . 683.0 . . . 662.0 . . . 642.0 . . . 668.0 . . . 633.0 . . . 604.0 . . . 650.0 . . . 700.0 . . . 675.0 . . . 646.0 . . . 694.0 . . . 679.0 . . . 622.0 . . . 652.0 . . . 656.0 . . . 634.0 . . . 647.0 . . . 648.0 . . . 610.0 . . . 599.0 . . . 641.0 . . . 621.0 . . . 646.0 . . . 646.0 . . . 649.0 . . . 646.0 . . . 640.0 . . . 691.0 . . . 624.0 . . . 642.0 . . . 619.0 . . . 642.0 . . . 637.0 . . . 589.0 . . . 670.0 . . . 671.0 . . . 673.0 . . . 630.0 . . . 632.0 . . . 674.0 . . . 626.0 . . . 659.0 . . . 669.0 . . . 677.0 . . . 662.0 . . . 680.0 . . . 610.0 . . . 680.0 . . . 629.0 . . . 617.0 . . . 644.0 . . . 622.0 . . . 638.0 . . . 619.0 . . . 652.0 . . . 589.0 . . . 624.0 . . . 613.0 . . . 627.0 . . . 668.0 . . . 649.0 . . . 620.0 . . . 630.0 . . . 641.0 . . . 625.0 . . . 632.0 . . . 618.0 . . . 631.0 . . . 605.0 . . . 657.0 . . . 618.0 . . . 634.0 . . . 625.0 . . . 667.0 . . . 650.0 . . . 600.0 . . . 599.0 . . . 643.0 . . . 592.0 . . . 631.0 . . . 605.0 . . . 646.0 . . . 617.0 . . . 639.0 . . . 591.0 . . . 637.0 . . . 599.0 . . . 657.0 . . . 591.0 . . . 649.0 . . . 651.0 . . . 572.0 . . . 627.0 . . . 620.0 . . . 600.0 . . . 599.0 . . . 605.0 . . . 627.0 . . . 649.0 . . . 624.0 . . . 607.0 . . . 625.0 . . . 637.0 . . . 605.0 . . . 630.0 . . . 622.0 . . . 633.0 . . . 626.0 . . . 617.0 . . . 627.0 . . . 599.0 . . . 600.0 . . . 631.0 . . . 613.0 . . . 581.0 . . . 579.0 . . . 641.0 . . . 617.0 . . . 571.0 . . . 623.0 . . . 596.0 . . . 578.0 . . . 632.0 . . . 586.0 . . . 629.0 . . . 598.0 . . . 641.0 . . . 569.0 . . . 628.0 . . . 609.0 . . . 618.0 . . . 557.0 . . . 610.0 . . . 612.0 . . . 624.0 . . . 601.0 . . . 600.0 . . . 604.0 . . . 574.0 . . . 596.0 . . . 572.0 . . . 611.0 . . . 589.0 . . . 569.0 . . . 594.0 . . . 549.0 . . . 590.0 . . . 609.0 . . . 622.0 . . . 638.0 . . . 546.0 . . . 569.0 . . . 599.0 . . . 605.0 . . . 577.0 . . . 578.0 . . . 589.0 . . . 586.0 . . . 582.0 . . . 593.0 . . . 589.0 . . . 577.0 . . . 558.0 . . . 543.0 . . . 590.0 . . . 591.0 . . . 627.0 . . . 552.0 . . . 565.0 . . . 593.0 . . . 581.0 . . . 573.0 . . . 566.0 . . . 528.0 . . . 564.0 . . . 583.0 . . . 586.0 . . . 625.0 . . . 562.0 . . . 597.0 . . . 559.0 . . . 589.0 . . . 610.0 . . . 580.0 . . . 557.0 . . . 574.0 . . . 571.0 . . . 594.0 . . . 549.0 . . . 564.0 . . . 579.0 . . . 547.0 . . . 537.0 . . . 574.0 . . . 518.0 . . . 557.0 . . . 596.0 . . . 569.0 . . . 554.0 . . . 546.0 . . . 542.0 . . . 540.0 . . . 502.0 . . . 525.0 . . . 556.0 . . . 568.0 . . . 540.0 . . . 576.0 . . . 569.0 . . . 518.0 . . . 514.0 . . . 571.0 . . . 513.0 . . . 562.0 . . . 577.0 . . . 532.0 . . . 591.0 . . . 512.0 . . . 550.0 . . . 543.0 . . . 553.0 . . . 555.0 . . . 556.0 . . . 543.0 . . . 540.0 . . . 561.0 . . . 550.0 . . . 521.0 . . . 552.0 . . . 538.0 . . . 542.0 . . . 545.0 . . . 556.0 . . . 544.0 . . . 558.0 . . . 559.0 . . . 539.0 . . . 559.0 . . . 531.0 . . . 531.0 . . . 624.0 . . . 530.0 . . . 594.0 . . . 538.0 . . . 552.0 . . . 542.0 . . . 587.0 . . . 522.0 . . . 544.0 . . . 587.0 . . . 559.0 . . . 563.0 . . . 553.0 . . . 525.0 . . . 534.0 . . . 515.0 . . . 521.0 . . . 508.0 0.001969 546.03943 546.36920 542.0 0.001845 545.57990 545.93634 524.0 0.001908 545.12122 545.50775 592.0 0.001689 544.66333 545.08411 554.0 0.001805 544.20624 544.66595 512.0 0.001953 543.74994 544.25439 490.0 0.002041 543.29456 543.85046 525.0 0.001905 542.83990 543.45581 518.0 0.001931 542.38611 543.07202 524.0 0.001908 541.93323 542.70215 534.0 0.001873 541.48102 542.34924 527.0 0.001898 541.02960 542.01782 531.0 0.001883 540.57916 541.71423 576.0 0.001736 540.12939 541.44739 534.0 0.001873 539.68042 541.23010 498.0 0.002008 539.23236 541.08179 562.0 0.001779 538.78510 541.03278 467.0 0.002141 538.33856 541.13312 559.0 0.001789 537.89288 541.47455 569.0 0.001757 537.44806 542.26550 546.0 0.001832 537.00397 544.05145 534.0 0.001873 536.56067 548.02252 534.0 0.001873 536.11816 555.83282 558.0 0.001792 535.67651 569.05237 624.0 0.001603 535.23566 591.63177 619.0 0.001616 534.79553 619.81641 626.0 0.001597 534.35632 638.22437 596.0 0.001678 533.91785 624.39569 609.0 0.001642 533.48010 604.10718 616.0 0.001623 533.04321 585.17639 587.0 0.001704 532.60718 562.23761 546.0 0.001832 532.17188 547.30945 557.0 0.001795 531.73743 540.32654 525.0 0.001905 531.30359 537.02142 489.0 0.002045 530.87079 535.05322 515.0 0.001942 530.43860 533.64996 518.0 0.001931 530.00720 532.55487 502.0 0.001992 529.57672 531.64899 510.0 0.001961 529.14685 530.86664 494.0 0.002024 528.71783 530.16876 540.0 0.001852 528.28973 529.53070 509.0 0.001965 527.86230 528.93604 576.0 0.001736 527.43561 528.37402 517.0 0.001934 527.00977 527.83710 551.0 0.001815 526.58478 527.31976 514.0 0.001946 526.16040 526.81769 502.0 0.001992 525.73694 526.32825 522.0 0.001916 525.31415 525.84912 559.0 0.001789 524.89215 525.37842 529.0 0.001890 524.47101 524.91498 537.0 0.001862 524.05060 524.45752 569.0 0.001757 523.63086 524.00519 567.0 0.001764 523.21204 523.55768 554.0 0.001805 522.79395 523.11407 550.0 0.001818 522.37659 522.67389 547.0 0.001828 521.96002 522.23682 552.0 0.001812 521.54419 521.80255 516.0 0.001938 521.12927 521.37097 539.0 0.001855 520.71497 520.94159 547.0 0.001828 520.30145 520.51440 548.0 0.001825 519.88879 520.08923 536.0 0.001866 519.47675 519.54620 557.0 0.001795 519.06549 519.13104 515.0 0.001942 518.65509 518.71698 545.0 0.001835 518.24542 518.24591 575.0 0.001739 517.83649 517.83698 584.0 0.001712 517.42834 517.42883 518.0 0.001931 517.02094 517.02136 529.0 0.001890 516.61420 516.61462 555.0 0.001802 516.20831 516.20880 534.0 0.001873 515.80322 515.80365 550.0 0.001818 515.39874 515.39917 551.0 0.001815 514.99512 514.99561 507.0 0.001972 514.59229 514.59271 560.0 0.001786 514.19000 514.19049 455.0 0.002198 513.78876 513.78918 563.0 0.001776 513.38812 513.38855 530.0 0.001887 512.98816 512.98865 539.0 0.001855 512.58905 512.58948 564.0 0.001773 512.19067 512.19110 510.0 0.001961 511.79291 511.79337 486.0 0.002058 511.39612 511.39655 475.0 0.002105 510.99988 511.00031 507.0 0.001972 510.60446 510.60489 490.0 0.002041 510.20984 510.21021 585.0 0.001709 509.81577 509.81619 528.0 0.001894 509.42267 509.42307 501.0 0.001996 509.03018 509.03061 536.0 0.001866 508.63840 508.63882 511.0 0.001957 508.24744 508.24789 571.0 0.001751 507.85718 507.85754 512.0 0.001953 507.46753 507.46796 488.0 0.002049 507.07883 507.07925 576.0 0.001736 506.69073 506.69116 503.0 0.001988 506.30341 506.30380 491.0 0.002037 505.91675 505.91721 547.0 0.001828 505.53094 505.53131 547.0 0.001828 505.14572 505.14609 525.0 0.001905 504.76138 504.76172 477.0 0.002096 504.37769 504.37805 502.0 0.001992 503.99469 503.99512 504.0 0.001984 503.61246 503.61285 492.0 0.002033 503.23093 503.23129 524.0 0.001908 502.85004 502.85043 478.0 0.002092 502.47000 502.47043 490.0 0.002041 502.09064 502.09106 524.0 0.001908 501.71204 501.71243 497.0 0.002012 501.33417 501.33453 486.0 0.002058 500.95691 500.95728 493.0 0.002028 500.58032 500.58069 496.0 0.002016 500.20465 500.20502 494.0 0.002024 499.82956 499.82996 494.0 0.002024 499.45526 499.45566 480.0 0.002083 499.08163 499.08197 532.0 0.001880 498.70868 498.70905 525.0 0.001905 498.33655 498.33691 545.0 0.001835 497.96503 497.96539 466.0 0.002146 497.59415 497.59454 455.0 0.002198 497.22412 497.22449 504.0 0.001984 496.85474 496.85510 540.0 0.001852 496.48602 497.49887 514.0 0.001946 496.11816 497.17731 502.0 0.001992 495.75089 496.85959 484.0 0.002066 495.38431 497.05286 505.0 0.001980 495.01843 496.76724 491.0 0.002037 494.65329 496.48834 503.0 0.001988 494.28879 496.21655 457.0 0.002188 493.92514 495.95285 490.0 0.002041 493.56204 495.69775 496.0 0.002016 493.19968 495.45221 475.0 0.002105 492.83807 495.21729 502.0 0.001992 492.47708 494.99402 538.0 0.001859 492.11679 494.78381 502.0 0.001992 491.75723 494.58817 492.0 0.002033 491.39835 494.40881 514.0 0.001946 491.04016 494.24783 531.0 0.001883 490.68271 494.10767 499.0 0.002004 490.32581 493.99094 473.0 0.002114 489.96979 493.90121 493.0 0.002028 489.61429 493.84241 502.0 0.001992 489.25955 493.81927 489.0 0.002045 488.90552 494.91290 502.0 0.001992 488.55215 495.04367 531.0 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291.0 0.003436 280.85861 288.81512 295.0 0.003390 280.82217 288.01764 303.0 0.003300 280.78574 287.13519 294.0 0.003401 280.74939 286.30325 289.0 0.003460 280.71313 285.58539 298.0 0.003356 280.67688 284.99554 285.0 0.00351 280.64069 284.52676 264.0 0.00379 280.60455 284.15817 299.0 0.003344 280.56848 283.87302 292.0 0.003425 280.53247 283.65482 299.0 0.003344 280.49652 283.48938 284.0 0.00352 280.46057 283.36581 284.0 0.00352 280.42471 283.28046 281.0 0.00356 280.38895 283.25186 286.0 0.003497 280.35321 283.21204 291.0 0.003436 280.31754 283.19202 300.0 0.003333 280.28189 283.18982 284.0 0.00352 280.24631 283.20413 297.0 0.003367 280.21075 283.23434 266.0 0.00376 280.17529 283.28024 295.0 0.003390 280.13986 283.34174 300.0 0.003333 280.10452 283.41953 305.0 0.003279 280.06924 283.51425 284.0 0.00352 280.03397 283.62692 272.0 0.00368 279.99881 283.75916 262.0 0.00382 279.96368 283.91257 296.0 0.003378 279.92865 284.09198 279.0 0.00358 279.89355 284.29517 295.0 0.003390 279.85858 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278.86945 366.50705 351.0 0.002849 278.83615 354.57401 328.0 0.003049 278.80298 344.71283 356.0 0.002809 278.76990 337.47873 314.0 0.003185 278.73679 332.95782 340.0 0.002941 278.70377 331.03293 330.0 0.003030 278.67081 331.49030 352.0 0.002841 278.63797 334.21060 309.0 0.003236 278.60513 338.06934 337.0 0.002967 278.57236 342.08221 342.0 0.002924 278.53961 344.49112 333.0 0.003003 278.50696 343.67450 352.0 0.002841 278.47440 339.24966 318.0 0.003145 278.44186 332.32407 321.0 0.003115 278.40939 324.54041 292.0 0.003425 278.37695 317.25323 307.0 0.003257 278.34464 310.78381 323.0 0.003096 278.31235 305.40701 329.0 0.003040 278.28006 301.05392 300.0 0.003333 278.24792 297.57721 277.0 0.00361 278.21576 294.81534 282.0 0.00355 278.18375 292.73563 303.0 0.003300 278.15173 290.98196 266.0 0.00376 278.11981 289.56503 286.0 0.003497 278.08795 288.40579 314.0 0.003185 278.05615 287.44522 262.0 0.00382 278.02435 286.63873 287.0 0.003484 277.99268 285.95471 297.0 0.003367 277.96103 285.37015 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270.75153 280.09113 284.0 0.00352 270.75320 279.79333 270.0 0.00370 270.75488 279.58902 233.0 0.00429 270.75668 279.46530 294.0 0.003401 270.75854 279.41354 291.0 0.003436 270.76044 279.42798 262.0 0.00382 270.76248 279.50583 296.0 0.003378 270.76456 280.00763 291.0 0.003436 270.76666 280.22141 287.0 0.003484 270.76892 280.50137 284.0 0.00352 270.77127 280.85172 275.0 0.00364 270.77368 281.27899 304.0 0.003289 270.77609 281.79141 281.0 0.00356 270.77866 282.40076 260.0 0.00385 270.78128 283.12173 290.0 0.003448 270.78391 283.97284 287.0 0.003484 270.78671 284.97900 273.0 0.00366 270.78955 286.17130 305.0 0.003279 270.79251 287.59158 289.0 0.003460 270.79547 289.29453 302.0 0.003311 270.79855 291.35611 285.0 0.00351 270.80173 293.88196 275.0 0.00364 270.80499 297.03387 342.0 0.002924 270.80826 301.06152 318.0 0.003145 270.81168 306.53622 332.0 0.003012 270.81512 313.70215 326.0 0.003067 270.81863 323.62091 392.0 0.002551 270.82230 337.48846 384.0 0.002604 270.82593 356.74326 435.0 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337.55017 355.0 0.002817 270.97189 325.43515 309.0 0.003236 270.97791 316.89474 322.0 0.003106 270.98401 311.14188 320.0 0.003125 270.99020 307.51950 312.0 0.003205 270.99646 305.56522 305.0 0.003279 271.00281 305.01169 318.0 0.003145 271.00925 305.75766 322.0 0.003106 271.01572 307.83200 325.0 0.003077 271.02231 311.35120 365.0 0.002740 271.02890 316.45947 359.0 0.002786 271.03564 323.25653 334.0 0.002994 271.04245 331.96689 372.0 0.002688 271.04929 343.66721 400.0 0.002500 271.05624 360.67371 431.0 0.002320 271.06323 385.48764 456.0 0.002193 271.07034 418.69791 451.0 0.002217 271.07748 455.46408 452.0 0.002212 271.08472 481.04471 478.0 0.002092 271.09207 477.79669 416.0 0.002404 271.09943 447.41696 442.0 0.002262 271.10693 408.31412 402.0 0.002488 271.11447 373.74689 402.0 0.002488 271.12207 347.69846 345.0 0.002899 271.12976 329.76443 347.0 0.002882 271.13754 318.20331 347.0 0.002882 271.14539 311.24646 360.0 0.002778 271.15326 307.57736 369.0 0.002710 271.16125 306.51212 317.0 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360.50394 359.0 0.002786 296.92856 356.62500 341.0 0.002933 296.91687 352.59094 354.0 0.002825 296.90512 348.55157 375.0 0.002667 296.89310 344.64630 374.0 0.002674 296.88089 341.00821 333.0 0.003003 296.86847 337.73163 339.0 0.002950 296.85587 334.85815 323.0 0.003096 296.84308 332.39874 344.0 0.002907 296.83002 330.35751 321.0 0.003115 296.81686 328.73843 345.0 0.002899 296.80344 327.54276 310.0 0.003226 296.78979 326.74850 317.0 0.003155 296.77600 326.32401 310.0 0.003226 296.76193 326.21680 343.0 0.002915 296.74774 326.35300 332.0 0.003012 296.73328 326.63892 293.0 0.003413 296.71869 326.96484 338.0 0.002959 296.70386 327.21933 349.0 0.002865 296.68884 327.30655 324.0 0.003086 296.67355 327.16794 305.0 0.003279 296.65811 326.78763 324.0 0.003086 296.64246 326.18033 291.0 0.003436 296.62659 325.36221 314.0 0.003185 296.61053 324.32852 323.0 0.003096 296.59424 323.06595 309.0 0.003236 296.57776 321.59073 333.0 0.003003 296.56104 319.95416 315.0 0.003175 296.54407 318.21051 301.0 0.003322 296.52701 316.40674 310.0 0.003226 296.50964 314.63242 293.0 0.003413 296.49216 312.87674 308.0 0.003247 296.47433 311.25562 310.0 0.003226 296.45639 309.80008 318.0 0.003145 296.43823 308.52161 308.0 0.003247 296.41983 307.41473 302.0 0.003311 296.40121 306.46231 302.0 0.003311 296.38235 305.64529 306.0 0.003268 296.36334 304.94403 278.0 0.00360 296.34406 304.34082 315.0 0.003175 296.32458 303.82022 282.0 0.00355 296.30490 303.36887 314.0 0.003185 296.28500 302.97617 318.0 0.003145 296.26489 302.69098 317.0 0.003155 296.24451 302.39072 322.0 0.003106 296.22394 302.12573 300.0 0.003333 296.20319 301.88934 306.0 0.003268 296.18219 301.67444 303.0 0.003300 296.16095 301.47394 330.0 0.003030 296.13947 301.28384 297.0 0.003367 296.11783 301.10303 313.0 0.003195 296.09592 300.93427 297.0 0.003367 296.07385 300.78024 322.0 0.003106 296.05151 300.64029 293.0 0.003413 296.02896 300.50839 315.0 0.003175 296.00616 300.37479 275.0 0.00364 295.98315 300.22998 291.0 0.003436 295.95990 300.07425 295.0 0.003390 295.93646 299.93475 286.0 0.003497 295.91278 299.78326 318.0 0.003145 295.88889 299.64273 300.0 0.003333 295.86472 299.51532 314.0 0.003185 295.84036 299.40079 318.0 0.003145 295.81577 299.29803 298.0 0.003356 295.79092 299.20529 290.0 0.003448 295.76590 299.12189 294.0 0.003401 295.74060 299.04599 286.0 0.003497 295.71506 298.97717 301.0 0.003322 295.68936 298.91467 310.0 0.003226 295.66336 298.85776 308.0 0.003247 295.63712 298.80624 273.0 0.00366 295.61069 298.79010 297.0 0.003367 295.58405 298.71643 325.0 0.003077 295.55713 298.68295 299.0 0.003344 295.52997 298.65585 298.0 0.003356 295.50256 298.63574 267.0 0.00375 295.47498 298.62326 326.0 0.003067 295.44711 298.61905 269.0 0.00372 295.41904 298.62372 310.0 0.003226 295.39066 298.63705 327.0 0.003058 295.36215 298.65775 300.0 0.003333 295.33334 298.68274 304.0 0.003289 295.30432 298.70761 308.0 0.003247 295.27502 298.72952 301.0 0.003322 295.24548 298.75116 296.0 0.003378 295.21573 298.77832 341.0 0.002933 295.18570 298.81732 310.0 0.003226 295.15549 298.87253 312.0 0.003205 295.12497 298.94724 297.0 0.003367 295.09424 299.04486 301.0 0.003322 295.06329 299.16922 307.0 0.003257 295.03207 299.32431 289.0 0.003460 295.00064 299.51590 324.0 0.003086 294.96890 299.75003 325.0 0.003077 294.93695 300.03436 341.0 0.002933 294.90479 300.37485 283.0 0.00353 294.87238 300.69620 301.0 0.003322 294.83960 301.16473 291.0 0.003436 294.80670 301.69293 298.0 0.003356 294.77350 302.26205 294.0 0.003401 294.74005 302.82968 331.0 0.003021 294.70639 303.32510 298.0 0.003356 294.67242 303.66373 338.0 0.002959 294.63828 303.78775 321.0 0.003115 294.60382 303.70932 289.0 0.003460 294.56912 303.50626 322.0 0.003106 294.53418 303.27658 314.0 0.003185 294.49905 303.10019 298.0 0.003356 294.46356 303.02560 308.0 0.003247 294.42783 303.07715 305.0 0.003279 294.39188 303.25708 337.0 0.002967 294.35571 303.55243 296.0 0.003378 294.31921 303.91214 308.0 0.003247 294.28250 304.27286 325.0 0.003077 294.24548 304.55768 323.0 0.003096 294.20831 304.72156 325.0 0.003077 294.17081 304.78867 331.0 0.003021 294.13306 304.84955 315.0 0.003175 294.09500 305.02554 316.0 0.003165 294.05676 305.43323 314.0 0.003185 294.01822 306.17255 337.0 0.002967 293.97940 307.32404 282.0 0.00355 293.94037 308.94547 327.0 0.003058 293.90103 311.05536 337.0 0.002967 293.86148 313.59055 329.0 0.003040 293.82162 316.33218 333.0 0.003003 293.78152 318.80206 325.0 0.003077 293.74115 320.32907 298.0 0.003356 293.70056 320.38177 330.0 0.003030 293.65964 318.98456 312.0 0.003205 293.61847 316.67270 305.0 0.003279 293.57703 314.06396 338.0 0.002959 293.53534 311.58466 298.0 0.003356 293.49338 309.45203 316.0 0.003165 293.45114 307.74521 278.0 0.00360 293.40860 306.46469 306.0 0.003268 293.36584 305.57071 317.0 0.003155 293.32278 305.00696 314.0 0.003185 293.27951 304.71161 305.0 0.003279 293.23593 304.62076 286.0 0.003497 293.19208 304.67224 310.0 0.003226 293.14792 304.81354 338.0 0.002959 293.10355 304.96649 315.0 0.003175 293.05884 305.12891 312.0 0.003205 293.01389 305.32288 313.0 0.003195 292.96869 305.59866 306.0 0.003268 292.92319 306.01367 294.0 0.003401 292.87741 306.62064 280.0 0.00357 292.83133 307.46423 308.0 0.003247 292.78497 308.58057 306.0 0.003268 292.73843 309.99237 341.0 0.002933 292.69153 311.69965 312.0 0.003205 292.64438 313.65018 314.0 0.003185 292.59695 315.69858 312.0 0.003205 292.54922 317.57822 322.0 0.003106 292.50119 318.97134 310.0 0.003226 292.45291 319.71512 346.0 0.002890 292.40439 319.94339 387.0 0.002584 292.35547 319.96631 339.0 0.002950 292.30634 320.06177 331.0 0.003021 292.25699 320.39169 334.0 0.002994 292.20728 321.02914 326.0 0.003067 292.15729 322.00632 337.0 0.002967 292.10699 323.34348 301.0 0.003322 292.05649 325.06531 327.0 0.003058 292.00558 327.20383 355.0 0.002817 291.95447 329.82718 336.0 0.002976 291.90305 332.89258 380.0 0.002632 291.85135 336.41537 364.0 0.002747 291.79938 340.29065 428.0 0.002336 291.74707 344.25806 366.0 0.002732 291.69449 347.85339 362.0 0.002762 291.64163 350.41022 357.0 0.002801 291.58847 351.31146 338.0 0.002959 291.53506 350.30212 351.0 0.002849 291.48132 347.64282 353.0 0.002833 291.42731 343.93631 350.0 0.002857 291.37292 339.80505 365.0 0.002740 291.31833 335.70013 307.0 0.003257 291.26340 331.87936 379.0 0.002639 291.20819 328.46454 316.0 0.003165 291.15268 325.49307 340.0 0.002941 291.09686 322.96280 352.0 0.002841 291.04077 320.84747 350.0 0.002857 290.98438 319.11087 306.0 0.003268 290.92767 317.70996 336.0 0.002976 290.87070 316.60535 325.0 0.003077 290.81339 315.76099 340.0 0.002941 290.75580 315.14764 326.0 0.003067 290.69788 314.74524 287.0 0.003484 290.63971 314.54395 313.0 0.003195 290.58118 314.54379 322.0 0.003106 290.52234 314.75598 301.0 0.003322 290.46323 315.19897 330.0 0.003030 290.40384 315.89404 327.0 0.003058 290.34412 316.85794 326.0 0.003067 290.28412 318.10678 317.0 0.003155 290.22379 319.56793 321.0 0.003115 290.16312 321.15305 313.0 0.003195 290.10220 322.65683 325.0 0.003077 290.04092 323.78223 296.0 0.003378 289.97937 324.22107 303.0 0.003300 289.91754 323.80875 334.0 0.002994 289.85532 322.62665 314.0 0.003185 289.79285 320.94656 330.0 0.003030 289.73004 319.07489 331.0 0.003021 289.66690 317.22842 311.0 0.003215 289.60355 315.49149 322.0 0.003106 289.53976 313.82263 307.0 0.003257 289.47574 312.11401 308.0 0.003247 289.41135 310.28510 316.0 0.003165 289.34674 308.36151 300.0 0.003333 289.28168 306.41837 313.0 0.003195 289.21637 304.62524 318.0 0.003145 289.15073 303.01099 312.0 0.003205 289.08478 301.59323 310.0 0.003226 289.01855 300.36371 302.0 0.003311 288.95193 299.30341 321.0 0.003115 288.88504 298.38937 332.0 0.003012 288.81781 297.59946 296.0 0.003378 288.75027 296.91379 312.0 0.003205 288.68243 296.31454 300.0 0.003333 288.61429 295.78854 328.0 0.003049 288.54575 295.32541 267.0 0.00375 288.47693 294.91782 276.0 0.00362 288.40778 294.56116 295.0 0.003390 288.33826 294.25351 314.0 0.003185 288.26849 293.99496 308.0 0.003247 288.19833 293.90353 292.0 0.003425 288.12787 293.75491 269.0 0.00372 288.05716 293.66928 283.0 0.00353 287.98602 293.65463 285.0 0.00351 287.91458 293.71799 288.0 0.003472 287.84277 293.86456 308.0 0.003247 287.77075 294.09268 289.0 0.003460 287.69833 294.38666 310.0 0.003226 287.62555 294.70673 314.0 0.003185 287.55246 294.98413 301.0 0.003322 287.47900 294.97757 277.0 0.00361 287.40530 294.96558 304.0 0.003289 287.33124 294.74960 308.0 0.003247 287.25681 294.36172 289.0 0.003460 287.18201 293.83994 290.0 0.003448 287.10699 293.23761 324.0 0.003086 287.03156 292.61270 323.0 0.003096 286.95581 292.01303 288.0 0.003472 286.87973 291.46689 266.0 0.00376 286.80328 290.98517 280.0 0.00357 286.72647 290.56766 284.0 0.00352 286.64935 290.20862 292.0 0.003425 286.57196 289.90021 276.0 0.00362 286.49417 289.63379 300.0 0.003333 286.41599 289.40253 311.0 0.003215 286.33752 289.19983 274.0 0.00365 286.25876 289.02081 302.0 0.003311 286.17960 288.86160 275.0 0.00364 286.10007 288.71933 273.0 0.00366 286.02026 288.59277 276.0 0.00362 285.94003 288.48062 279.0 0.00358 285.85950 288.44275 283.0 0.00353 285.77863 288.36179 289.0 0.003460 285.69739 288.29761 272.0 0.00368 285.61581 288.25146 323.0 0.003096 285.53391 288.22482 275.0 0.00364 285.45163 288.21863 289.0 0.003460 285.36896 288.23224 276.0 0.00362 285.28604 288.26224 285.0 0.00351 285.20270 288.30017 307.0 0.003257 285.11899 288.32993 313.0 0.003195 285.03503 288.33548 311.0 0.003215 284.95062 288.28250 268.0 0.00373 284.86591 288.16708 306.0 0.003268 284.78079 287.99756 285.0 0.00351 284.69534 287.79507 271.0 0.00369 284.60956 287.58273 284.0 0.00352 284.52338 287.37695 290.0 0.003448 284.43689 287.18668 317.0 0.003155 284.35004 287.01587 275.0 0.00364 284.26282 286.86511 282.0 0.00355 284.17520 286.73337 280.0 0.00357 284.08725 286.61908 306.0 0.003268 283.99899 286.52054 304.0 0.003289 283.91031 286.43613 288.0 0.003472 283.82129 286.36432 289.0 0.003460 283.73184 286.30435 254.0 0.00394 283.64209 286.25549 277.0 0.00361 283.55203 286.21796 284.0 0.00352 283.46152 286.19125 319.0 0.003135 283.37067 286.17679 278.0 0.00360 283.27948 286.17584 289.0 0.003460 283.18790 286.18970 290.0 0.003448 283.09592 286.22089 283.0 0.00353 283.00363 286.27219 289.0 0.003460 282.91101 286.34732 285.0 0.00351 282.81790 286.45029 289.0 0.003460 282.72449 286.58646 277.0 0.00361 282.63068 286.76132 291.0 0.003436 282.53650 286.98126 293.0 0.003413 282.44202 287.25360 305.0 0.003279 282.34711 287.58514 296.0 0.003378 282.25192 287.98264 314.0 0.003185 282.15619 288.45209 302.0 0.003311 282.06021 288.99606 278.0 0.00360 281.96375 289.61246 296.0 0.003378 281.86707 290.29019 284.0 0.00352 281.76984 291.00327 275.0 0.00364 281.67233 291.70813 266.0 0.00376 281.57440 292.34006 276.0 0.00362 281.47607 292.82257 300.0 0.003333 281.37747 293.08511 309.0 0.003236 281.27841 293.08917 303.0 0.003300 281.17896 292.84454 338.0 0.002959 281.07919 292.40591 303.0 0.003300 280.97900 291.85129 307.0 0.003257 280.87842 291.25867 295.0 0.003390 280.77747 290.68988 322.0 0.003106 280.67618 290.18848 312.0 0.003205 280.57440 289.78091 284.0 0.00352 280.47229 289.48343 273.0 0.00366 280.36981 289.30637 288.0 0.003472 280.26691 289.25720 274.0 0.00365 280.16367 289.34299 266.0 0.00376 280.06003 289.57150 281.0 0.00356 279.95602 289.95120 303.0 0.003300 279.85159 290.49225 289.0 0.003460 279.74670 291.20450 308.0 0.003247 279.64148 292.09714 290.0 0.003448 279.53586 293.17572 306.0 0.003268 279.42990 294.43832 285.0 0.00351 279.32349 295.86761 _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 500.219 567.382 180.00 4.33570 1.02 0 1 1 2 o 720.732 567.382 180.00 4.33570 0.80 1 0 1 1 o 10008.011 9792.231 180.00 3.81579 13.45 1 0 1 2 o 10045.712 9792.231 180.00 3.81579 6.73 0 2 0 1 o 14286.458 14073.914 180.00 3.78087 9.67 0 2 0 2 o 14629.240 14073.914 180.00 3.78087 4.98 1 1 1 1 o 6319.980 6824.594 180.00 3.40663 15.42 1 1 1 2 o 6070.703 6824.594 180.00 3.40663 7.26 2 0 0 1 o 41889.65 45696.73 0.00 2.75355 17.54 2 0 0 2 o 41921.70 45696.73 0.00 2.75355 8.74 1 2 1 1 o 61778.65 61975.00 0.00 2.68574 100.00 1 2 1 2 o 59159.68 61975.00 0.00 2.68574 47.01 0 0 2 1 o 78326.89 68433.00 0.00 2.64600 32.02 0 0 2 2 o 75792.52 68433.00 0.00 2.64600 15.28 2 1 0 1 o 13560.920 15199.278 0.00 2.58735 9.14 2 1 0 2 o 13803.602 15199.278 0.00 2.58735 4.67 2 0 1 1 o -41.261 46.728 180.00 2.44267 0.00 2 0 1 2 o -41.261 46.728 180.00 2.44267 0.00 1 0 2 1 o -99.987 316.892 0.00 2.38499 0.00 1 0 2 2 o -99.987 316.892 0.00 2.38499 0.00 2 1 1 1 o 91.208 56.452 0.00 2.32441 0.22 2 1 1 2 o 55.401 56.452 0.00 2.32441 0.08 0 3 1 1 o 877.046 687.635 180.00 2.27564 0.83 0 3 1 2 o 910.666 687.635 180.00 2.27564 0.43 1 1 2 1 o 2981.528 2489.772 0.00 2.27454 3.95 1 1 2 2 o 2982.469 2489.772 0.00 2.27454 1.97 2 2 0 1 o 9663.495 11115.292 180.00 2.22582 5.04 2 2 0 2 o 8656.324 11115.292 180.00 2.22582 2.14 0 2 2 1 o 23425.307 21793.330 180.00 2.16785 12.32 0 2 2 2 o 23301.691 21793.330 180.00 2.16785 6.09 1 3 1 1 o 7208.500 7370.546 0.00 2.10315 7.36 1 3 1 2 o 7161.694 7370.546 0.00 2.10315 3.63 2 2 1 1 o 948.311 988.116 180.00 2.05173 1.08 2 2 1 2 o 576.394 988.116 180.00 2.05173 0.30 1 2 2 1 o 550.030 671.790 0.00 2.01719 0.57 1 2 2 2 o 603.625 671.790 0.00 2.01719 0.31 2 0 2 1 o 50623.13 51941.93 0.00 1.90789 22.05 2 0 2 2 o 50108.02 51941.93 0.00 1.90789 10.83 0 4 0 1 o 74689.13 75158.59 0.00 1.89044 15.69 0 4 0 2 o 70163.38 75158.59 0.00 1.89044 7.20 2 3 0 1 o 16775.746 17718.053 180.00 1.85924 6.38 2 3 0 2 o 16902.209 17718.053 180.00 1.85924 3.21 2 1 2 1 o 15823.036 15045.815 0.00 1.84992 12.15 2 1 2 2 o 15737.373 15045.815 0.00 1.84992 6.00 2 3 1 1 o 2696.657 627.465 0.00 1.75413 2.44 3 0 1 1 o 1856.395 333.092 0.00 1.73432 0.98 2 3 1 2 o 2583.927 627.465 0.00 1.75413 1.16 3 0 1 2 o 1422.276 333.092 0.00 1.73432 0.39 1 3 2 1 o 2262.006 1192.290 180.00 1.73240 1.81 1 3 2 2 o 2357.407 1192.290 180.00 1.73240 0.94 0 1 3 1 o 715.765 463.758 180.00 1.71788 0.24 0 1 3 2 o 736.790 463.758 180.00 1.71788 0.13 3 1 1 1 o 28783.963 27371.213 180.00 1.69043 18.64 2 2 2 1 o 2683.097 2088.635 180.00 1.70331 1.56 3 1 1 2 o 27682.521 27371.213 180.00 1.69043 8.80 2 2 2 2 o 2599.404 2088.635 180.00 1.70331 0.74 1 4 1 1 o 6223.583 5967.871 180.00 1.69395 3.40 1 4 1 2 o 5938.440 5967.871 180.00 1.69395 1.57 1 0 3 1 o 6614.251 5708.687 180.00 1.67992 1.89 1 0 3 2 o 7477.255 5708.687 180.00 1.67992 1.12 1 1 3 1 o 7802.955 4784.142 180.00 1.63994 5.36 1 1 3 2 o 8649.607 4784.142 180.00 1.63994 3.01 3 2 1 1 o 18106.518 14999.886 0.00 1.57639 11.03 3 2 1 2 o 16473.783 14999.886 0.00 1.57639 4.88 2 4 0 1 o 32532.451 33680.762 0.00 1.55849 9.04 2 4 0 2 o 30785.229 33680.762 0.00 1.55849 4.18 0 4 2 1 o 54226.33 48564.72 0.00 1.53819 15.06 0 4 2 2 o 52560.16 48564.72 0.00 1.53819 7.19 1 2 3 1 o 46228.76 42929.47 0.00 1.53520 25.41 1 2 3 2 o 45457.66 42929.47 0.00 1.53520 12.37 2 3 2 1 o 9876.062 8867.178 180.00 1.52124 4.96 3 0 2 1 o 1521.826 745.276 180.00 1.50827 0.46 2 3 2 2 o 9587.284 8867.178 180.00 1.52124 2.37 3 0 2 2 o 1510.559 745.276 180.00 1.50827 0.22 2 4 1 1 o 452.313 83.730 0.00 1.49501 0.29 2 4 1 2 o 246.715 83.730 0.00 1.49501 0.07 3 1 2 1 o 562.025 199.695 0.00 1.47913 0.34 3 1 2 2 o 781.182 199.695 0.00 1.47913 0.24 2 0 3 1 o 4684.787 1741.413 0.00 1.48534 1.44 2 0 3 2 o 3342.510 1741.413 0.00 1.48534 0.50 1 4 2 1 o 22.922 12.665 180.00 1.48149 0.01 1 4 2 2 o 33.900 12.665 180.00 1.48149 0.01 2 1 3 1 o 648.714 377.252 180.00 1.45749 0.33 0 5 1 1 o 1696.136 996.401 180.00 1.45413 0.50 2 1 3 2 o 546.630 377.252 180.00 1.45749 0.13 0 5 1 2 o 2069.167 996.401 180.00 1.45413 0.31 0 3 3 1 o 1430.311 1325.068 0.00 1.44523 0.33 0 3 3 2 o 842.535 1325.068 0.00 1.44523 0.07 3 3 1 1 o 15998.608 19808.471 0.00 1.42878 6.36 3 3 1 2 o 14406.804 19808.471 0.00 1.42878 2.68 3 2 2 1 o 69.366 67.054 0.00 1.40091 0.03 3 2 2 2 o 49.099 67.054 0.00 1.40091 0.01 1 5 1 1 o 2357.527 2541.485 180.00 1.40595 0.93 1 5 1 2 o 1933.488 2541.485 180.00 1.40595 0.34 1 3 3 1 o 1104.555 1331.450 0.00 1.39790 0.37 4 0 0 1 o 2194.855 5456.691 0.00 1.37678 0.20 1 3 3 2 o 650.040 1331.450 0.00 1.39790 0.05 4 0 0 2 o 775.853 5456.691 0.00 1.37678 0.00 2 2 3 1 o 252.177 686.766 180.00 1.38249 0.03 2 2 3 2 o 460.735 686.766 180.00 1.38249 0.07 4 1 0 1 o 14613.810 20131.750 0.00 1.35451 2.39 4 1 0 2 o 13940.767 20131.750 0.00 1.35451 1.09 4 0 1 1 o 721.447 1454.887 0.00 1.33242 0.15 4 0 1 2 o 762.349 1454.887 0.00 1.33242 0.08 2 4 2 1 o 25383.297 27063.639 0.00 1.34287 10.29 2 4 2 2 o 22485.000 27063.639 0.00 1.34287 4.33 4 1 1 1 o -0.040 0.159 0.00 1.31221 0.00 4 1 1 2 o 0.099 0.159 0.00 1.31221 0.00 2 5 0 2 o 6978.978 6401.572 0.00 1.32557 0.64 2 5 0 1 o 6938.708 6401.572 0.00 1.32557 1.28 0 0 4 1 o 36786.37 34866.691 0.00 1.32300 3.67 0 0 4 2 o 37266.02 34866.691 0.00 1.32300 1.86 4 2 0 1 o 526.692 2422.295 0.00 1.29367 0.03 4 2 0 2 o 645.259 2422.295 0.00 1.29367 0.03 3 3 2 1 o 176.612 708.276 180.00 1.29425 0.05 3 3 2 2 o 99.996 708.276 180.00 1.29425 0.00 2 5 1 1 o 253.713 191.049 0.00 1.28585 0.16 2 5 1 2 o 173.313 191.049 0.00 1.28585 0.06 3 4 1 1 o -8.365 38.322 0.00 1.27798 0.05 1 0 4 1 o 1501.426 1328.962 180.00 1.28640 0.33 3 4 1 2 o 42.050 38.322 0.00 1.27798 0.04 1 0 4 2 o 1076.059 1328.962 180.00 1.28640 0.11 2 3 3 1 o 42.922 48.710 0.00 1.27968 0.02 3 0 3 1 o 121.601 252.173 180.00 1.27193 0.00 1 5 2 1 o 939.541 1239.205 0.00 1.27721 0.34 2 3 3 2 o 35.792 48.710 0.00 1.27968 0.01 3 0 3 2 o 265.135 252.173 180.00 1.27193 0.02 1 5 2 2 o 1072.952 1239.205 0.00 1.27721 0.20 4 2 1 1 o 0.168 0.312 180.00 1.25667 0.01 4 2 1 2 o -2.219 0.312 180.00 1.25667 0.00 1 1 4 1 o 2569.135 2514.524 0.00 1.26818 0.94 1 1 4 2 o 2071.428 2514.524 0.00 1.26818 0.34 0 6 0 1 o 10088.697 11249.678 180.00 1.26029 0.80 3 1 3 1 o 12715.426 13736.852 180.00 1.25431 4.12 0 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