data_CURCUMIN-RB1-SC1_publ _pd_block_id 2014-06-11T13:56|CURCUMIN-RB1-SC1|Joel_Reid|CMCF-BM _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2014-06-11T13:56 _audit_author_name "Joel Reid" _audit_update_record ; 2014-06-11T13:56 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 295 _pd_char_colour ? # use ICDD colour descriptions _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.00 _computing_structure_refinement GSAS _refine_ls_number_parameters 117 _refine_ls_goodness_of_fit_all 1.24 _refine_ls_number_restraints 63 _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 295 _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 CURCUMIN _cell_length_a 12.69669(10) _cell_length_b 7.198518(27) _cell_length_c 19.95334(15) _cell_angle_alpha 90.0 _cell_angle_beta 95.1241(6) _cell_angle_gamma 90.0 _cell_volume 1816.394(16) _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M "P 1 2/n 1" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y,-z+1/2 -1 -x,-y,-z -2 +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 O O5 1.37556(21) 0.3774(6) 0.52367(14) 1.0 Uiso 0.0653(24) 4 C C23 1.3442(4) 0.3703(9) 0.59043(22) 1.0 Uiso 0.0454(28) 4 H H23A 1.28527 0.47802 0.59645 1.0 Uiso 0.059(4) 4 H H23B 1.41326 0.39132 0.62605 1.0 Uiso 0.059(4) 4 H H23C 1.30965 0.23527 0.59804 1.0 Uiso 0.059(4) 4 C C7 1.01312(29) 0.2288(9) 0.42509(21) 1.0 Uiso 0.0218(30) 4 H H7 0.95955 0.24057 0.37972 1.0 Uiso 0.028(4) 4 C C5 1.12636(4) 0.2694(4) 0.42143(10) 1.0 Uiso 0.0207(27) 4 C C6 1.19481(15) 0.31207(33) 0.47743(5) 1.0 Uiso 0.0170(23) 4 C C1 1.30125(13) 0.33477(31) 0.47148(6) 1.0 Uiso 0.0308(30) 4 C C2 1.34132(4) 0.3138(4) 0.40906(10) 1.0 Uiso 0.058(4) 4 C C3 1.27469(15) 0.27324(33) 0.35343(5) 1.0 Uiso 0.0311(30) 4 C C4 1.16755(12) 0.25113(31) 0.35951(6) 1.0 Uiso 0.0478(28) 4 H H3 1.30561(27) 0.2581(6) 0.30454(9) 1.0 Uiso 0.041(4) 4 H H4 1.11471(22) 0.2190(6) 0.31500(11) 1.0 Uiso 0.062(4) 4 H H6 1.16421(27) 0.3277(6) 0.52640(9) 1.0 Uiso 0.0221(30) 4 O O1 1.44599(21) 0.3378(6) 0.40249(18) 1.0 Uiso 0.0536(19) 4 H H1O 1.48998 0.29717 0.44367 1.0 Uiso 0.0696(24) 4 C C13 0.64320(30) 0.2072(8) 0.64717(23) 1.0 Uiso 0.0269(28) 4 H H13 0.70055 0.31863 0.65636 1.0 Uiso 0.035(4) 4 C C14 0.57679(19) 0.19978(35) 0.69956(9) 1.0 Uiso 0.0442(35) 4 C C15 0.58614(17) 0.32921(25) 0.75043(13) 1.0 Uiso 0.0532(29) 4 C C16 0.52385(20) 0.31756(26) 0.80358(9) 1.0 Uiso 0.0397(27) 4 C C17 0.45372(19) 0.17573(35) 0.80779(9) 1.0 Uiso 0.0521(31) 4 C C18 0.44566(17) 0.04107(24) 0.75774(13) 1.0 Uiso 0.0554(35) 4 C C19 0.50545(20) 0.05314(26) 0.70369(9) 1.0 Uiso 0.0307(31) 4 H H15 0.64314(30) 0.4418(5) 0.74884(23) 1.0 Uiso 0.069(4) 4 H H16 0.5309(4) 0.4233(5) 0.84274(16) 1.0 Uiso 0.0516(35) 4 H H19 0.4971(4) -0.0513(5) 0.66411(16) 1.0 Uiso 0.040(4) 4 O O4 0.39470(32) 0.1637(6) 0.86186(18) 1.0 Uiso 0.0637(19) 4 H H4O 0.35814 0.04246 0.86605 1.0 Uiso 0.0829(25) 4 O O6 0.38302(27) -0.1055(4) 0.77119(22) 1.0 Uiso 0.0710(24) 4 C C21 0.3807(4) -0.2609(7) 0.72619(31) 1.0 Uiso 0.0799(33) 4 H H21A 0.31708 -0.24214 0.68554 1.0 Uiso 0.104(4) 4 H H21B 0.36855 -0.38763 0.75331 1.0 Uiso 0.104(4) 4 H H21C 0.45558 -0.2687 0.70399 1.0 Uiso 0.104(4) 4 C C8 0.95591(29) 0.2416(9) 0.47810(21) 1.0 Uiso 0.0227(28) 4 H H8 0.99239 0.2381 0.52984 1.0 Uiso 0.029(4) 4 C C9 0.84333(27) 0.1994(11) 0.47514(19) 1.0 Uiso 0.0436(33) 4 C C10 0.78882(30) 0.1978(10) 0.53224(16) 1.0 Uiso 0.0336(28) 4 H H10 0.82754 0.23231 0.58136 1.0 Uiso 0.043(4) 4 C C11 0.67811(26) 0.1589(12) 0.52649(18) 1.0 Uiso 0.0599(33) 4 C C12 0.6179(4) 0.1511(10) 0.58103(22) 1.0 Uiso 0.0337(28) 4 H H12 0.54202 0.07771 0.57263 1.0 Uiso 0.044(4) 4 O O2 0.80183(29) 0.1533(7) 0.41608(19) 1.0 Uiso 0.0456(22) 4 O O3 0.63190(24) 0.1199(6) 0.46804(18) 1.0 Uiso 0.0499(20) 4 H H23 0.70616 0.13816 0.42697 1.0 Uiso 0.0649(27) 4 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "C21 H20 O6" _chemical_formula_weight 368.38 _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 O5 C23 1.425(4) . 1_555 N O5 H23A 2.0603(33) . 1_555 N O5 H23B 2.0584(27) . 1_555 N O5 H23C 2.0424(35) . 1_555 N O5 C1 1.3761(22) . 1_555 N C23 O5 1.425(4) . 1_555 N C23 H23A 1.092(6) . 1_555 N C23 H23B 1.089(4) . 1_555 N C23 H23C 1.083(6) . 1_555 N H23A O5 2.0603(33) . 1_555 N H23A C23 1.092(6) . 1_555 N H23A H23B 1.790960(10) . 1_555 N H23A H23C 1.774440(10) . 1_555 N H23B O5 2.0584(27) . 1_555 N H23B C23 1.089(4) . 1_555 N H23B H23A 1.790960(10) . 1_555 N H23B H23C 1.781410(10) . 1_555 N H23C O5 2.0424(35) . 1_555 N H23C C23 1.083(6) . 1_555 N H23C H23A 1.774440(10) . 1_555 N H23C H23B 1.781410(10) . 1_555 N C7 H7 1.086(4) . 1_555 N C7 C5 1.4753(34) . 1_555 N C7 C8 1.339(4) . 1_555 N H7 C7 1.086(4) . 1_555 N H7 C8 1.968(4) . 1_555 N C5 C7 1.4753(34) . 1_555 N C5 C6 1.387390(10) . 1_555 N C5 C4 1.390190(10) . 1_555 N C6 C5 1.387390(10) . 1_555 N C6 C1 1.376860(10) . 1_555 N C6 H6 1.089030(10) . 1_555 N C1 O5 1.3761(22) . 1_555 N C1 C6 1.376860(10) . 1_555 N C1 C2 1.394940(10) . 1_555 N C2 C1 1.394940(10) . 1_555 N C2 C3 1.365820(10) . 1_555 N C2 O1 1.3581(26) . 1_555 N C2 H1O 1.9547(11) . 1_555 N C3 C2 1.365820(10) . 1_555 N C3 C4 1.385560(10) . 1_555 N C3 H3 1.088930(10) . 1_555 N C4 C5 1.390190(10) . 1_555 N C4 C3 1.385560(10) . 1_555 N C4 H4 1.089070(10) . 1_555 N H3 C3 1.088930(10) . 1_555 N H4 C4 1.089070(10) . 1_555 N H6 C6 1.089030(10) . 1_555 N O1 C2 1.3581(26) . 1_555 N O1 H1O 0.9953(34) . 1_555 N H1O C2 1.9547(11) . 1_555 N H1O O1 0.9953(34) . 1_555 N C13 H13 1.088(4) . 1_555 N C13 C14 1.401(4) . 1_555 N C13 C12 1.390(4) . 1_555 N C13 H12 2.095(4) . 1_555 N H13 C13 1.088(4) . 1_555 N H13 C14 2.0460(12) . 1_555 N C14 C13 1.401(4) . 1_555 N C14 H13 2.0460(12) . 1_555 N C14 C15 1.37511(16) . 1_555 N C14 C19 1.39815(6) . 1_555 N C15 C14 1.37511(16) . 1_555 N C15 C16 1.38097(14) . 1_555 N C15 H15 1.08902(17) . 1_555 N C16 C15 1.38097(14) . 1_555 N C16 C17 1.362300(30) . 1_555 N C16 H16 1.08898 . 1_555 N C17 C16 1.362300(30) . 1_555 N C17 C18 1.389020(20) . 1_555 N C17 O4 1.3701(27) . 1_555 N C17 H4O 1.9990(11) . 1_555 N C18 C17 1.389020(20) . 1_555 N C18 C19 1.37584(9) . 1_555 N C18 O6 1.3626(22) . 1_555 N C19 C14 1.39815(6) . 1_555 N C19 C18 1.37584(9) . 1_555 N C19 H19 1.088960(10) . 1_555 N H15 C15 1.08902(17) . 1_555 N H16 C16 1.08898 . 1_555 N H19 C19 1.088960(10) . 1_555 N H19 H21C 1.853(4) . 1_555 N O4 C17 1.3701(27) . 1_555 N O4 H4O 0.996(4) . 1_555 N H4O C17 1.9990(11) . 1_555 N H4O O4 0.996(4) . 1_555 N H4O O2 1.903(4) . -2_455 N O6 C18 1.3626(22) . 1_555 N O6 C21 1.433(4) . 1_555 N O6 H21B 2.0670(30) . 1_555 N O6 H21C 2.061(4) . 1_555 N C21 O6 1.433(4) . 1_555 N C21 H21A 1.100(6) . 1_555 N C21 H21B 1.079(5) . 1_555 N C21 H21C 1.086(5) . 1_555 N H21A C21 1.100(6) . 1_555 N H21A H21B 1.787370(10) . 1_555 N H21A H21C 1.774510(10) . 1_555 N H21B O6 2.0670(30) . 1_555 N H21B C21 1.079(5) . 1_555 N H21B H21A 1.787370(10) . 1_555 N H21B H21C 1.765380(10) . 1_555 N H21C H19 1.853(4) . 1_555 N H21C O6 2.061(4) . 1_555 N H21C C21 1.086(5) . 1_555 N H21C H21A 1.774510(10) . 1_555 N H21C H21B 1.765380(10) . 1_555 N C8 C7 1.339(4) . 1_555 N C8 H7 1.968(4) . 1_555 N C8 H8 1.094(4) . 1_555 N C8 C9 1.4573(14) . 1_555 N H8 C8 1.094(4) . 1_555 N C9 C8 1.4573(14) . 1_555 N C9 C10 1.3849(19) . 1_555 N C9 O2 1.2907(10) . 1_555 N C9 H23 1.9628(35) . 1_555 N C10 C9 1.3849(19) . 1_555 N C10 H10 1.0854(31) . 1_555 N C10 C11 1.4277(30) . 1_555 N H10 C10 1.0854(31) . 1_555 N C11 C10 1.4277(30) . 1_555 N C11 C12 1.3855(31) . 1_555 N C11 O3 1.2888(9) . 1_555 N C11 H23 2.0539(31) . 1_555 N C12 C13 1.390(4) . 1_555 N C12 C11 1.3855(31) . 1_555 N C12 H12 1.099(4) . 1_555 N H12 C13 2.095(4) . 1_555 N H12 C12 1.099(4) . 1_555 N O2 H4O 1.903(4) . -2_554 N O2 C9 1.2907(10) . 1_555 N O2 H23 1.258(4) . 1_555 N O3 C11 1.2888(9) . 1_555 N O3 H23 1.3099(33) . 1_555 N H23 C9 1.9628(35) . 1_555 N H23 C11 2.0539(31) . 1_555 N H23 O2 1.258(4) . 1_555 N H23 O3 1.3099(33) . 1_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 C23 O5 C1 118.00(20) 1_555 . 1_555 N O5 C23 H23A 109.2(5) 1_555 . 1_555 N O5 C23 H23B 109.2(4) 1_555 . 1_555 N O5 C23 H23C 108.3(5) 1_555 . 1_555 N H23A C23 H23B 110.4(5) 1_555 . 1_555 N H23A C23 H23C 109.4(4) 1_555 . 1_555 N H23B C23 H23C 110.2(5) 1_555 . 1_555 N H7 C7 C5 118.94(34) 1_555 . 1_555 N H7 C7 C8 108.0(4) 1_555 . 1_555 N C5 C7 C8 128.73(26) 1_555 . 1_555 N C7 C5 C6 123.17(20) 1_555 . 1_555 N C7 C5 C4 118.10(20) 1_555 . 1_555 N C6 C5 C4 118.5781(5) 1_555 . 1_555 N C5 C6 C1 120.3880(5) 1_555 . 1_555 N C5 C6 H6 119.8240(5) 1_555 . 1_555 N C1 C6 H6 119.7880(5) 1_555 . 1_555 N O5 C1 C6 124.96(14) 1_555 . 1_555 N O5 C1 C2 114.82(14) 1_555 . 1_555 N C6 C1 C2 120.2144(5) 1_555 . 1_555 N C1 C2 C3 119.9957(5) 1_555 . 1_555 N C1 C2 O1 120.69(18) 1_555 . 1_555 N C3 C2 O1 119.29(18) 1_555 . 1_555 N C2 C3 C4 119.6697(5) 1_555 . 1_555 N C2 C3 H3 120.1756(5) 1_555 . 1_555 N C4 C3 H3 120.1547(5) 1_555 . 1_555 N C5 C4 C3 121.1470(5) 1_555 . 1_555 N C5 C4 H4 119.4423(5) 1_555 . 1_555 N C3 C4 H4 119.4108(5) 1_555 . 1_555 N C2 O1 H1O 111.39(28) 1_555 . 1_555 N H13 C13 C14 109.92(35) 1_555 . 1_555 N H13 C13 C12 117.9(5) 1_555 . 1_555 N C14 C13 C12 126.44(25) 1_555 . 1_555 N C13 C14 C15 120.45(26) 1_555 . 1_555 N C13 C14 C19 120.59(26) 1_555 . 1_555 N C15 C14 C19 118.792(8) 1_555 . 1_555 N C14 C15 C16 120.5395 1_555 . 1_555 N C14 C15 H15 119.7805(33) 1_555 . 1_555 N C16 C15 H15 119.680(11) 1_555 . 1_555 N C15 C16 C17 121.0153(21) 1_555 . 1_555 N C15 C16 H16 119.5188 1_555 . 1_555 N C17 C16 H16 119.466(5) 1_555 . 1_555 N C16 C17 C18 119.024(9) 1_555 . 1_555 N C16 C17 O4 120.16(20) 1_555 . 1_555 N C18 C17 O4 120.79(20) 1_555 . 1_555 N C17 C18 C19 120.608(10) 1_555 . 1_555 N C17 C18 O6 113.94(14) 1_555 . 1_555 N C19 C18 O6 125.16(13) 1_555 . 1_555 N C14 C19 C18 119.978(8) 1_555 . 1_555 N C14 C19 H19 120.008(7) 1_555 . 1_555 N C18 C19 H19 120.0142(32) 1_555 . 1_555 N C17 O4 H4O 114.41(28) 1_555 . 1_555 N C18 O6 C21 117.45(19) 1_555 . 1_555 N O6 C21 H21A 109.8(5) 1_555 . 1_555 N O6 C21 H21B 110.0(4) 1_555 . 1_555 N O6 C21 H21C 109.0(4) 1_555 . 1_555 N H21A C21 H21B 110.2(4) 1_555 . 1_555 N H21A C21 H21C 108.5(5) 1_555 . 1_555 N H21B C21 H21C 109.3(5) 1_555 . 1_555 N C7 C8 H8 122.0(4) 1_555 . 1_555 N C7 C8 C9 123.60(18) 1_555 . 1_555 N H8 C8 C9 111.38(34) 1_555 . 1_555 N C8 C9 C10 121.94(26) 1_555 . 1_555 N C8 C9 O2 114.17(24) 1_555 . 1_555 N C10 C9 O2 123.76(27) 1_555 . 1_555 N C9 C10 H10 121.44(30) 1_555 . 1_555 N C9 C10 C11 119.76(16) 1_555 . 1_555 N H10 C10 C11 118.73(28) 1_555 . 1_555 N C10 C11 C12 123.56(22) 1_555 . 1_555 N C10 C11 O3 118.74(17) 1_555 . 1_555 N C12 C11 O3 117.62(20) 1_555 . 1_555 N C13 C12 C11 129.60(30) 1_555 . 1_555 N C13 C12 H12 114.17(30) 1_555 . 1_555 N C11 C12 H12 115.9(4) 1_555 . 1_555 N C9 O2 H23 100.74(29) 1_555 . 1_555 N C11 O3 H23 104.44(21) 1_555 . 1_555 N O2 H23 O3 151.29(22) 1_555 . 1_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 295 _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 O 24.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C C 84.0 0.000 0.000 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C H 80.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio ? _diffrn_radiation_wavelength 0.6888 _diffrn_radiation_type ? _pd_proc_ls_prof_R_factor 0.0322 _pd_proc_ls_prof_wR_factor 0.0428 _pd_proc_ls_prof_wR_expected 0.0373 _refine_ls_R_Fsqd_factor 0.05059 _pd_proc_ls_background_function ; GSAS Background function number 1 with 3 terms. Shifted Chebyshev function of 1st kind 1: 264.328 2: 31.0770 3: -55.2001 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 # 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 21 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) = 21.618 #2(GV) = -3.140 #3(GW) = 2.043 #4(GP) = 0.000 #5(LX) = 1.343 #6(ptec) = -0.09 #7(trns) = 0.00 #8(shft) = 0.0000 #9(sfec) = 0.00 #10(S/L) = 0.0028 #11(H/L) = 0.0005 #12(eta) = 0.0559 #13(S400 ) = 3.7E-04 #14(S040 ) = 2.0E-02 #15(S004 ) = 6.6E-04 #16(S220 ) = 1.1E-02 #17(S202 ) = 1.2E-03 #18(S022 ) = 2.9E-03 #19(S301 ) = 9.7E-04 #20(S103 ) = 1.3E-03 #21(S121 ) = -5.9E-04 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 1.0 0.0 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_info_datetime 2014-06-11T13:56:58 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 2.0 _pd_meas_2theta_range_max 29.99 _pd_meas_2theta_range_inc 0.005 _pd_proc_2theta_range_min 2.0 _pd_proc_2theta_range_max 29.99 _pd_proc_2theta_range_inc 0.005 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 132.0 0.0 177.95757 . 131.0 0.00763 178.05090 113.60227 130.0 0.00769 178.14421 113.78523 129.0 0.00775 178.23749 113.96682 128.0 0.00781 178.33073 114.14718 128.0 0.00781 178.42395 114.32619 123.0 0.00813 178.51714 114.50372 129.0 0.00775 178.61029 114.67987 127.0 0.00787 178.70341 114.85468 126.0 0.00794 178.79651 115.02806 125.0 0.00800 178.88957 115.20023 126.0 0.00794 178.98262 115.37093 124.0 0.00806 179.07562 115.54047 128.0 0.00781 179.16859 115.70840 124.0 0.00806 179.26154 115.87498 127.0 0.00787 179.35445 116.03998 125.0 0.00800 179.44733 116.20395 125.0 0.00800 179.54018 116.36621 120.0 0.00833 179.63300 116.52739 120.0 0.00833 179.72578 116.68706 122.0 0.00820 179.81856 116.84516 123.0 0.00813 179.91130 117.00220 118.0 0.00847 180.00400 117.15778 120.0 0.00833 180.09666 117.31171 120.0 0.00833 180.18930 117.46443 124.0 0.00806 180.28191 117.61563 128.0 0.00781 180.37450 117.76570 128.0 0.00781 180.46704 117.91431 128.0 0.00781 180.55956 118.06133 130.0 0.00769 180.65204 118.20694 126.0 0.00794 180.74451 118.35138 125.0 0.00800 180.83693 118.49419 122.0 0.00820 180.92934 118.63600 123.0 0.00813 181.02170 118.77567 123.0 0.00813 181.11404 118.91441 118.0 0.00847 181.20634 119.05156 123.0 0.00813 181.29863 119.18758 120.0 0.00833 181.39087 119.32221 121.0 0.00826 181.48308 119.45525 124.0 0.00806 181.57527 119.58708 119.0 0.00840 181.66742 119.71733 119.0 0.00840 181.75955 119.84616 114.0 0.00877 181.85164 119.97350 117.0 0.00855 181.94371 120.09974 118.0 0.00847 182.03575 120.22446 117.0 0.00855 182.12775 120.34763 119.0 0.00840 182.21973 120.46951 119.0 0.00840 182.31168 120.59010 125.0 0.00800 182.40358 120.70908 125.0 0.00800 182.49547 120.82684 120.0 0.00833 182.58731 120.94317 120.0 0.00833 182.67914 121.05797 116.0 0.00862 182.77094 121.17152 118.0 0.00847 182.86269 121.28368 119.0 0.00840 182.95442 121.39415 118.0 0.00847 183.04613 121.50360 121.0 0.00826 183.13780 121.61171 123.0 0.00813 183.22943 121.71809 122.0 0.00820 183.32104 121.82323 117.0 0.00855 183.41263 121.92709 121.0 0.00826 183.50418 122.02945 114.0 0.00877 183.59569 122.13022 120.0 0.00833 183.68718 122.23000 116.0 0.00862 183.77864 122.32804 119.0 0.00840 183.87006 122.42503 125.0 0.00800 183.96146 122.52060 121.0 0.00826 184.05283 122.61469 131.0 0.00763 184.14417 122.70742 123.0 0.00813 184.23547 122.79895 129.0 0.00775 184.32675 122.88893 127.0 0.00787 184.41800 122.97760 122.0 0.00820 184.50922 123.06482 126.0 0.00794 184.60040 123.15048 114.0 0.00877 184.69156 123.23518 125.0 0.00800 184.78268 123.31830 116.0 0.00862 184.87378 123.40019 121.0 0.00826 184.96484 123.48096 126.0 0.00794 185.05586 123.55997 121.0 0.00826 185.14688 123.63759 131.0 0.00763 185.23785 123.71417 120.0 0.00833 185.32880 123.78920 127.0 0.00787 185.41971 123.86295 127.0 0.00787 185.51059 123.93550 127.0 0.00787 185.60144 124.00681 130.0 0.00769 185.69226 124.07651 123.0 0.00813 185.78305 124.14506 126.0 0.00794 185.87381 124.21209 132.0 0.00758 185.96454 124.27786 127.0 0.00787 186.05524 124.34242 130.0 0.00769 186.14592 124.40571 133.0 0.00752 186.23656 124.46771 127.0 0.00787 186.32716 124.52826 127.0 0.00787 186.41776 124.58742 118.0 0.00847 186.50830 124.64563 130.0 0.00769 186.59882 124.70236 116.0 0.00862 186.68930 124.75776 132.0 0.00758 186.77975 124.81174 124.0 0.00806 186.87019 124.86481 132.0 0.00758 186.96059 124.91638 128.0 0.00781 187.05095 124.96686 134.0 0.00746 187.14128 125.01596 137.0 0.00730 187.23160 125.06352 130.0 0.00769 187.32188 125.11026 142.0 0.00704 187.41212 125.15549 129.0 0.00775 187.50233 125.19971 129.0 0.00775 187.59253 125.24232 130.0 0.00769 187.68268 125.28418 130.0 0.00769 187.77280 125.32452 127.0 0.00787 187.86290 125.36356 133.0 0.00752 187.95296 125.40144 126.0 0.00794 188.04298 125.43808 131.0 0.00763 188.13300 125.47365 132.0 0.00758 188.22296 125.50783 127.0 0.00787 188.31291 125.54105 128.0 0.00781 188.40282 125.57270 132.0 0.00758 188.49271 125.60349 125.0 0.00800 188.58257 125.63289 132.0 0.00758 188.67238 125.66138 131.0 0.00763 188.76218 125.68843 130.0 0.00769 188.85193 125.71443 129.0 0.00775 188.94167 125.73917 131.0 0.00763 189.03136 125.76287 127.0 0.00787 189.12103 125.78555 129.0 0.00775 189.21068 125.80666 116.0 0.00862 189.30028 125.82675 121.0 0.00826 189.38986 125.84589 119.0 0.00840 189.47942 125.86393 120.0 0.00833 189.56894 125.88075 120.0 0.00833 189.65842 125.89632 119.0 0.00840 189.74788 125.91093 114.0 0.00877 189.83731 125.92444 118.0 0.00847 189.92670 125.93663 116.0 0.00862 190.01607 125.94791 119.0 0.00840 190.10541 125.95832 115.0 0.00870 190.19470 125.96743 114.0 0.00877 190.28398 125.97540 119.0 0.00840 190.37325 125.98222 118.0 0.00847 190.46245 125.98842 116.0 0.00862 190.55164 125.99311 124.0 0.00806 190.64079 125.99697 120.0 0.00833 190.72992 125.99964 120.0 0.00833 190.81900 126.00154 122.0 0.00820 190.90807 126.00211 116.0 0.00862 190.99710 126.00172 114.0 0.00877 191.08611 126.00055 122.0 0.00820 191.17508 125.99820 118.0 0.00847 191.26402 125.99469 117.0 0.00855 191.35294 125.99038 120.0 0.00833 191.44182 125.98507 116.0 0.00862 191.53065 125.97887 120.0 0.00833 191.61949 125.97146 116.0 0.00862 191.70828 125.96323 120.0 0.00833 191.79704 125.95424 122.0 0.00820 191.88577 125.94396 120.0 0.00833 191.97447 125.93292 123.0 0.00813 192.06314 125.92091 118.0 0.00847 192.15178 125.90775 115.0 0.00870 192.24039 125.89404 116.0 0.00862 192.32896 125.87917 112.0 0.00893 192.41753 125.86349 113.0 0.00885 192.50603 125.84692 116.0 0.00862 192.59453 125.82943 118.0 0.00847 192.68298 125.81107 115.0 0.00870 192.77141 125.79187 118.0 0.00847 192.85980 125.77164 116.0 0.00862 192.94817 125.75074 116.0 0.00862 193.03651 125.72891 116.0 0.00862 193.12482 125.70632 117.0 0.00855 193.21309 125.68280 120.0 0.00833 193.30133 125.65851 121.0 0.00826 193.38954 125.63344 120.0 0.00833 193.47774 125.60748 115.0 0.00870 193.56589 125.58065 115.0 0.00870 193.65402 125.55310 113.0 0.00885 193.74211 125.52495 115.0 0.00870 193.83017 125.49584 110.0 0.00909 193.91821 125.46584 111.0 0.00901 194.00621 125.43523 111.0 0.00901 194.09418 125.40391 112.0 0.00893 194.18213 125.37172 117.0 0.00855 194.27003 125.33887 111.0 0.00901 194.35791 125.30525 117.0 0.00855 194.44577 125.27085 114.0 0.00877 194.53358 125.23589 115.0 0.00870 194.62138 125.20024 116.0 0.00862 194.70914 125.16379 116.0 0.00862 194.79688 125.12657 115.0 0.00870 194.88457 125.08881 117.0 0.00855 194.97224 125.05048 115.0 0.00870 195.05988 125.01131 113.0 0.00885 195.14749 124.97151 117.0 0.00855 195.23506 124.93107 120.0 0.00833 195.32262 124.89004 118.0 0.00847 195.41013 124.84849 122.0 0.00820 195.49762 124.80621 118.0 0.00847 195.58507 124.76318 120.0 0.00833 195.67252 124.71981 118.0 0.00847 195.75990 124.67579 119.0 0.00840 195.84727 124.63123 121.0 0.00826 195.93460 124.58581 117.0 0.00855 196.02191 124.54018 119.0 0.00840 196.10919 124.49382 117.0 0.00855 196.19643 124.44688 118.0 0.00847 196.28365 124.39959 116.0 0.00862 196.37083 124.35152 116.0 0.00862 196.45798 124.30318 119.0 0.00840 196.54510 124.25433 120.0 0.00833 196.63220 124.20482 115.0 0.00870 196.71927 124.15493 122.0 0.00820 196.80630 124.10452 117.0 0.00855 196.89331 124.05357 121.0 0.00826 196.98027 124.00246 121.0 0.00826 197.06721 123.95040 123.0 0.00813 197.15413 123.89812 125.0 0.00800 197.24101 123.84563 126.0 0.00794 197.32787 123.79250 128.0 0.00781 197.41467 123.73895 126.0 0.00794 197.50146 123.68518 125.0 0.00800 197.58823 123.63084 122.0 0.00820 197.67497 123.57608 122.0 0.00820 197.76166 123.52110 122.0 0.00820 197.84834 123.46572 123.0 0.00813 197.93497 123.40994 123.0 0.00813 198.02158 123.35372 123.0 0.00813 198.10815 123.29739 124.0 0.00806 198.19470 123.24046 124.0 0.00806 198.28122 123.18338 123.0 0.00813 198.36771 123.12607 123.0 0.00813 198.45416 123.06818 123.0 0.00813 198.54059 123.01022 120.0 0.00833 198.62700 122.95194 125.0 0.00800 198.71336 122.89342 121.0 0.00826 198.79970 122.83466 123.0 0.00813 198.88600 125.32970 122.0 0.00820 198.97227 125.33905 120.0 0.00833 199.05852 125.35059 123.0 0.00813 199.14473 125.36509 123.0 0.00813 199.23091 125.38223 124.0 0.00806 199.31708 125.40261 123.0 0.00813 199.40320 125.42625 125.0 0.00800 199.48929 125.45333 119.0 0.00840 199.57535 125.48415 125.0 0.00800 199.66139 125.51881 122.0 0.00820 199.74739 125.55772 122.0 0.00820 199.83336 125.60136 125.0 0.00800 199.91931 125.64940 125.0 0.00800 200.00522 125.70280 129.0 0.00775 200.09109 125.76168 124.0 0.00806 200.17694 125.82610 125.0 0.00800 200.26277 125.89706 124.0 0.00806 200.34856 125.97462 124.0 0.00806 200.43431 126.05933 124.0 0.00806 200.52005 126.15172 121.0 0.00826 200.60576 126.25238 128.0 0.00781 200.69142 126.36184 122.0 0.00820 200.77705 126.48083 130.0 0.00769 200.86267 126.61009 127.0 0.00787 200.94824 126.75031 129.0 0.00775 201.03378 126.90271 128.0 0.00781 201.11931 127.06773 128.0 0.00781 201.20479 127.24690 129.0 0.00775 201.29025 127.44118 133.0 0.00752 201.37567 127.65185 130.0 0.00769 201.46107 127.88029 133.0 0.00752 201.54643 128.12825 132.0 0.00758 201.63177 128.39758 131.0 0.00763 201.71707 128.69003 128.0 0.00781 201.80235 129.00792 132.0 0.00758 201.88760 129.35362 131.0 0.00763 201.97281 129.73016 130.0 0.00769 202.05800 130.14035 130.0 0.00769 202.14316 130.58812 129.0 0.00775 202.22827 131.07704 133.0 0.00752 202.31337 131.61195 133.0 0.00752 202.39842 132.19807 135.0 0.00741 202.48346 132.84148 135.0 0.00741 202.56847 133.54860 137.0 0.00730 202.65344 134.32782 141.0 0.00709 202.73839 135.18814 138.0 0.00725 202.82329 136.14017 143.0 0.00699 202.90817 137.19649 143.0 0.00699 202.99303 138.37181 140.0 0.00714 203.07785 139.68338 147.0 0.00680 203.16263 141.15178 144.0 0.00694 203.24739 142.80151 147.0 0.00680 203.33212 144.66212 150.0 0.00667 203.41682 146.76953 152.0 0.00658 203.50150 149.16704 151.0 0.00662 203.58614 151.90802 158.0 0.00633 203.67073 155.05875 163.0 0.00613 203.75533 158.70215 164.0 0.00610 203.83986 162.94333 173.0 0.00578 203.92438 167.91977 176.0 0.00568 204.00887 173.84294 187.0 0.00535 204.09332 180.95204 197.0 0.00508 204.17775 189.74777 205.0 0.00488 204.26215 201.12677 222.0 0.00450 204.34651 216.86047 246.0 0.00407 204.43085 240.40727 274.0 0.00365 204.51515 278.12405 329.0 0.003040 204.59943 340.63452 428.0 0.002336 204.68367 443.60226 585.0 0.001709 204.76788 606.62952 822.0 0.001217 204.85208 848.96509 1134.0 0.000882 204.93622 1181.68481 1571.0 0.000637 205.02034 1597.86316 2049.0 0.000488 205.10445 2063.55493 2503.0 0.000400 205.18851 2511.82080 2912.0 0.0003434 205.27254 2844.08960 3000.0 0.0003333 205.35654 2957.28247 2945.0 0.0003396 205.44051 2808.69580 2508.0 0.000399 205.52446 2453.48633 1980.0 0.000505 205.60835 1997.38440 1518.0 0.000659 205.69225 1535.27844 1048.0 0.000954 205.77609 1129.31299 753.0 0.001328 205.85991 809.21570 535.0 0.001869 205.94370 578.80847 388.0 0.002577 206.02747 425.30219 319.0 0.003135 206.11119 340.93942 270.0 0.00370 206.19489 282.93875 244.0 0.00410 206.27855 247.96339 229.0 0.00437 206.36220 226.05780 213.0 0.00469 206.44580 211.35443 203.0 0.00493 206.52937 200.69562 192.0 0.00521 206.61292 192.47267 194.0 0.00515 206.69644 185.86850 181.0 0.00552 206.77994 180.44270 178.0 0.00562 206.86339 175.93013 175.0 0.00571 206.94682 172.15192 169.0 0.00592 207.03021 168.97734 166.0 0.00602 207.11357 166.30609 161.0 0.00621 207.19691 164.05939 161.0 0.00621 207.28021 162.17479 161.0 0.00621 207.36348 160.60210 158.0 0.00633 207.44673 159.30083 161.0 0.00621 207.52994 158.23834 157.0 0.00637 207.61314 157.38818 157.0 0.00637 207.69629 156.72876 153.0 0.00654 207.77942 156.24265 152.0 0.00658 207.86250 155.91574 153.0 0.00654 207.94556 155.73709 153.0 0.00654 208.02859 155.69783 153.0 0.00654 208.11160 155.79132 151.0 0.00662 208.19456 156.01283 150.0 0.00667 208.27751 156.35921 153.0 0.00654 208.36041 156.82886 149.0 0.00671 208.44330 157.42160 153.0 0.00654 208.52615 158.13861 155.0 0.00645 208.60898 158.98250 158.0 0.00633 208.69176 159.95724 155.0 0.00645 208.77452 161.06816 161.0 0.00621 208.85725 162.32211 158.0 0.00633 208.93994 163.72781 162.0 0.00617 209.02261 165.29582 161.0 0.00621 209.10526 167.03944 165.0 0.00606 209.18787 168.97571 167.0 0.00599 209.27043 171.12808 171.0 0.00585 209.35300 173.53085 176.0 0.00568 209.43550 176.23647 174.0 0.00575 209.51799 179.32637 182.0 0.00549 209.60045 182.92102 188.0 0.00532 209.68288 187.18402 193.0 0.00518 209.76527 192.30965 204.0 0.00490 209.84764 198.48509 212.0 0.00472 209.92996 205.82770 220.0 0.00455 210.01227 214.31061 232.0 0.00431 210.09454 223.69896 242.0 0.00413 210.17679 233.51122 253.0 0.00395 210.25900 243.04349 265.0 0.00377 210.34119 251.60181 274.0 0.00365 210.42334 259.00916 275.0 0.00364 210.50546 265.87515 279.0 0.00358 210.58755 273.23312 281.0 0.00356 210.66962 282.08066 290.0 0.003448 210.75165 293.22086 297.0 0.003367 210.83365 307.27777 319.0 0.003135 210.91562 324.76999 331.0 0.003021 210.99756 346.22589 357.0 0.002801 211.07947 372.35223 390.0 0.002564 211.16135 404.30377 427.0 0.002342 211.24319 444.19388 479.0 0.002088 211.32503 496.14081 540.0 0.001852 211.40681 568.30255 649.0 0.001541 211.48857 676.38928 800.0 0.001250 211.57030 848.73010 1043.0 0.000959 211.65199 1129.23987 1475.0 0.000678 211.73367 1590.49902 2136.0 0.000468 211.81531 2313.35864 3236.0 0.0003090 211.89691 3379.54785 4662.0 0.0002145 211.97849 4837.24365 6474.0 0.0001545 212.06003 6661.16943 8628.0 0.0001159 212.14156 8715.73535 10531.0 0.0000950 212.22304 10730.16602 12534.0 0.0000798 212.30449 12299.63086 13186.0 0.0000758 212.38593 12976.92285 13057.0 0.0000766 212.46732 12521.90820 11721.0 0.0000853 212.54868 11099.42969 9357.0 0.0001069 212.63002 9138.83398 7312.0 0.0001368 212.71132 7065.88428 5219.0 0.0001916 212.79259 5180.10986 3712.0 0.0002694 212.87384 3643.00073 2496.0 0.000401 212.95505 2499.51904 1754.0 0.000570 213.03624 1713.08337 1238.0 0.000808 213.11739 1205.79724 928.0 0.001078 213.19850 892.63171 737.0 0.001357 213.27960 702.15265 606.0 0.001650 213.36067 583.70251 522.0 0.001916 213.44170 505.68079 455.0 0.002198 213.52271 450.24359 405.0 0.002469 213.60367 407.99191 367.0 0.002725 213.68462 374.11530 336.0 0.002976 213.76552 346.08438 311.0 0.003215 213.84639 322.45123 288.0 0.003472 213.92725 302.28696 273.0 0.00366 214.00807 284.93326 255.0 0.00392 214.08885 269.89261 240.0 0.00417 214.16962 256.77600 231.0 0.00433 214.25035 245.27290 222.0 0.00450 214.33104 235.13266 215.0 0.00465 214.41170 226.15112 204.0 0.00490 214.49236 218.16078 200.0 0.00500 214.57295 211.02301 193.0 0.00518 214.65353 204.62245 186.0 0.00538 214.73407 198.86263 185.0 0.00541 214.81459 193.66216 177.0 0.00565 214.89508 188.95213 179.0 0.00559 214.97554 184.67393 175.0 0.00571 215.05597 180.77739 170.0 0.00588 215.13635 177.21945 171.0 0.00585 215.21672 173.96291 167.0 0.00599 215.29706 170.97551 165.0 0.00606 215.37737 168.22928 165.0 0.00606 215.45763 165.69965 164.0 0.00610 215.53787 163.36526 165.0 0.00606 215.61809 161.20728 166.0 0.00602 215.69827 159.20898 166.0 0.00602 215.77843 157.35576 166.0 0.00602 215.85855 155.63452 165.0 0.00606 215.93864 154.03369 162.0 0.00617 216.01871 152.54292 164.0 0.00610 216.09872 151.15295 158.0 0.00633 216.17874 149.85548 158.0 0.00633 216.25871 148.64310 157.0 0.00637 216.33865 147.50908 154.0 0.00649 216.41855 146.44733 155.0 0.00645 216.49843 145.43019 154.0 0.00649 216.57828 144.49779 154.0 0.00649 216.65810 143.62270 157.0 0.00637 216.73788 142.80092 151.0 0.00662 216.81764 142.02875 150.0 0.00667 216.89737 141.30269 151.0 0.00662 216.97708 140.61974 150.0 0.00667 217.05675 139.97697 152.0 0.00658 217.13638 139.37181 151.0 0.00662 217.21599 138.80191 148.0 0.00676 217.29556 138.26503 151.0 0.00662 217.37511 137.75914 148.0 0.00676 217.45462 137.28241 153.0 0.00654 217.53412 136.83307 153.0 0.00654 217.61357 136.40959 148.0 0.00676 217.69299 136.01045 149.0 0.00671 217.77238 135.63428 148.0 0.00676 217.85175 135.27983 148.0 0.00676 217.93109 134.94600 147.0 0.00680 218.01039 134.63153 146.0 0.00685 218.08966 134.33557 142.0 0.00704 218.16891 134.05705 146.0 0.00685 218.24812 133.79520 142.0 0.00704 218.32730 133.54912 150.0 0.00667 218.40645 133.31805 140.0 0.00714 218.48558 121.10069 150.0 0.00667 218.56467 121.20676 143.0 0.00699 218.64372 121.31400 142.0 0.00704 218.72276 121.42245 146.0 0.00685 218.80176 121.53210 139.0 0.00719 218.88074 121.64296 142.0 0.00704 218.95967 121.75505 142.0 0.00704 219.03859 121.86832 141.0 0.00709 219.11746 121.98284 145.0 0.00690 219.19630 122.09853 143.0 0.00699 219.27513 122.21542 144.0 0.00694 219.35391 122.33352 141.0 0.00709 219.43268 122.45276 141.0 0.00709 219.51140 122.57328 139.0 0.00719 219.59010 122.69494 142.0 0.00704 219.66878 122.81786 137.0 0.00730 219.74741 122.94195 139.0 0.00719 219.82600 123.06721 139.0 0.00719 219.90459 123.19368 137.0 0.00730 219.98314 123.32133 140.0 0.00714 220.06165 123.45016 136.0 0.00735 220.14014 123.58021 138.0 0.00725 220.21860 123.71143 135.0 0.00741 220.29701 123.84381 139.0 0.00719 220.37541 123.97736 138.0 0.00725 220.45377 124.11217 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134.03745 142.0 0.00704 225.10016 134.23666 146.0 0.00685 225.17668 134.43689 143.0 0.00699 225.25316 134.63791 146.0 0.00685 225.32962 134.83995 148.0 0.00676 225.40604 135.04288 145.0 0.00690 225.48244 135.24677 144.0 0.00694 225.55879 135.45145 143.0 0.00699 225.63513 135.65710 145.0 0.00690 225.71144 135.86365 142.0 0.00704 225.78770 136.07104 143.0 0.00699 225.86395 136.27933 140.0 0.00714 225.94016 136.48853 144.0 0.00694 226.01634 136.69858 142.0 0.00704 226.09250 136.90952 143.0 0.00699 226.16861 137.12122 145.0 0.00690 226.24471 137.33388 144.0 0.00694 226.32077 137.54727 143.0 0.00699 226.39680 137.76160 146.0 0.00685 226.47279 137.97662 140.0 0.00714 226.54877 138.19260 146.0 0.00685 226.62471 138.40929 143.0 0.00699 226.70062 138.62686 144.0 0.00694 226.77650 138.84521 148.0 0.00676 226.85234 139.06436 147.0 0.00680 226.92816 139.28424 147.0 0.00680 227.00395 139.50504 145.0 0.00690 227.07971 139.72656 144.0 0.00694 227.15544 139.94875 148.0 0.00676 227.23112 140.17175 146.0 0.00685 227.30679 140.39554 147.0 0.00680 227.38243 140.62007 145.0 0.00690 227.45804 140.84532 146.0 0.00685 227.53362 141.07129 147.0 0.00680 227.60916 141.29800 149.0 0.00671 227.68468 141.52545 146.0 0.00685 227.76016 141.75354 146.0 0.00685 227.83562 141.98239 150.0 0.00667 227.91104 142.21188 145.0 0.00690 227.98643 142.44220 146.0 0.00685 228.06178 142.67303 149.0 0.00671 228.13713 142.90457 145.0 0.00690 228.21243 143.13684 149.0 0.00671 228.28770 143.36978 144.0 0.00694 228.36295 143.60327 150.0 0.00667 228.43816 143.83746 144.0 0.00694 228.51334 144.07228 137.0 0.00730 228.58849 144.30774 145.0 0.00690 228.66362 144.54382 136.0 0.00735 228.73869 144.78043 146.0 0.00685 228.81377 145.01776 144.0 0.00694 228.88879 145.25562 151.0 0.00662 228.96379 145.49414 147.0 0.00680 229.03876 145.73315 151.0 0.00662 229.11371 145.97281 148.0 0.00676 229.18861 146.21294 149.0 0.00671 229.26349 146.45370 154.0 0.00649 229.33833 146.69502 148.0 0.00676 229.41315 146.93686 149.0 0.00671 229.48795 147.17918 146.0 0.00685 229.56270 147.42209 147.0 0.00680 229.63742 147.66550 146.0 0.00685 229.71213 147.90942 147.0 0.00680 229.78679 148.15384 151.0 0.00662 229.86143 148.39871 147.0 0.00680 229.93604 148.64407 152.0 0.00658 230.01060 148.88989 151.0 0.00662 230.08516 154.58250 151.0 0.00662 230.15967 154.97571 152.0 0.00658 230.23415 155.37541 156.0 0.00641 230.30861 155.78192 153.0 0.00654 230.38303 156.19556 154.0 0.00649 230.45743 156.61661 159.0 0.00629 230.53178 157.04558 156.0 0.00641 230.60611 157.48267 161.0 0.00621 230.68042 157.92876 161.0 0.00621 230.75470 158.38394 160.0 0.00625 230.82893 158.84892 163.0 0.00613 230.90315 159.32431 157.0 0.00637 230.97733 159.81068 162.0 0.00617 231.05148 160.30855 157.0 0.00637 231.12560 160.81894 159.0 0.00629 231.19969 161.34244 161.0 0.00621 231.27374 161.87990 155.0 0.00645 231.34778 162.43236 163.0 0.00613 231.42178 163.00073 154.0 0.00649 231.49574 163.58606 157.0 0.00637 231.56969 164.18968 160.0 0.00625 231.64360 164.81291 158.0 0.00633 231.71748 165.45700 159.0 0.00629 231.79132 166.12358 162.0 0.00617 231.86514 166.81439 162.0 0.00617 231.93893 167.53140 163.0 0.00613 232.01268 168.27650 162.0 0.00617 232.08641 169.05206 170.0 0.00588 232.16011 169.86069 163.0 0.00613 232.23378 170.70515 166.0 0.00602 232.30742 171.58838 161.0 0.00621 232.38103 172.51408 168.0 0.00595 232.45459 173.48584 165.0 0.00606 232.52814 174.50826 167.0 0.00599 232.60165 175.58588 169.0 0.00592 232.67514 176.72418 169.0 0.00592 232.74858 177.92917 171.0 0.00585 232.82201 179.20784 170.0 0.00588 232.89540 180.56795 174.0 0.00575 232.96878 182.01816 177.0 0.00565 233.04210 183.56854 176.0 0.00568 233.11540 185.23055 179.0 0.00559 233.18867 187.01729 177.0 0.00565 233.26192 188.94412 181.0 0.00552 233.33513 191.02818 179.0 0.00559 233.40831 193.28995 182.0 0.00549 233.48146 195.75291 180.0 0.00556 233.55458 198.44492 186.0 0.00538 233.62767 201.39832 187.0 0.00535 233.70073 204.65176 187.0 0.00535 233.77376 208.25117 195.0 0.00513 233.84677 212.25114 195.0 0.00513 233.91972 216.71768 199.0 0.00503 233.99266 221.73099 203.0 0.00493 234.06558 227.38861 214.0 0.00467 234.13846 233.81090 214.0 0.00467 234.21130 241.14711 222.0 0.00450 234.28412 249.58521 229.0 0.00437 234.35690 259.36618 241.0 0.00415 234.42966 270.81070 258.0 0.00388 234.50240 284.37610 269.0 0.00372 234.57509 300.78699 294.0 0.003401 234.64775 321.33966 317.0 0.003155 234.72040 348.55899 351.0 0.002849 234.79300 387.47473 407.0 0.002457 234.86555 447.75830 487.0 0.002053 234.93811 546.63629 658.0 0.001520 235.01064 711.67981 912.0 0.001096 235.08311 981.35150 1378.0 0.000726 235.15556 1400.27893 2014.0 0.000497 235.22798 2006.87402 2910.0 0.0003436 235.30038 2813.77734 4051.0 0.0002469 235.37274 3786.38550 5167.0 0.0001935 235.44507 4825.54297 6264.0 0.0001596 235.51738 5759.75928 6981.0 0.0001432 235.58965 6361.94629 6915.0 0.0001446 235.66190 6435.12256 6332.0 0.0001579 235.73410 5952.08545 5357.0 0.0001867 235.80629 5079.32520 3995.0 0.0002503 235.87843 4048.10010 2966.0 0.0003372 235.95056 3047.19312 2000.0 0.000500 236.02264 2193.67798 1343.0 0.000745 236.09470 1537.04895 907.0 0.001103 236.16673 1074.52417 636.0 0.001572 236.23872 772.13867 487.0 0.002053 236.31070 585.34521 402.0 0.002488 236.38263 473.41544 347.0 0.002882 236.45454 405.94473 316.0 0.003165 236.52643 363.33124 286.0 0.003497 236.59828 334.30075 272.0 0.00368 236.67009 312.89545 254.0 0.00394 236.74188 296.11292 246.0 0.00407 236.81363 282.42935 237.0 0.00422 236.88536 271.01535 231.0 0.00433 236.95705 261.36322 227.0 0.00441 237.02872 253.12518 222.0 0.00450 237.10036 246.04373 215.0 0.00465 237.17197 239.91907 210.0 0.00476 237.24353 234.59305 209.0 0.00478 237.31508 229.93922 205.0 0.00488 237.38660 225.85451 204.0 0.00490 237.45808 222.25482 201.0 0.00498 237.52953 219.07098 197.0 0.00508 237.60095 216.24557 197.0 0.00508 237.67235 213.73071 192.0 0.00521 237.74371 211.48627 193.0 0.00518 237.81505 209.47824 189.0 0.00529 237.88634 207.67783 189.0 0.00529 237.95761 206.06053 187.0 0.00535 238.02885 204.60529 184.0 0.00543 238.10007 203.29399 188.0 0.00532 238.17125 202.11102 185.0 0.00541 238.24240 201.04291 186.0 0.00538 238.31352 200.07765 183.0 0.00546 238.38461 199.20514 187.0 0.00535 238.45567 198.41628 185.0 0.00541 238.52670 197.70320 186.0 0.00538 238.59769 197.05898 188.0 0.00532 238.66866 196.47740 184.0 0.00543 238.73959 195.95322 188.0 0.00532 238.81050 195.48161 184.0 0.00543 238.88138 195.05840 185.0 0.00541 238.95224 194.68005 181.0 0.00552 239.02304 194.34334 185.0 0.00541 239.09384 194.04546 181.0 0.00552 239.16460 193.78421 182.0 0.00549 239.23532 193.55788 186.0 0.00538 239.30602 193.36459 181.0 0.00552 239.37668 193.20395 181.0 0.00552 239.44731 193.07523 185.0 0.00541 239.51791 192.97948 179.0 0.00559 239.58850 192.91856 184.0 0.00543 239.65904 192.89854 179.0 0.00559 239.72955 192.93211 181.0 0.00552 239.80003 193.04619 183.0 0.00546 239.87050 193.29218 180.0 0.00556 239.94092 193.76021 185.0 0.00541 240.01131 194.59010 186.0 0.00538 240.08167 195.96902 186.0 0.00538 240.15199 198.10229 189.0 0.00529 240.22231 201.14777 189.0 0.00529 240.29257 205.12219 193.0 0.00518 240.36281 209.80498 196.0 0.00510 240.43303 214.66725 204.0 0.00490 240.50320 218.85005 201.0 0.00498 240.57335 221.28572 203.0 0.00493 240.64348 221.16591 197.0 0.00508 240.71356 218.54927 189.0 0.00529 240.78362 214.30951 199.0 0.00503 240.85365 209.50523 190.0 0.00526 240.92365 204.95728 196.0 0.00510 240.99362 201.15462 190.0 0.00526 241.06355 193.41350 189.0 0.00529 241.13345 191.58537 186.0 0.00538 241.20334 190.47627 186.0 0.00538 241.27318 189.87947 185.0 0.00541 241.34300 189.61174 185.0 0.00541 241.41278 189.53857 185.0 0.00541 241.48254 189.57391 185.0 0.00541 241.55228 189.66879 186.0 0.00538 241.62196 189.79744 184.0 0.00543 241.69164 189.94679 183.0 0.00546 241.76126 190.11002 187.0 0.00535 241.83087 190.28366 186.0 0.00538 241.90045 190.46547 187.0 0.00535 241.96999 190.76466 186.0 0.00538 242.03951 190.96153 187.0 0.00535 242.10898 191.16313 187.0 0.00535 242.17844 191.36891 189.0 0.00529 242.24786 191.57822 190.0 0.00526 242.31726 191.79071 186.0 0.00538 242.38661 192.00626 190.0 0.00526 242.45595 192.22450 186.0 0.00538 242.52525 192.44533 191.0 0.00524 242.59451 192.66862 186.0 0.00538 242.66376 192.89445 191.0 0.00524 242.73297 193.12253 192.0 0.00521 242.80215 193.35316 195.0 0.00513 242.87129 193.58644 195.0 0.00513 242.94041 193.82233 195.0 0.00513 243.00952 194.06091 194.0 0.00515 243.07857 194.30261 194.0 0.00515 243.14760 194.54736 196.0 0.00510 243.21660 194.79564 195.0 0.00513 243.28557 195.04770 195.0 0.00513 243.35451 195.30373 195.0 0.00513 243.42340 195.56438 195.0 0.00513 243.49228 195.83000 191.0 0.00524 243.56113 196.10095 194.0 0.00515 243.62994 196.37811 196.0 0.00510 243.69873 196.66188 197.0 0.00508 243.76749 196.95320 200.0 0.00500 243.83621 197.25290 202.0 0.00495 243.90491 197.56203 199.0 0.00503 243.97357 197.88161 200.0 0.00500 244.04221 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245.93491 363.39920 366.0 0.002732 245.86713 362.57950 361.0 0.002770 245.79929 362.29810 361.0 0.002770 245.73145 362.33340 360.0 0.002778 245.66354 362.41498 363.0 0.002755 245.59564 362.24664 360.0 0.002778 245.52768 361.53641 360.0 0.002778 245.45972 360.03882 354.0 0.002825 245.39169 357.59247 352.0 0.002841 245.32367 354.10056 345.0 0.002899 245.25562 349.66315 337.0 0.002967 245.18752 344.38675 332.0 0.003012 245.11940 338.49173 328.0 0.003049 245.05122 332.21887 324.0 0.003086 244.98305 325.86896 317.0 0.003155 244.91481 319.70914 313.0 0.003195 244.84659 313.97107 310.0 0.003226 244.77829 308.82965 310.0 0.003226 244.70999 304.39148 310.0 0.003226 244.64166 300.71445 309.0 0.003236 244.57327 297.80511 307.0 0.003257 244.50490 295.61765 310.0 0.003226 244.43645 294.04837 310.0 0.003226 244.36800 292.97751 313.0 0.003195 244.29948 292.25839 312.0 0.003205 244.23099 291.74286 312.0 0.003205 244.16245 291.29974 310.0 0.003226 244.09384 290.83231 309.0 0.003236 244.02525 290.29694 311.0 0.003215 243.95659 289.71210 310.0 0.003226 243.88792 289.14795 309.0 0.003236 243.81921 288.70035 306.0 0.003268 243.75049 288.45001 306.0 0.003268 243.68172 288.43729 305.0 0.003279 243.61293 288.67966 307.0 0.003257 243.54411 289.10687 308.0 0.003247 243.47525 289.62585 309.0 0.003236 243.40637 290.11386 310.0 0.003226 243.33745 290.42136 311.0 0.003215 243.26851 290.41672 313.0 0.003195 243.19952 289.96994 312.0 0.003205 243.13052 289.05930 308.0 0.003247 243.06148 287.72763 304.0 0.003289 242.99242 286.07526 301.0 0.003322 242.92334 284.22672 299.0 0.003344 242.85420 282.32169 295.0 0.003390 242.78505 280.46841 292.0 0.003425 242.71585 278.68124 289.0 0.003460 242.64664 277.05789 288.0 0.003472 242.57738 275.63779 286.0 0.003497 242.50812 274.43799 286.0 0.003497 242.43881 273.43823 285.0 0.00351 242.36946 272.60156 283.0 0.00353 242.30009 271.88708 282.0 0.00355 242.23068 271.24161 279.0 0.00358 242.16127 270.68982 279.0 0.00358 242.09180 270.29129 278.0 0.00360 242.02232 270.12830 276.0 0.00362 241.95277 270.29565 279.0 0.00358 241.88324 270.88022 278.0 0.00360 241.81367 271.94855 281.0 0.00356 241.74405 273.53647 283.0 0.00353 241.67441 275.63181 285.0 0.00351 241.60472 278.17728 286.0 0.003497 241.53503 281.06149 287.0 0.003484 241.46529 284.11658 291.0 0.003436 241.39554 287.13165 295.0 0.003390 241.32573 289.87991 299.0 0.003344 241.25591 292.10864 301.0 0.003322 241.18607 293.59583 304.0 0.003289 241.11617 294.16592 306.0 0.003268 241.04626 293.72083 308.0 0.003247 240.97630 292.26190 310.0 0.003226 240.90634 289.86078 310.0 0.003226 240.83632 286.74960 309.0 0.003236 240.76630 283.10992 307.0 0.003257 240.69624 279.17416 303.0 0.003300 240.62613 275.15991 300.0 0.003333 240.55602 271.24734 295.0 0.003390 240.48584 267.58542 290.0 0.003448 240.41566 264.27750 290.0 0.003448 240.34543 261.38644 286.0 0.003497 240.27519 258.93796 285.0 0.00351 240.20490 256.92532 285.0 . . . 285.0 . . . 278.0 . . . 281.0 . . . 275.0 . . . 277.0 . . . 279.0 . . . 278.0 . . . 277.0 . . . 277.0 . . . 276.0 . . . 273.0 . . . 271.0 . . . 274.0 . . . 272.0 . . . 273.0 . . . 272.0 . . . 272.0 . . . 270.0 . . . 269.0 . . . 272.0 . . . 271.0 . . . 271.0 . . . 270.0 . . . 271.0 . . . 269.0 . . . 271.0 . . . 275.0 . . . 276.0 . . . 278.0 . . . 282.0 . . . 286.0 . . . 286.0 . . . 288.0 . . . 290.0 . . . 291.0 . . . 290.0 . . . 289.0 . . . 288.0 . . . 288.0 . . . 288.0 . . . 288.0 . . . 287.0 . . . 286.0 . . . 284.0 . . . 284.0 . . . 283.0 . . . 282.0 . . . 284.0 . . . 285.0 . . . 290.0 . . . 291.0 . . . 296.0 . . . 304.0 . . . 313.0 . . . 315.0 . . . 319.0 . . . 321.0 . . . 322.0 . . . 324.0 . . . 321.0 . . . 322.0 . . . 323.0 . . . 323.0 . . . 325.0 . . . 329.0 . . . 332.0 . . . 337.0 . . . 340.0 . . . 340.0 . . . 337.0 . . . 333.0 . . . 331.0 . . . 328.0 . . . 326.0 . . . 320.0 . . . 316.0 . . . 311.0 . . . 309.0 . . . 307.0 . . . 303.0 . . . 301.0 . . . 299.0 . . . 298.0 . . . 297.0 . . . 295.0 . . . 298.0 . . . 299.0 . . . 300.0 . . . 298.0 . . . 298.0 . . . 297.0 . . . 289.0 . . . -206.0 . . . 296.0 . . . -562.0 . . . -172.0 . . . 2.0 . . . 298.0 . . . 294.0 . . . 291.0 . . . 293.0 . . . 294.0 . . . 294.0 . . . 296.0 . . . 302.0 . . . 301.0 . . . 301.0 . . . 303.0 . . . 306.0 . . . 307.0 . . . 310.0 . . . 310.0 . . . 305.0 . . . 304.0 . . . 301.0 . . . 300.0 . . . 292.0 . . . 290.0 . . . 287.0 . . . 287.0 . . . 287.0 . . . 283.0 . . . 289.0 . . . 289.0 . . . 284.0 . . . 289.0 . . . 289.0 . . . 290.0 . . . 292.0 . . . 295.0 . . . 295.0 . . . 295.0 . . . 297.0 . . . 295.0 . . . 294.0 . . . 292.0 . . . 291.0 . . . 290.0 . . . 290.0 . . . 289.0 . . . 293.0 . . . 293.0 . . . 292.0 . . . 293.0 . . . 292.0 . . . 293.0 . . . 294.0 . . . 296.0 . . . 302.0 . . . 306.0 . . . 307.0 . . . 309.0 . . . 315.0 . . . 317.0 . . . 320.0 . . . 325.0 . . . 326.0 . . . 330.0 . . . 336.0 . . . 339.0 . . . 339.0 . . . 338.0 . . . 339.0 . . . 337.0 . . . 331.0 . . . 322.0 . . . 316.0 . . . 308.0 . . . 301.0 . . . 297.0 . . . 293.0 . . . 290.0 . . . 288.0 . . . 286.0 . . . 286.0 . . . 282.0 . . . 285.0 . . . 281.0 . . . 281.0 . . . 279.0 . . . 281.0 . . . 278.0 . . . 277.0 . . . 279.0 . . . 276.0 . . . 280.0 . . . 279.0 . . . 281.0 . . . 283.0 . . . 280.0 . . . 280.0 . . . 278.0 . . . 277.0 . . . 280.0 . . . 280.0 . . . 279.0 . . . 277.0 . . . 269.0 . . . _pd_meas_number_of_points 5599 _pd_proc_number_of_points 5599 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 0 -1 o 966.854 970.640 0.00 11.12880 13.98 1 0 1 o 10.989 10.509 180.00 10.26206 0.13 0 0 2 o 5643.140 5593.193 0.00 9.93680 65.56 0 1 0 o 5085.373 5083.993 0.00 7.19852 31.13 0 1 1 o 3.788 14.268 180.00 6.76820 0.04 2 0 0 o 546.678 561.432 0.00 6.32297 2.48 1 1 0 o 58.354 71.321 0.00 6.25597 0.52 1 0 -3 o 3219.505 3267.850 0.00 6.09620 14.90 1 1 -1 o 3913.746 3921.505 180.00 6.04427 31.06 1 1 1 o 299.308 320.522 0.00 5.89319 2.34 0 1 2 o 1949.692 1866.352 180.00 5.82957 14.20 1 0 3 o 990.623 1008.973 180.00 5.66388 3.35 2 0 -2 o 3310.238 3331.899 180.00 5.56440 11.91 1 1 -2 o 1505.812 1444.999 180.00 5.40286 9.31 2 0 2 o 34875.359 34778.477 180.00 5.13103 100.00 1 1 2 o 5.036 5.054 180.00 5.19172 0.03 0 0 4 o 3623.978 3786.768 0.00 4.96840 10.47 0 1 3 o 8981.429 9076.810 180.00 4.87456 45.12 2 1 0 o 836.386 833.670 0.00 4.75058 4.14 2 1 -1 o 3589.606 3620.732 180.00 4.69215 16.99 1 1 -3 o 52.563 52.956 0.00 4.65212 0.24 2 1 1 o 4562.521 4461.634 0.00 4.55186 20.93 1 1 3 o 75.602 58.573 180.00 4.45124 0.32 2 1 -2 o 336.396 324.267 0.00 4.40246 1.39 2 1 2 o 7473.498 7437.594 180.00 4.17825 28.43 3 0 -1 o 5657.024 5863.551 180.00 4.20043 11.26 0 1 4 o 639.322 674.400 0.00 4.08901 2.28 2 0 -4 o 91.110 95.693 180.00 4.08804 0.19 3 0 1 o 833.590 723.307 180.00 4.05080 1.54 2 1 -3 o 744.436 732.674 180.00 3.98938 2.55 1 1 -4 o 679.409 751.204 0.00 3.97720 2.34 1 0 -5 o 3111.259 3289.987 180.00 3.89258 5.81 1 1 4 o 17471.252 17222.906 0.00 3.80957 52.91 2 0 4 o 3025.778 3068.307 0.00 3.74742 4.42 2 1 3 o 11266.242 11388.887 180.00 3.74340 33.55 1 0 5 o 230.814 288.860 0.00 3.69852 0.34 3 0 -3 o 107.993 113.305 0.00 3.70960 0.17 3 1 0 o 745.449 827.768 0.00 3.63754 2.16 3 1 -1 o 339.580 358.503 180.00 3.62796 0.97 0 2 0 o 57913.46 57578.04 180.00 3.59926 87.72 3 1 1 o 3737.530 3760.093 0.00 3.53023 10.27 2 1 -4 o 78.591 71.337 0.00 3.55480 0.22 0 2 1 o 410.356 391.162 0.00 3.54164 1.19 0 1 5 o 3707.499 3668.486 180.00 3.47954 9.70 3 1 -2 o 1.401 1.157 0.00 3.50415 0.00 1 1 -5 o 147.961 133.446 0.00 3.42403 0.39 3 0 3 o 2590.516 2353.920 180.00 3.42069 3.27 1 2 0 o 25324.107 25301.316 0.00 3.46177 69.78 1 2 -1 o 15.608 14.048 180.00 3.42461 0.04 1 2 1 o 10213.434 9923.830 0.00 3.39641 27.02 0 2 2 o 4650.679 4595.618 180.00 3.38410 11.92 3 1 2 o 9556.675 9442.157 180.00 3.33392 23.25 2 1 4 o 953.112 929.640 0.00 3.32398 2.19 0 0 6 o 1386.363 1310.383 180.00 3.31227 1.76 3 1 -3 o 31.319 31.227 0.00 3.29750 0.07 1 2 -2 o 7472.551 7479.742 0.00 3.29419 17.79 1 1 5 o 2149.731 2126.523 0.00 3.28971 4.87 1 2 2 o 20610.004 20642.076 0.00 3.24452 48.65 0 2 3 o 827.849 837.990 0.00 3.16260 1.79 2 1 -5 o 2001.010 2107.208 0.00 3.15439 4.46 2 2 0 o 758.345 700.807 0.00 3.12798 1.65 4 0 0 o 9495.338 9712.029 180.00 3.16149 10.64 2 2 -1 o 5320.933 5245.105 0.00 3.11113 11.27 1 2 -3 o 416.814 404.393 180.00 3.09937 0.85 3 1 3 o 3410.428 3559.992 180.00 3.08960 7.00 2 2 1 o 12884.443 12968.487 0.00 3.06919 27.17 4 0 -2 o 105.764 108.300 0.00 3.09357 0.11 3 1 -4 o 4244.771 4234.980 0.00 3.04915 8.66 1 2 3 o 3404.424 3393.392 0.00 3.03778 6.83 2 2 -2 o 315.815 318.519 180.00 3.02214 0.62 2 0 -6 o 3232.953 3245.430 180.00 3.04810 3.69 0 1 6 o 5.324 7.286 180.00 3.00901 0.01 3 0 -5 o 1435.292 1456.195 180.00 3.03010 1.57 1 1 -6 o 1422.545 1448.692 180.00 2.98228 2.85 2 1 5 o 35.745 40.277 180.00 2.95249 0.06 2 2 2 o 730.807 776.597 0.00 2.94659 1.41 4 0 2 o 1669.393 1747.487 180.00 2.93783 1.60 0 2 4 o 498.883 493.991 0.00 2.91479 0.89 4 1 -1 o 199.096 228.844 0.00 2.89841 0.36 4 1 0 o 76.789 88.563 180.00 2.89462 0.14 2 2 -3 o 318.778 314.491 180.00 2.87804 0.55 1 1 6 o 4.742 4.687 180.00 2.87522 0.01 1 2 -4 o 1414.460 1401.725 0.00 2.87346 2.44 4 1 -2 o 9.889 9.724 180.00 2.84222 0.02 3 1 4 o 4271.208 4147.594 0.00 2.83279 7.22 2 0 6 o 13.045 12.734 180.00 2.83194 0.01 4 1 1 o 180.290 176.451 0.00 2.83157 0.32 1 0 -7 o 163.889 159.529 0.00 2.82458 0.16 1 2 4 o 699.023 701.933 0.00 2.80829 1.17 2 1 -6 o 355.030 362.451 0.00 2.80684 0.64 3 1 -5 o 32.135 33.694 180.00 2.79277 0.06 2 2 3 o 53.010 55.980 0.00 2.78147 0.09 3 0 5 o 6.456 16.648 180.00 2.77098 0.01 4 0 -4 o 870.590 899.972 180.00 2.78220 0.77 3 2 0 o 21.978 25.009 0.00 2.73721 0.04 4 1 -3 o 1212.298 1362.345 0.00 2.73582 1.97 3 2 -1 o 43.288 47.976 180.00 2.73312 0.07 4 1 2 o 0.210 0.233 0.00 2.72003 0.00 1 0 7 o 1544.477 1768.140 180.00 2.71872 1.24 2 2 -4 o 15.018 18.937 180.00 2.70143 0.02 3 2 1 o 353.622 426.747 0.00 2.69060 0.56 3 2 -2 o 307.017 281.817 0.00 2.67900 0.47 0 2 5 o 2148.181 2261.514 180.00 2.66795 3.18 1 2 -5 o 362.337 329.176 0.00 2.64268 0.53 0 1 7 o 632.735 585.978 0.00 2.64109 0.97 2 1 6 o 22.551 22.402 180.00 2.63534 0.03 1 1 -7 o 46.755 50.984 0.00 2.62940 0.07 3 2 2 o 1339.241 1208.342 0.00 2.60058 1.98 2 2 4 o 52.229 46.874 0.00 2.59586 0.07 4 1 -4 o 746.385 671.292 180.00 2.59511 1.10 3 1 5 o 350.206 330.726 0.00 2.58600 0.48 3 2 -3 o 597.701 575.198 180.00 2.58319 0.83 1 2 5 o 117.388 115.003 0.00 2.57944 0.16 4 1 3 o 4748.618 4694.746 180.00 2.57629 6.81 4 0 4 o 12.566 9.472 180.00 2.56552 0.01 3 1 -6 o 218.660 271.151 0.00 2.54881 0.32 1 1 7 o 205.415 218.053 180.00 2.54337 0.28 5 0 -1 o 822.719 782.332 180.00 2.53750 0.59 2 2 -5 o 4.945 11.610 180.00 2.51264 0.01 2 1 -7 o 9.419 21.936 180.00 2.51241 0.01 0 0 8 o 242.217 195.436 0.00 2.48420 0.17 5 0 1 o 4071.054 3532.821 180.00 2.48135 2.78 3 2 3 o 1715.071 1531.515 180.00 2.47952 2.27 3 2 -4 o 6.570 6.111 180.00 2.45847 0.01 0 2 6 o 295.674 284.599 180.00 2.43728 0.36 4 1 -5 o 1795.880 1750.541 180.00 2.43663 2.35 3 0 -7 o 4639.482 4332.855 180.00 2.45874 3.38 1 2 -6 o 799.878 758.293 180.00 2.42301 0.98 4 1 4 o 1590.661 1566.169 0.00 2.41663 1.97 5 0 -3 o 1792.295 1754.886 180.00 2.43646 1.18 2 2 5 o 336.620 298.618 180.00 2.40695 0.41 0 3 0 o 60.663 56.707 180.00 2.39951 0.04 5 1 -1 o 590.789 565.123 180.00 2.39316 0.73 5 1 0 o 53.163 50.624 180.00 2.38619 0.07 2 0 -8 o 3218.783 3075.390 180.00 2.38581 2.23 0 3 1 o 1385.773 1348.893 0.00 2.38221 1.80 4 2 -1 o 318.559 299.706 0.00 2.37738 0.38 4 2 0 o 654.623 605.009 0.00 2.37529 0.79 4 0 -6 o 957.660 921.385 0.00 2.39635 0.64 2 1 7 o 1247.637 1174.750 0.00 2.36807 1.44 5 1 -2 o 38.811 37.151 0.00 2.36594 0.05 1 2 6 o 0.134 0.126 180.00 2.36453 0.00 3 1 6 o 618.620 554.473 0.00 2.36018 0.70 1 3 0 o 338.498 298.458 0.00 2.35744 0.43 0 1 8 o 175.214 177.411 180.00 2.34830 0.21 4 2 -2 o 855.082 892.272 180.00 2.34607 0.99 5 1 1 o 141.601 148.287 0.00 2.34589 0.17 1 3 -1 o 3444.764 3613.358 0.00 2.34560 4.28 1 1 -8 o 474.101 499.148 180.00 2.34464 0.59 3 2 4 o 23.961 24.755 0.00 2.34076 0.03 4 2 1 o 1192.325 1222.227 0.00 2.34007 1.41 1 3 1 o 73.251 69.905 0.00 2.33648 0.09 0 3 2 o 352.609 316.651 180.00 2.33247 0.43 3 1 -7 o 20.629 19.770 0.00 2.32675 0.03 2 2 -6 o 897.579 867.287 0.00 2.32606 1.01 3 2 -5 o 20.182 18.544 0.00 2.31803 0.02 5 1 -3 o 461.926 487.171 180.00 2.30785 0.53 1 3 -2 o 89.890 93.935 0.00 2.30240 0.11 5 0 3 o 2352.144 2624.271 180.00 2.29551 1.35 1 3 2 o 274.880 310.576 180.00 2.28524 0.32 4 2 -3 o 19.299 21.718 180.00 2.28515 0.02 5 1 2 o 268.951 215.997 0.00 2.27708 0.30 4 2 2 o 291.621 230.768 180.00 2.27593 0.33 1 1 8 o 88.446 70.732 180.00 2.27461 0.10 4 1 -6 o 110.668 87.801 0.00 2.27368 0.13 2 1 -8 o 319.197 289.215 180.00 2.26467 0.38 3 0 7 o 3573.052 3344.638 0.00 2.26300 1.86 0 3 3 o 1447.119 1459.154 0.00 2.25607 1.62 4 1 5 o 455.048 463.934 0.00 2.25383 0.48 2 0 8 o 4.118 4.028 180.00 2.24492 0.00 2 3 0 o 524.689 501.916 0.00 2.24340 0.59 2 3 -1 o 190.889 201.639 180.00 2.23716 0.21 1 3 -3 o 184.357 218.101 0.00 2.23277 0.20 0 2 7 o 10.047 12.438 0.00 2.22908 0.01 2 2 6 o 59.954 74.197 0.00 2.22562 0.06 5 1 -4 o 224.134 274.416 180.00 2.22540 0.24 1 2 -7 o 39.412 52.173 180.00 2.22204 0.04 2 3 1 o 39.173 53.205 180.00 2.22141 0.04 1 3 3 o 1037.589 1155.905 180.00 2.20941 1.11 1 0 -9 o 457.096 505.586 0.00 2.20895 0.26 5 0 -5 o 598.437 730.788 0.00 2.22576 0.33 2 3 -2 o 2059.425 2212.930 180.00 2.20337 2.17 4 2 -4 o 59.999 65.339 180.00 2.20123 0.06 3 2 5 o 1143.061 1301.189 0.00 2.19566 1.15 4 0 6 o 344.686 398.506 0.00 2.19129 0.17 4 2 3 o 1562.209 1819.519 180.00 2.18971 1.60 5 1 3 o 268.495 330.034 180.00 2.18700 0.28 2 3 2 o 971.920 1205.201 0.00 2.17358 1.02 3 2 -6 o 401.001 494.091 180.00 2.17276 0.39 1 2 7 o 118.542 153.441 0.00 2.16939 0.11 0 3 4 o 280.928 315.030 0.00 2.16071 0.28 3 1 7 o 1165.425 1314.584 180.00 2.15884 1.10 2 2 -7 o 2257.150 2407.535 0.00 2.15008 2.19 2 3 -3 o 814.737 799.548 0.00 2.14562 0.80 1 3 -4 o 55.187 53.008 0.00 2.14372 0.05 2 1 8 o 235.113 229.621 0.00 2.14312 0.22 1 0 9 o 1.294 1.262 180.00 2.14307 0.00 3 1 -8 o 62.105 67.566 0.00 2.12930 0.06 5 1 -5 o 1064.623 1127.333 0.00 2.12643 1.05 1 3 4 o 1958.069 1909.139 180.00 2.11625 1.88 4 1 -7 o 3130.836 2997.984 180.00 2.11520 3.15 1 1 -9 o 1262.086 1221.373 180.00 2.11176 1.28 0 1 9 o 2.727 2.658 180.00 2.11109 0.00 6 0 0 o 2561.628 2561.778 0.00 2.10766 1.25 2 3 3 o 1902.844 1806.978 0.00 2.10470 1.84 4 2 -5 o 3580.723 3192.959 180.00 2.10201 3.28 4 1 6 o 784.768 648.802 180.00 2.09632 0.71 4 2 4 o 183.154 172.535 180.00 2.08912 0.17 3 3 0 o 402.099 393.387 180.00 2.08532 0.38 6 0 -2 o 7997.240 6833.500 0.00 2.10021 3.86 5 1 4 o 377.615 359.467 0.00 2.08355 0.35 3 3 -1 o 45.573 43.424 0.00 2.08351 0.04 5 2 -1 o 398.264 343.778 0.00 2.07391 0.36 2 3 -4 o 185.769 171.249 0.00 2.06937 0.17 5 2 0 o 4603.800 4247.424 180.00 2.06937 4.19 3 3 1 o 335.577 270.886 180.00 2.06449 0.31 3 3 -2 o 51.524 47.496 0.00 2.05924 0.05 2 2 7 o 230.503 222.988 180.00 2.05751 0.20 5 2 -2 o 2288.607 2272.163 180.00 2.05611 2.02 2 1 -9 o 569.625 567.350 180.00 2.05585 0.55 0 3 5 o 98.160 96.155 0.00 2.05421 0.09 1 1 9 o 59.630 58.027 180.00 2.05398 0.05 5 0 5 o 931.672 888.905 180.00 2.05241 0.41 3 2 6 o 29.521 28.151 180.00 2.05234 0.03 0 2 8 o 44.705 41.782 0.00 2.04451 0.04 5 2 1 o 757.409 699.479 0.00 2.04292 0.68 1 3 -5 o 177.414 163.460 180.00 2.04261 0.15 1 2 -8 o 2343.094 2152.122 0.00 2.04209 2.05 3 0 -9 o 11485.493 10889.255 180.00 2.03207 5.68 3 2 -7 o 304.750 288.802 0.00 2.03024 0.26 6 1 -1 o 1545.674 1462.405 180.00 2.02995 1.37 4 0 -8 o 3812.231 3555.378 180.00 2.04402 1.87 6 0 2 o 872.995 895.433 0.00 2.02540 0.39 3 3 2 o 22.347 23.727 0.00 2.02298 0.02 6 1 0 o 4.946 5.287 0.00 2.02274 0.00 2 3 4 o 16.576 17.670 180.00 2.02075 0.01 5 1 -6 o 676.022 724.682 0.00 2.01844 0.61 5 2 -3 o 618.258 680.725 0.00 2.01765 0.52 6 1 -2 o 43.645 50.597 180.00 2.01616 0.04 3 3 -3 o 16.232 20.109 180.00 2.01476 0.01 1 3 5 o 650.908 862.497 180.00 2.01298 0.55 5 2 2 o 86.838 90.256 0.00 1.99698 0.07 1 2 8 o 3635.372 3626.251 180.00 1.99532 2.95 6 1 1 o 5216.596 5171.677 180.00 1.99519 4.49 4 2 -6 o 98.076 96.307 180.00 1.99469 0.08 6 0 -4 o 820.133 856.562 0.00 2.00577 0.36 2 2 -8 o 17.428 15.727 180.00 1.98860 0.01 0 0 10 o 151.031 139.194 0.00 1.98736 0.07 6 1 -3 o 671.736 637.117 0.00 1.98261 0.57 3 1 8 o 502.116 474.511 0.00 1.98155 0.40 4 2 5 o 2242.255 2114.989 0.00 1.98125 1.83 2 3 -5 o 941.280 885.446 180.00 1.98074 0.76 5 1 5 o 928.264 876.141 0.00 1.97376 0.76 4 1 -8 o 0.106 0.114 0.00 1.96629 0.00 3 3 3 o 68.934 69.036 0.00 1.96440 0.06 5 0 -7 o 862.315 812.923 0.00 1.97830 0.39 5 2 -4 o 2769.832 2539.447 180.00 1.96186 2.21 3 1 -9 o 65.857 66.558 180.00 1.95564 0.06 3 3 -4 o 226.310 244.729 0.00 1.95388 0.18 2 1 9 o 613.127 685.017 180.00 1.95296 0.48 6 1 2 o 166.566 203.521 0.00 1.94969 0.14 4 1 7 o 602.133 706.261 180.00 1.94879 0.46 2 0 -10 o 1081.571 1156.085 0.00 1.94629 0.49 0 3 6 o 490.787 430.507 180.00 1.94319 0.38 1 3 -6 o 429.531 532.003 180.00 1.93594 0.33 5 2 3 o 431.038 542.502 180.00 1.93540 0.34 6 1 -4 o 3.909 5.802 180.00 1.93216 0.00 2 3 5 o 666.953 938.061 0.00 1.92772 0.52 1 1 -10 o 1.866 2.181 180.00 1.91870 0.00 3 2 7 o 2508.429 2572.071 180.00 1.91580 1.86 0 1 10 o 200.297 203.928 180.00 1.91569 0.16 4 3 -1 o 64.818 67.048 180.00 1.91242 0.05 4 3 0 o 833.246 865.229 0.00 1.91133 0.65 5 1 -7 o 456.061 477.268 0.00 1.90757 0.37 1 3 6 o 1.266 1.358 0.00 1.90572 0.00 2 2 8 o 1610.239 1763.159 0.00 1.90478 1.18 4 3 -2 o 173.260 152.493 180.00 1.89601 0.13 3 2 -8 o 456.786 398.414 180.00 1.89506 0.35 3 3 4 o 317.315 288.284 180.00 1.89321 0.24 5 2 -5 o 42.320 38.633 0.00 1.89304 0.03 4 3 1 o 342.854 314.330 0.00 1.89284 0.26 6 1 3 o 10.201 9.836 180.00 1.88985 0.01 3 0 9 o 13994.095 13583.126 0.00 1.88796 5.04 2 3 -6 o 1526.010 1468.353 180.00 1.88540 1.10 4 2 -7 o 1907.096 1828.082 180.00 1.88510 1.42 1 2 -9 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117.636 125.284 0.00 1.81975 0.08 6 2 0 o 386.310 411.427 180.00 1.81877 0.27 4 3 -4 o 837.312 881.946 0.00 1.81707 0.56 5 2 -6 o 40.025 41.034 180.00 1.81564 0.03 6 2 -2 o 1830.217 1753.263 180.00 1.81398 1.25 3 3 5 o 97.335 92.838 0.00 1.81393 0.07 7 0 -1 o 1601.024 1526.023 0.00 1.81381 0.57 4 1 8 o 298.754 277.175 180.00 1.81329 0.20 1 0 -11 o 38.513 33.090 0.00 1.81132 0.01 4 3 3 o 202.915 172.331 180.00 1.81057 0.14 5 0 7 o 70.156 60.609 0.00 1.80992 0.02 3 1 -10 o 428.049 564.332 180.00 1.80350 0.32 3 3 -6 o 222.908 264.522 180.00 1.80095 0.15 0 4 0 o 362.729 389.515 180.00 1.79963 0.13 1 3 7 o 28.660 29.291 0.00 1.79903 0.02 6 2 1 o 1663.388 1650.895 180.00 1.79866 1.14 5 1 -8 o 9.205 8.827 180.00 1.79826 0.01 6 1 -6 o 337.225 286.384 0.00 1.79613 0.24 0 4 1 o 646.134 506.836 180.00 1.79230 0.46 2 1 10 o 105.810 83.256 180.00 1.79110 0.07 6 2 -3 o 80.455 63.456 180.00 1.78943 0.05 3 2 8 o 3.639 2.969 0.00 1.78865 0.00 2 3 -7 o 328.913 273.118 0.00 1.78797 0.21 7 0 1 o 1.207 1.205 0.00 1.78483 0.00 5 2 5 o 1151.453 1188.663 0.00 1.78291 0.76 1 4 0 o 3339.455 3476.151 180.00 1.78168 2.37 4 2 -8 o 19.557 21.266 180.00 1.77740 0.01 1 4 -1 o 401.184 453.816 180.00 1.77655 0.28 1 4 1 o 4905.268 5790.800 180.00 1.77258 3.44 7 0 -3 o 766.719 796.934 0.00 1.78383 0.26 0 4 2 o 614.386 668.001 180.00 1.77082 0.43 3 2 -9 o 1589.660 1619.945 0.00 1.76953 1.06 2 2 9 o 2108.242 1994.977 180.00 1.76754 1.32 1 0 11 o 647.181 592.707 0.00 1.76658 0.22 6 2 2 o 500.200 436.902 180.00 1.76512 0.33 4 2 7 o 60.913 51.630 0.00 1.76444 0.04 4 3 -5 o 2.596 2.027 180.00 1.76004 0.00 7 1 -1 o 181.063 145.124 0.00 1.75884 0.12 1 4 -2 o 902.651 755.743 180.00 1.75756 0.61 1 1 -11 o 68.287 59.435 0.00 1.75657 0.05 5 1 7 o 17.185 15.679 180.00 1.75529 0.01 4 0 -10 o 1974.417 1863.568 0.00 1.75463 0.71 4 3 4 o 1526.009 1502.337 180.00 1.75246 0.99 0 1 11 o 18.492 18.183 0.00 1.75234 0.01 7 1 0 o 75.130 74.913 180.00 1.75223 0.05 6 2 -4 o 11.995 11.909 0.00 1.75208 0.01 7 1 -2 o 149.094 149.239 180.00 1.75175 0.10 1 4 2 o 4559.048 4410.134 180.00 1.74989 3.09 5 3 -1 o 1315.594 1329.561 0.00 1.74345 0.83 6 1 5 o 100.094 101.059 0.00 1.74334 0.06 5 0 -9 o 31.180 31.553 0.00 1.74229 0.01 1 2 -10 o 1194.140 1197.896 0.00 1.74202 0.76 5 3 0 o 300.618 296.119 180.00 1.74075 0.19 0 2 10 o 11.053 10.731 180.00 1.73977 0.01 0 4 3 o 1805.195 1673.119 180.00 1.73669 1.19 5 2 -7 o 309.710 277.738 180.00 1.73368 0.19 2 3 7 o 248.157 222.275 0.00 1.73368 0.15 5 3 -2 o 97.812 86.822 180.00 1.73284 0.06 7 1 1 o 316.379 279.394 0.00 1.73238 0.20 7 1 -3 o 418.766 364.179 180.00 1.73146 0.27 2 4 0 o 179.804 156.361 0.00 1.73089 0.12 3 3 6 o 624.798 544.846 180.00 1.73057 0.38 2 4 -1 o 565.796 502.430 180.00 1.72802 0.37 2 1 -11 o 1218.860 1086.845 180.00 1.72765 0.83 1 4 -3 o 232.641 208.085 180.00 1.72599 0.15 0 3 8 o 402.932 360.965 0.00 1.72587 0.24 5 3 1 o 5.462 4.930 0.00 1.72492 0.00 1 3 -8 o 596.487 542.064 0.00 1.72442 0.36 2 4 1 o 20.134 19.924 0.00 1.72073 0.01 6 2 3 o 2378.400 2370.292 180.00 1.72034 1.48 6 1 -7 o 5.340 5.547 180.00 1.71847 0.00 3 3 -7 o 2.230 2.335 180.00 1.71726 0.00 3 0 -11 o 2170.045 2298.193 180.00 1.71705 0.76 1 1 11 o 0.006 0.006 180.00 1.71567 0.00 1 4 3 o 4280.337 4302.123 180.00 1.71513 2.75 2 4 -2 o 6.579 5.764 0.00 1.71230 0.00 2 2 -10 o 867.640 748.418 180.00 1.71202 0.54 6 0 6 o 273.529 215.504 180.00 1.71034 0.08 5 3 -3 o 243.447 185.299 0.00 1.70962 0.14 1 2 10 o 0.008 0.006 0.00 1.70562 0.00 4 1 -10 o 840.681 694.511 0.00 1.70472 0.56 7 0 3 o 264.957 219.430 0.00 1.70470 0.08 6 2 -5 o 31.959 27.120 0.00 1.70429 0.02 7 0 -5 o 162.180 150.441 0.00 1.70295 0.05 7 1 2 o 2301.051 2307.688 0.00 1.70059 1.42 5 2 6 o 6.421 6.395 0.00 1.70007 0.00 7 1 -4 o 316.455 318.707 180.00 1.69929 0.19 2 4 2 o 1568.572 1555.646 0.00 1.69821 0.99 5 3 2 o 38.995 37.986 0.00 1.69700 0.02 1 3 8 o 864.602 828.038 180.00 1.69598 0.50 4 3 -6 o 119.250 113.454 0.00 1.69559 0.07 5 1 -9 o 445.499 399.531 0.00 1.69339 0.29 0 4 4 o 230.743 195.135 180.00 1.69205 0.14 2 3 -8 o 6.801 5.735 180.00 1.69184 0.00 4 1 9 o 552.977 478.670 180.00 1.69026 0.31 3 1 10 o 67.401 58.643 180.00 1.69009 0.04 4 3 5 o 54.666 55.322 180.00 1.68731 0.03 2 4 -3 o 1744.063 1879.441 0.00 1.68477 1.05 1 4 -4 o 137.277 141.794 0.00 1.68385 0.08 6 0 -8 o 530.698 525.372 180.00 1.68302 0.17 5 3 -4 o 144.191 138.264 180.00 1.67528 0.08 4 2 -9 o 861.197 859.786 180.00 1.67427 0.51 3 2 9 o 1159.050 1187.589 180.00 1.67191 0.64 1 4 4 o 524.257 542.909 180.00 1.67044 0.31 3 1 -11 o 79.491 82.469 0.00 1.67019 0.05 6 2 4 o 12.007 11.755 0.00 1.66696 0.01 2 4 3 o 999.494 918.682 0.00 1.66474 0.60 6 1 6 o 20.966 18.650 180.00 1.66402 0.01 4 2 8 o 239.863 196.995 0.00 1.66199 0.13 7 1 3 o 3.707 2.978 0.00 1.65882 0.00 5 3 3 o 26.825 21.792 180.00 1.65872 0.02 7 1 -5 o 4.410 3.905 180.00 1.65721 0.00 0 0 12 o 94.726 83.791 0.00 1.65613 0.03 3 4 0 o 454.506 400.023 0.00 1.65510 0.27 3 2 -10 o 156.361 133.823 0.00 1.65445 0.09 3 4 -1 o 328.572 275.632 0.00 1.65420 0.19 5 1 8 o 34.861 27.002 180.00 1.65273 0.02 2 1 11 o 476.660 363.480 180.00 1.65226 0.27 5 2 -8 o 402.660 293.832 180.00 1.65040 0.23 6 2 -6 o 10.809 8.752 0.00 1.64875 0.01 2 4 -4 o 573.782 522.730 0.00 1.64710 0.33 3 3 7 o 155.049 144.175 0.00 1.64633 0.08 2 2 10 o 349.243 327.514 180.00 1.64486 0.19 3 4 1 o 365.756 345.311 0.00 1.64463 0.21 3 4 -2 o 118.922 107.055 180.00 1.64197 0.07 0 4 5 o 121.013 112.004 0.00 1.63942 0.07 2 3 8 o 1.648 1.535 0.00 1.63932 0.00 6 1 -8 o 8.270 7.769 180.00 1.63882 0.00 2 0 -12 o 245.809 235.526 180.00 1.63836 0.08 1 4 -5 o 78.374 88.460 0.00 1.63350 0.04 3 3 -8 o 1247.070 1385.723 180.00 1.63311 0.67 5 3 -5 o 833.991 867.100 180.00 1.63182 0.45 4 0 10 o 24.811 25.525 0.00 1.61866 0.01 4 3 -7 o 22.523 20.529 0.00 1.62673 0.01 1 3 -9 o 247.774 237.808 0.00 1.62516 0.13 0 3 9 o 4.327 4.190 0.00 1.62485 0.00 3 4 2 o 123.422 123.991 0.00 1.62341 0.07 2 4 4 o 256.193 264.057 0.00 1.62226 0.14 3 0 11 o 968.380 813.296 0.00 1.60936 0.25 7 2 -1 o 7.081 7.542 0.00 1.61976 0.00 3 4 -3 o 347.665 365.029 0.00 1.61915 0.19 1 1 -12 o 18.823 19.585 0.00 1.61878 0.01 1 4 5 o 406.003 416.847 0.00 1.61823 0.22 4 3 6 o 1224.677 1250.581 0.00 1.61809 0.65 1 2 -11 o 237.021 241.542 0.00 1.61799 0.13 5 2 7 o 1038.399 1025.395 180.00 1.61699 0.55 0 2 11 o 97.851 88.346 0.00 1.61468 0.05 7 2 0 o 123.551 111.216 0.00 1.61459 0.07 7 2 -2 o 1043.481 921.213 0.00 1.61422 0.56 0 1 12 o 173.105 151.446 180.00 1.61397 0.10 5 3 4 o 575.888 477.973 180.00 1.61220 0.31 7 1 4 o 48.000 41.081 0.00 1.60932 0.03 6 2 5 o 549.221 451.846 0.00 1.60763 0.29 7 1 -6 o 1824.778 1533.160 0.00 1.60748 1.01 5 0 9 o 4.705 4.612 0.00 1.59435 0.00 2 4 -5 o 244.948 183.750 180.00 1.60134 0.13 2 3 -9 o 22.857 17.663 180.00 1.59926 0.01 7 2 1 o 272.825 210.758 0.00 1.59902 0.15 1 3 9 o 89.394 69.637 0.00 1.59838 0.05 7 2 -3 o 261.573 202.260 180.00 1.59830 0.14 2 1 -12 o 320.457 252.057 180.00 1.59750 0.19 2 2 -11 o 205.404 185.812 0.00 1.59530 0.11 5 1 -10 o 115.371 111.669 0.00 1.59459 0.07 3 4 3 o 275.518 313.524 0.00 1.59267 0.15 4 1 -11 o 72.612 85.835 180.00 1.59225 0.04 7 0 5 o 112.559 134.559 0.00 1.59197 0.03 4 1 10 o 19.120 21.470 0.00 1.57923 0.01 7 0 -7 o 225.713 305.346 0.00 1.58983 0.06 6 2 -7 o 411.524 528.649 180.00 1.58807 0.21 3 4 -4 o 134.025 165.568 0.00 1.58704 0.07 6 3 -1 o 9.201 11.340 0.00 1.58698 0.00 1 2 11 o 11.605 14.006 0.00 1.58586 0.01 6 1 7 o 3.674 4.388 180.00 1.58446 0.00 1 1 12 o 81.976 97.574 180.00 1.58377 0.04 6 3 0 o 24.810 29.605 0.00 1.58353 0.01 8 0 -2 o 694.981 839.465 180.00 1.58321 0.19 5 3 -6 o 28.171 32.506 0.00 1.58146 0.01 3 1 11 o 1.613 1.674 0.00 1.57059 0.00 0 4 6 o 224.110 257.596 0.00 1.58130 0.12 8 0 0 o 41.508 46.900 0.00 1.58074 0.01 6 3 -2 o 139.154 157.136 0.00 1.58036 0.07 2 0 12 o 69.876 75.471 0.00 1.56813 0.02 1 4 -6 o 0.190 0.214 0.00 1.57738 0.00 4 2 -10 o 102.757 115.386 180.00 1.57720 0.05 7 2 2 o 196.102 220.917 0.00 1.57393 0.10 2 4 5 o 678.483 733.881 0.00 1.57293 0.35 7 2 -4 o 60.206 64.992 0.00 1.57289 0.03 6 3 1 o 808.123 828.263 0.00 1.57020 0.41 5 2 -9 o 108.569 117.353 0.00 1.56821 0.06 5 1 9 o 83.125 81.676 0.00 1.55663 0.04 4 2 9 o 1267.172 1413.161 0.00 1.56573 0.61 3 2 10 o 649.680 723.139 0.00 1.56559 0.31 4 4 -1 o 2124.470 2333.253 180.00 1.56459 1.09 6 3 -3 o 150.875 161.741 180.00 1.56405 0.07 4 4 0 o 1335.346 1427.141 0.00 1.56399 0.69 3 3 8 o 7.061 7.310 0.00 1.56353 0.00 1 4 6 o 43.393 37.613 180.00 1.56091 0.02 5 3 5 o 0.392 0.332 180.00 1.55969 0.00 6 1 -9 o 161.323 131.071 0.00 1.55962 0.09 4 3 -8 o 106.047 109.361 180.00 1.55600 0.05 4 4 -2 o 336.134 346.394 0.00 1.55556 0.17 7 1 5 o 58.783 59.430 0.00 1.55441 0.03 3 4 4 o 187.488 187.662 0.00 1.55401 0.10 4 4 1 o 32.281 32.204 0.00 1.55381 0.02 3 1 -12 o 7.359 7.197 180.00 1.55308 0.00 7 1 -7 o 72.103 71.005 180.00 1.55242 0.04 3 3 -9 o 1.422 1.515 0.00 1.55071 0.00 8 1 -1 o 6.761 7.451 0.00 1.54979 0.00 3 2 -11 o 605.079 660.426 0.00 1.54973 0.31 2 4 -6 o 2.954 3.207 180.00 1.54969 0.00 2 3 9 o 247.430 267.483 180.00 1.54937 0.12 6 3 2 o 687.139 736.419 180.00 1.54774 0.34 3 4 -5 o 130.931 140.086 0.00 1.54731 0.06 4 3 7 o 224.905 241.780 0.00 1.54728 0.11 8 0 -4 o 77.387 81.370 0.00 1.54678 0.02 8 1 -2 o 4.141 4.420 180.00 1.54625 0.00 6 2 6 o 14.848 17.293 0.00 1.54480 0.01 8 1 0 o 154.332 190.070 0.00 1.54396 0.08 2 1 12 o 16.267 14.960 0.00 1.53220 0.01 6 0 8 o 207.512 283.121 180.00 1.54071 0.05 7 2 3 o 109.719 153.444 180.00 1.54064 0.05 8 0 2 o 19.478 26.874 0.00 1.53992 0.00 7 2 -5 o 37.206 48.854 0.00 1.53934 0.02 6 3 -4 o 25.928 32.487 0.00 1.53892 0.01 4 4 -3 o 0.006 0.007 0.00 1.53741 0.00 5 0 -11 o 15.573 15.312 0.00 1.53647 0.00 5 2 8 o 371.824 362.363 0.00 1.53575 0.17 2 2 11 o 0.145 0.139 0.00 1.53537 0.00 4 4 2 o 418.200 388.238 0.00 1.53459 0.21 1 0 -13 o 329.079 302.038 180.00 1.53410 0.09 8 1 -3 o 1059.944 959.807 180.00 1.53352 0.52 1 3 -10 o 161.402 145.267 180.00 1.53210 0.08 0 3 10 o 172.534 171.566 0.00 1.53056 0.08 8 1 1 o 15.124 18.629 180.00 1.52905 0.01 5 3 -7 o 717.108 1013.824 180.00 1.52641 0.33 6 2 -8 o 86.010 119.934 0.00 1.52458 0.04 4 0 -12 o 13.318 18.642 0.00 1.52405 0.00 0 4 7 o 118.816 237.000 180.00 1.51999 0.06 2 4 6 o 230.602 442.792 180.00 1.51889 0.11 1 4 -7 o 0.936 1.745 0.00 1.51775 0.00 6 3 3 o 2.022 3.745 180.00 1.51729 0.00 6 0 -10 o 204.993 350.176 0.00 1.51505 0.05 8 1 -4 o 84.621 85.207 180.00 1.51226 0.04 1 0 13 o 125.775 139.547 180.00 1.50179 0.03 2 3 -10 o 8.329 8.063 0.00 1.51156 0.00 4 4 -4 o 509.029 482.179 0.00 1.51107 0.24 3 4 5 o 42.469 40.688 0.00 1.50926 0.02 1 2 -12 o 30.862 31.183 0.00 1.50840 0.01 4 4 3 o 60.217 66.277 0.00 1.50732 0.03 1 3 10 o 6.112 6.815 180.00 1.50716 0.00 6 1 8 o 3.160 3.667 180.00 1.50658 0.00 6 3 -5 o 9.826 11.831 0.00 1.50624 0.00 8 1 2 o 0.002 0.002 0.00 1.50585 0.00 0 2 12 o 13.045 16.569 180.00 1.50451 0.01 5 3 6 o 89.094 108.998 0.00 1.50332 0.04 5 1 -11 o 57.993 68.848 180.00 1.50262 0.03 3 4 -6 o 118.669 130.847 0.00 1.50176 0.05 7 2 4 o 1198.846 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