# Supplementary Material (ESI) for Chemical Communications # This journal is (c) The Royal Society of Chemistry 2008 data_PUBLICATIONCONSTRAIN_publ _pd_block_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN|Paul_Henry|Overall _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2007-12-17T17:50 _audit_author_name "Paul Henry" _audit_update_record ; 2007-12-17T17:50 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 ? # Paul F. Henry _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 data_PUBLICATIONCONSTRAIN_overall _refine_ls_shift/su_max 0.03 _refine_ls_shift/su_mean 0.00 _computing_structure_refinement GSAS _refine_ls_number_parameters 160 _refine_ls_goodness_of_fit_all 2.99 _refine_ls_number_restraints 42 # Overall powder R-factors _pd_proc_ls_prof_R_factor 0.0052 _pd_proc_ls_prof_wR_factor 0.0068 _refine_ls_matrix_type full # pointers to the phase blocks loop_ _pd_phase_block_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase1|Paul_Henry|| 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase2|Paul_Henry|| # pointers to the diffraction patterns loop_ _pd_block_diffractogram_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_01|Paul_Henry|D20 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_02|Paul_Henry|D20 # Information for phase 1 data_PUBLICATIONCONSTRAIN_phase_1 _pd_block_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase1|Paul_Henry|| # Histograms for phase 1 loop_ _pd_block_diffractogram_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_01|Paul_Henry|D20 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_02|Paul_Henry|D20 #============================================================================== # 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 GOO _cell_length_a 7.43605(22) _cell_length_b 17.3988(5) _cell_length_c 7.29555(21) _cell_angle_alpha 90.0 _cell_angle_beta 105.5938(25) _cell_angle_gamma 90.0 _cell_volume 909.14(4) _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M "P 1 21 1" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x,+y+1/2,-z # 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 Si SI1 0.3328(9) 0.4735(4) 0.6296(10) 1.0 Uiso 0.0127(13) 2 Si SI2 0.3167(10) 0.1309(4) 0.6046(11) 1.0 Uiso 0.0127(13) 2 Si SI3 0.0227(9) 0.2616(4) 0.5187(10) 1.0 Uiso 0.0127(13) 2 Si SI4 0.1027(9) 0.0575(4) 0.8613(9) 1.0 Uiso 0.0127(13) 2 Si SI5 0.0947(10) 0.3835(4) 0.8348(10) 1.0 Uiso 0.0127(13) 2 Si SI6 0.2401(10) 0.0021(4) 0.2777(10) 1.0 Uiso 0.0127(13) 2 Al AL7 0.7485(10) 0.1302(4) 0.5913(10) 1.0 Uiso 0.0238(30) 2 Al AL8 0.0675(10) 0.3989(4) 0.2627(10) 1.0 Uiso 0.0238(30) 2 O O9 0.7185(14) 0.0639(4) 0.4099(12) 1.0 Uiso 0.0103(4) 2 O O10 0.5377(10) 0.1491(5) 0.6384(14) 1.0 Uiso 0.0103(4) 2 O O11 0.8379(11) 0.2097(5) 0.5051(13) 1.0 Uiso 0.0103(4) 2 O O12 0.9022(10) 0.1014(5) 0.8015(12) 1.0 Uiso 0.0103(4) 2 O O13 0.2574(12) 0.4402(5) 0.8034(12) 1.0 Uiso 0.0103(4) 2 O O14 0.2644(11) 0.4186(4) 0.4434(12) 1.0 Uiso 0.0103(4) 2 O O15 0.5580(9) 0.4626(5) 0.7056(12) 1.0 Uiso 0.0103(4) 2 O O16 0.1957(10) 0.2057(5) 0.5091(13) 1.0 Uiso 0.0103(4) 2 O O17 0.2667(13) 0.1037(5) 0.7983(13) 1.0 Uiso 0.0103(4) 2 O O18 0.2563(12) 0.0589(5) 0.4583(11) 1.0 Uiso 0.0103(4) 2 O O19 0.0814(15) 0.3007(5) 0.7290(11) 1.0 Uiso 0.0103(4) 2 O O20 0.9692(12) 0.3187(5) 0.3350(14) 1.0 Uiso 0.0103(4) 2 O O21 0.9009(12) 0.4703(4) 0.2210(13) 1.0 Uiso 0.0103(4) 2 O O22 0.1730(12) 0.0580(5) 0.0929(9) 1.0 Uiso 0.0103(4) 2 O O23 0.1237(13) 0.3681(5) 0.0606(9) 1.0 Uiso 0.0103(4) 2 O O24 0.9043(11) 0.4307(5) 0.7398(14) 1.0 Uiso 0.0103(4) 2 Ca CA25 0.6593(18) 0.2717(9) 0.1951(18) 1.0 Uiso 0.0249(33) 2 H H1W1 0.2344(22) 0.2542(11) 0.0645(29) 1.0 Uiso 0.0506(29) 2 O OW1 0.3486(17) 0.2215(7) 0.0894(17) 1.0 Uiso 0.0506(29) 2 H H2W1 0.334(4) 0.1815(9) -0.0117(23) 1.0 Uiso 0.0506(29) 2 O OW2 0.6344(20) 0.2977(6) 0.8788(15) 1.0 Uiso 0.0529(33) 2 H H1W2 0.3640(33) 0.8429(9) 0.2056(24) 1.0 Uiso 0.0529(33) 2 H H2W2 0.6202(29) 0.2631(11) 0.7667(23) 1.0 Uiso 0.0529(33) 2 O OW3 0.7582(17) 0.1517(6) 0.1028(14) 1.0 Uiso 0.0269(22) 2 O OW4 0.5685(16) 0.4013(6) 0.1625(19) 1.0 Uiso 0.0517(28) 2 H H1W5 0.4534(27) 0.3527(8) 0.4431(28) 1.0 Uiso 0.0472(27) 2 H H1W3 0.7977(26) 0.1303(9) -0.0071(20) 1.0 Uiso 0.0269(22) 2 H H2W3 0.7627(24) 0.1073(8) 0.1908(20) 1.0 Uiso 0.0269(22) 2 H H2W5 0.4300(23) 0.2605(9) 0.4839(29) 1.0 Uiso 0.0472(27) 2 O OW5 0.5156(15) 0.3012(6) 0.4596(19) 1.0 Uiso 0.0472(27) 2 H H1W4 0.6767(24) 0.4375(10) 0.1989(34) 1.0 Uiso 0.0517(28) 2 H H2W4 0.4580(22) 0.4241(11) 0.0688(24) 1.0 Uiso 0.0517(28) 2 loop_ _atom_type_symbol _atom_type_number_in_cell Si 12.0 Al 4.0 O 42.0 Ca 2.0 H 20.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Al2 Ca H10 O21 Si6" _chemical_formula_weight 608.62 _cell_formula_units_Z 2 # 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 SI1 O9 1.6264(29) . 2_656 N SI1 O13 1.6252(29) . 1_555 N SI1 O14 1.6267(29) . 1_555 N SI1 O15 1.6271(29) . 1_555 N SI2 O10 1.6264(29) . 1_555 N SI2 O16 1.6286(29) . 1_555 N SI2 O17 1.6257(29) . 1_555 N SI2 O18 1.6276(29) . 1_555 N SI3 AL8 3.104(8) . 1_555 N SI3 O11 1.6257(29) . 1_455 N SI3 O16 1.6300(29) . 1_555 N SI3 O19 1.6267(29) . 1_555 N SI3 O20 1.6288(29) . 1_455 N SI3 CA25 3.078(14) . 1_455 N SI4 AL7 3.104(7) . 1_455 N SI4 AL8 3.069(8) . 2_546 N SI4 O12 1.6277(29) . 1_455 N SI4 O17 1.6268(29) . 1_555 N SI4 O21 1.6287(29) . 2_646 N SI4 O22 1.6289(29) . 1_556 N SI5 O13 1.6244(29) . 1_555 N SI5 O19 1.6246(29) . 1_555 N SI5 O23 1.6250(29) . 1_556 N SI5 O24 1.6229(29) . 1_455 N SI6 O15 1.6263(29) . 2_646 N SI6 O18 1.6257(29) . 1_555 N SI6 O22 1.6275(29) . 1_555 N SI6 O24 1.6243(29) . 2_646 N AL7 SI4 3.104(7) . 1_655 N AL7 O9 1.7243(29) . 1_555 N AL7 O10 1.7237(29) . 1_555 N AL7 O11 1.7242(29) . 1_555 N AL7 O12 1.7224(29) . 1_555 N AL7 CA25 3.718(16) . 1_555 N AL8 SI3 3.104(8) . 1_555 N AL8 SI4 3.069(8) . 2_556 N AL8 O14 1.7208(29) . 1_555 N AL8 O20 1.7222(30) . 1_455 N AL8 O21 1.7229(29) . 1_455 N AL8 O23 1.7218(29) . 1_555 N AL8 CA25 3.680(17) . 1_455 N O9 SI1 1.6264(29) . 2_646 N O9 AL7 1.7243(29) . 1_555 N O9 H2W3 1.875(16) . 1_555 N O10 SI2 1.6264(29) . 1_555 N O10 AL7 1.7237(29) . 1_555 N O11 SI3 1.6257(29) . 1_655 N O11 AL7 1.7242(29) . 1_555 N O11 CA25 2.536(15) . 1_555 N O12 SI4 1.6277(29) . 1_655 N O12 AL7 1.7224(29) . 1_555 N O12 H1W3 1.841(13) . 1_556 N O13 SI1 1.6252(29) . 1_555 N O13 SI5 1.6244(29) . 1_555 N O14 SI1 1.6267(29) . 1_555 N O14 AL8 1.7208(29) . 1_555 N O14 H1W5 1.814(16) . 1_555 N O15 SI1 1.6271(29) . 1_555 N O15 SI6 1.6263(29) . 2_656 N O16 SI2 1.6286(29) . 1_555 N O16 SI3 1.6300(29) . 1_555 N O16 H2W5 2.038(14) . 1_555 N O17 SI2 1.6257(29) . 1_555 N O17 SI4 1.6268(29) . 1_555 N O17 H2W1 1.906(14) . 1_556 N O18 SI2 1.6276(29) . 1_555 N O18 SI6 1.6257(29) . 1_555 N O19 SI3 1.6267(29) . 1_555 N O19 SI5 1.6246(29) . 1_555 N O20 SI3 1.6288(29) . 1_655 N O20 AL8 1.7222(30) . 1_655 N O20 CA25 2.399(15) . 1_555 N O21 SI4 1.6287(29) . 2_656 N O21 AL8 1.7229(29) . 1_655 N O21 H1W4 1.728(17) . 1_555 N O22 SI4 1.6289(29) . 1_554 N O22 SI6 1.6275(29) . 1_555 N O23 SI5 1.6250(29) . 1_554 N O23 AL8 1.7218(29) . 1_555 N O24 SI5 1.6229(29) . 1_655 N O24 SI6 1.6243(29) . 2_656 N CA25 SI3 3.078(14) . 1_655 N CA25 AL7 3.718(16) . 1_555 N CA25 AL8 3.680(17) . 1_655 N CA25 O11 2.536(15) . 1_555 N CA25 O20 2.399(15) . 1_555 N CA25 H1W1 3.060(22) . 1_555 N CA25 OW1 2.396(19) . 1_555 N CA25 H2W1 2.938(26) . 1_555 N CA25 OW2 2.309(16) . 1_554 N CA25 H1W2 3.136(20) . 2_645 N CA25 H2W2 3.064(19) . 1_554 N CA25 OW3 2.371(17) . 1_555 N CA25 OW4 2.347(19) . 1_555 N CA25 H1W5 3.015(22) . 1_555 N CA25 H2W3 2.965(21) . 1_555 N CA25 H2W5 3.052(21) . 1_555 N CA25 OW5 2.497(18) . 1_555 N CA25 H1W4 2.888(24) . 1_555 N CA25 H2W4 3.062(23) . 1_555 N H1W1 CA25 3.060(22) . 1_555 N H1W1 OW1 0.9975(30) . 1_555 N H1W1 H2W1 1.636(18) . 1_555 N OW1 CA25 2.396(19) . 1_555 N OW1 H1W1 0.9975(30) . 1_555 N OW1 H2W1 0.9982(30) . 1_555 N H2W1 O17 1.906(14) . 1_554 N H2W1 CA25 2.938(26) . 1_555 N H2W1 H1W1 1.636(18) . 1_555 N H2W1 OW1 0.9982(30) . 1_555 N OW2 CA25 2.309(16) . 1_556 N OW2 H1W2 1.0000(30) . 2_646 N OW2 H2W2 0.9991(30) . 1_555 N H1W2 CA25 3.136(20) . 2_655 N H1W2 OW2 1.0000(30) . 2_656 N H1W2 H2W2 1.403(22) . 2_656 N H2W2 CA25 3.064(19) . 1_556 N H2W2 OW2 0.9991(30) . 1_555 N H2W2 H1W2 1.403(22) . 2_646 N OW3 CA25 2.371(17) . 1_555 N OW3 H1W3 0.9977(30) . 1_555 N OW3 H2W3 0.9990(30) . 1_555 N OW4 CA25 2.347(19) . 1_555 N OW4 H1W4 1.0002(30) . 1_555 N OW4 H2W4 0.9990(30) . 1_555 N H1W5 O14 1.814(16) . 1_555 N H1W5 CA25 3.015(22) . 1_555 N H1W5 H2W5 1.648(18) . 1_555 N H1W5 OW5 0.9998(30) . 1_555 N H1W3 O12 1.841(13) . 1_554 N H1W3 OW3 0.9977(30) . 1_555 N H1W3 H2W3 1.585(15) . 1_555 N H2W3 O9 1.875(16) . 1_555 N H2W3 CA25 2.965(21) . 1_555 N H2W3 OW3 0.9990(30) . 1_555 N H2W3 H1W3 1.585(15) . 1_555 N H2W5 O16 2.038(14) . 1_555 N H2W5 CA25 3.052(21) . 1_555 N H2W5 H1W5 1.648(18) . 1_555 N H2W5 OW5 0.9996(30) . 1_555 N OW5 CA25 2.497(18) . 1_555 N OW5 H1W5 0.9998(30) . 1_555 N OW5 H2W5 0.9996(30) . 1_555 N H1W4 O21 1.728(17) . 1_555 N H1W4 CA25 2.888(24) . 1_555 N H1W4 OW4 1.0002(30) . 1_555 N H1W4 H2W4 1.664(18) . 1_555 N H2W4 CA25 3.062(23) . 1_555 N H2W4 OW4 0.9990(30) . 1_555 N H2W4 H1W4 1.664(18) . 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 O9 SI1 O13 111.7(6) 2_656 . 1_555 N O9 SI1 O14 114.5(6) 2_656 . 1_555 N O9 SI1 O15 110.1(6) 2_656 . 1_555 N O13 SI1 O14 110.2(6) 1_555 . 1_555 N O13 SI1 O15 103.4(5) 1_555 . 1_555 N O14 SI1 O15 106.2(5) 1_555 . 1_555 N O10 SI2 O16 109.2(5) 1_555 . 1_555 N O10 SI2 O17 112.5(5) 1_555 . 1_555 N O10 SI2 O18 109.8(6) 1_555 . 1_555 N O16 SI2 O17 112.1(7) 1_555 . 1_555 N O16 SI2 O18 108.1(7) 1_555 . 1_555 N O17 SI2 O18 105.0(6) 1_555 . 1_555 N O11 SI3 O16 109.2(7) 1_455 . 1_555 N O11 SI3 O19 107.3(7) 1_455 . 1_555 N O11 SI3 O20 105.9(6) 1_455 . 1_455 N O11 SI3 CA25 55.4(4) 1_455 . 1_455 N O16 SI3 O19 106.0(6) 1_555 . 1_555 N O16 SI3 O20 110.5(6) 1_555 . 1_455 N O16 SI3 CA25 122.8(5) 1_555 . 1_455 N O19 SI3 O20 117.8(7) 1_555 . 1_455 N O19 SI3 CA25 131.1(5) 1_555 . 1_455 N O20 SI3 CA25 50.5(5) 1_455 . 1_455 N O12 SI4 O17 113.2(7) 1_455 . 1_555 N O12 SI4 O21 114.5(6) 1_455 . 2_646 N O12 SI4 O22 106.9(6) 1_455 . 1_556 N O17 SI4 O21 107.2(6) 1_555 . 2_646 N O17 SI4 O22 103.5(6) 1_555 . 1_556 N O21 SI4 O22 110.9(7) 2_646 . 1_556 N O13 SI5 O19 115.1(7) 1_555 . 1_555 N O13 SI5 O23 110.0(6) 1_555 . 1_556 N O13 SI5 O24 103.3(6) 1_555 . 1_455 N O19 SI5 O23 108.1(5) 1_555 . 1_556 N O19 SI5 O24 108.2(6) 1_555 . 1_455 N O23 SI5 O24 112.3(7) 1_556 . 1_455 N O15 SI6 O18 109.3(7) 2_646 . 1_555 N O15 SI6 O22 112.7(6) 2_646 . 1_555 N O15 SI6 O24 105.1(5) 2_646 . 2_646 N O18 SI6 O22 104.4(6) 1_555 . 1_555 N O18 SI6 O24 115.6(6) 1_555 . 2_646 N O22 SI6 O24 110.1(7) 1_555 . 2_646 N O9 AL7 O10 110.1(6) 1_555 . 1_555 N O9 AL7 O11 103.9(5) 1_555 . 1_555 N O9 AL7 O12 114.0(6) 1_555 . 1_555 N O10 AL7 O11 112.4(5) 1_555 . 1_555 N O10 AL7 O12 107.4(6) 1_555 . 1_555 N O11 AL7 O12 109.2(6) 1_555 . 1_555 N O14 AL8 O20 105.7(6) 1_555 . 1_455 N O14 AL8 O21 114.5(6) 1_555 . 1_455 N O14 AL8 O23 111.4(6) 1_555 . 1_555 N O20 AL8 O21 107.1(5) 1_455 . 1_455 N O20 AL8 O23 103.4(6) 1_455 . 1_555 N O21 AL8 O23 113.7(6) 1_455 . 1_555 N SI1 O9 AL7 139.4(7) 2_646 . 1_555 N SI2 O10 AL7 150.3(6) 1_555 . 1_555 N SI3 O11 AL7 145.7(7) 1_655 . 1_555 N SI3 O11 CA25 92.8(5) 1_655 . 1_555 N AL7 O11 CA25 120.4(5) 1_555 . 1_555 N SI4 O12 AL7 135.8(6) 1_655 . 1_555 N SI1 O13 SI5 138.9(7) 1_555 . 1_555 N SI1 O14 AL8 140.1(6) 1_555 . 1_555 N SI1 O15 SI6 145.2(7) 1_555 . 2_656 N SI2 O16 SI3 144.2(7) 1_555 . 1_555 N SI2 O17 SI4 138.9(7) 1_555 . 1_555 N SI2 O18 SI6 161.1(8) 1_555 . 1_555 N SI3 O19 SI5 141.7(7) 1_555 . 1_555 N SI3 O20 AL8 135.7(7) 1_655 . 1_655 N SI3 O20 CA25 97.9(6) 1_655 . 1_555 N AL8 O20 CA25 125.7(6) 1_655 . 1_555 N SI4 O21 AL8 132.6(6) 2_656 . 1_655 N SI4 O22 SI6 142.9(7) 1_554 . 1_555 N SI5 O23 AL8 145.1(7) 1_554 . 1_555 N SI5 O24 SI6 154.6(8) 1_655 . 2_656 N SI3 CA25 O11 31.83(18) 1_655 . 1_555 N SI3 CA25 O20 31.61(20) 1_655 . 1_555 N SI3 CA25 OW1 142.9(8) 1_655 . 1_555 N SI3 CA25 OW2 126.5(7) 1_655 . 1_554 N SI3 CA25 OW3 83.8(5) 1_655 . 1_555 N SI3 CA25 OW4 107.6(5) 1_655 . 1_555 N SI3 CA25 OW5 83.6(5) 1_655 . 1_555 N O11 CA25 O20 63.4(4) 1_555 . 1_555 N O11 CA25 OW1 111.1(7) 1_555 . 1_555 N O11 CA25 OW2 148.9(8) 1_555 . 1_554 N O11 CA25 OW3 75.5(5) 1_555 . 1_555 N O11 CA25 OW4 124.5(6) 1_555 . 1_555 N O11 CA25 OW5 68.2(5) 1_555 . 1_555 N O20 CA25 OW1 173.8(8) 1_555 . 1_555 N O20 CA25 OW2 99.7(7) 1_555 . 1_554 N O20 CA25 OW3 94.9(6) 1_555 . 1_555 N O20 CA25 OW4 86.2(6) 1_555 . 1_555 N O20 CA25 OW5 99.4(6) 1_555 . 1_555 N OW1 CA25 OW2 86.5(7) 1_555 . 1_554 N OW1 CA25 OW3 86.2(6) 1_555 . 1_555 N OW1 CA25 OW4 95.3(6) 1_555 . 1_555 N OW1 CA25 OW5 75.4(5) 1_555 . 1_555 N OW2 CA25 OW3 80.6(5) 1_554 . 1_555 N OW2 CA25 OW4 76.5(7) 1_554 . 1_555 N OW2 CA25 OW5 142.7(8) 1_554 . 1_555 N OW3 CA25 OW4 156.9(8) 1_555 . 1_555 N OW3 CA25 OW5 129.1(8) 1_555 . 1_555 N OW4 CA25 OW5 73.1(6) 1_555 . 1_555 N CA25 OW1 H1W1 123.4(15) 1_555 . 1_555 N CA25 OW1 H2W1 113.3(17) 1_555 . 1_555 N H1W1 OW1 H2W1 110.1(18) 1_555 . 1_555 N CA25 OW2 H1W2 139.3(14) 1_556 . 2_646 N CA25 OW2 H2W2 131.5(15) 1_556 . 1_555 N H1W2 OW2 H2W2 89.2(17) 2_646 . 1_555 N OW2 H1W2 H2W2 45.4(9) 2_656 . 2_656 N OW2 H2W2 H1W2 45.4(9) 1_555 . 2_646 N CA25 OW3 H1W3 137.6(11) 1_555 . 1_555 N CA25 OW3 H2W3 117.3(11) 1_555 . 1_555 N H1W3 OW3 H2W3 105.1(14) 1_555 . 1_555 N CA25 OW4 H1W4 113.0(13) 1_555 . 1_555 N CA25 OW4 H2W4 127.8(14) 1_555 . 1_555 N H1W4 OW4 H2W4 112.7(18) 1_555 . 1_555 N CA25 OW5 H1W5 111.8(14) 1_555 . 1_555 N CA25 OW5 H2W5 114.6(13) 1_555 . 1_555 N H1W5 OW5 H2W5 111.0(18) 1_555 . 1_555 N # Information for phase 2 data_PUBLICATIONCONSTRAIN_phase_2 _pd_block_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase2|Paul_Henry|| # Histograms for phase 2 loop_ _pd_block_diffractogram_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_01|Paul_Henry|D20 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_02|Paul_Henry|D20 #============================================================================== # 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 "quartz, low" _cell_length_a 4.9115(4) _cell_length_b 4.9115 _cell_length_c 5.4038(8) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_volume 112.892(17) _symmetry_cell_setting trigonal _symmetry_space_group_name_H-M "P32 2 1" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -y,x-y,+z+2/3 3 y-x,-x,+z+1/3 4 +y,+x,-z 5 -x,y-x,-z+2/3 6 x-y,-y,-z+1/3 # 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 Si SI1 0.4697 0.0 0.16667 1.0 Uiso 0.025 3 O O2 0.4133 0.2672 0.2855 1.0 Uiso 0.025 6 loop_ _atom_type_symbol _atom_type_number_in_cell Si 3.0 O 6.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "O2 Si" _chemical_formula_weight 60.08 _cell_formula_units_Z 3 # 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 SI1 O2 1.60466(12) . 1_555 N SI1 O2 1.61277(14) . 2_654 N SI1 O2 1.61277(14) . 5_655 N SI1 O2 1.60466(12) . 6_555 N O2 SI1 1.60466(12) . 1_555 N O2 SI1 1.61277(14) . 3_665 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 O2 SI1 O2 110.5660(35) 1_555 . 2_654 N O2 SI1 O2 108.777(8) 1_555 . 5_655 N O2 SI1 O2 108.8803(22) 1_555 . 6_555 N O2 SI1 O2 109.270(7) 2_654 . 5_655 N O2 SI1 O2 108.778(8) 2_654 . 6_555 N O2 SI1 O2 110.5658(35) 5_655 . 6_555 N SI1 O2 SI1 143.5960(5) 1_555 . 3_665 N # Powder diffraction data for histogram 1 data_PUBLICATIONCONSTRAIN_p_01 _pd_block_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_01|Paul_Henry|D20 #============================================================================== # 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' # phase table loop_ _pd_phase_id _pd_phase_block_id _pd_phase_mass_% _pd_proc_ls_profile_function _pd_proc_ls_peak_cutoff 1 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase1|Paul_Henry|| 95.55 ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 482.176 #2(GV) = -884.710 #3(GW) = 606.951 #4(LX) = 7.196 #5(LY) = 0.000 #6(trns) = 0.000 #7(asym) = 0.0000 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.01000 2 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase2|Paul_Henry|| 4.45(9) ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 470.851 #2(GV) = -850.981 #3(GW) = 497.748 #4(LX) = 7.456 #5(LY) = 0.000 #6(trns) = 0.000 #7(asym) = 7.5995 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.01000 loop_ _atom_type_symbol _atom_type_scat_length_neutron _atom_type_scat_source Si 0.4151 International_Tables_Vol_C Al 0.3449 International_Tables_Vol_C O 0.5805 International_Tables_Vol_C Ca 0.4700 International_Tables_Vol_C H -0.3741 International_Tables_Vol_C _diffrn_radiation_probe neutron _diffrn_radiation_wavelength 1.8678 _pd_proc_ls_prof_R_factor 0.0050 _pd_proc_ls_prof_wR_factor 0.0066 _pd_proc_ls_prof_wR_expected 0.0017 _refine_ls_R_Fsqd_factor 0.03009 _pd_proc_ls_background_function ; GSAS Background function number 1 with 6 terms. Shifted Chebyshev function of 1st kind 1: 311883. 2: -90168.1 3: 4272.26 4: 2732.52 5: -762.726 6: -402.403 ; _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_info_datetime 2007-12-17T17:50:22 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 0.05 _pd_meas_2theta_range_max 157.25 _pd_meas_2theta_range_inc 0.1 _pd_proc_2theta_range_min 0.0158 _pd_proc_2theta_range_max 157.2158 _pd_proc_2theta_range_inc 0.1 loop_ _pd_meas_intensity_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 68210(270) . . . 63890(260) . . . 59570(250) . . . 55240(240) . . . 50920(230) . . . 46600(220) . . . 42270(210) . . . 37950(200) . . . 33630(190) . . . 28450(170) . . . 23280(160) . . . 18480(140) . . . 14180(120) . . . 10790(100) . . . 9010(95) . . . 8476(92) . . . 7872(88) . . . 7637(88) . . . 7356(85) . . . 7320(85) . . . 7187(84) . . . 7110(84) . . . 6973(83) . . . 6884(83) . . . 6754(82) . . . 6813(82) . . . 6720(82) . . . 6489(81) . . . 6709(82) . . . 6692(81) . . . 6659(84) . . . 6482(80) . . . 6369(80) . . . 6223(79) . . . 6452(81) . . . 6667(83) . . . 6611(84) . . . 6586(83) . . . 6367(81) . . . 6639(82) . . . 6728(82) . . . 7204(85) . . . 7511(87) . . . 8029(90) . . . 8193(91) . . . 8171(91) . . . 8024(90) . . . 7854(89) . . . 8039(90) . . . 7886(89) . . . 7822(89) . . . 8055(91) . . . 8161(91) . . . 8399(92) . . . 8637(94) . . . 9052(96) . . . 9691(99) . . . 17840(130) . . . 39880(200) . . . 70250(260) . . . 104100(330) . . . 138820(370) . . . 174950(420) . . . 211050(460) . . . 247370(500) . . . 282130(540) . . . 315460(570) . . . 346920(600) . . . 370440(630) . . . 392030(640) . . . 396730(640) . . . 397880(640) . . . 398250(640) . . . 398120(640) . . . 397950(630) . . . 397200(640) . . . 398090(640) . . . 398890(630) . . . 399160(630) . . . 398760(640) . . . 399970(630) . . . 398650(630) . . . 399690(640) . . . 399020(630) . . . 399280(630) . . . 399280(630) . . . 399140(640) . . . 399410(630) . . . 399780(630) . . . 398810(640) . . . 399380(630) . . . 399200(630) . . . 400310(630) . . . 398950(630) . . . 399510(630) . . . 398810(630) . . . 399360(630) . . . 399520(640) . . . 398120(640) . . . 399040(640) . . . 398810(650) 2.381e-6 403231. 403231. 398280(650) 2.381e-6 403107. 403107. 399310(640) 2.426e-6 402982. 402983. 398440(630) 2.488e-6 402858. 402859. 397580(640) 2.472e-6 402734. 402734. 398800(640) 2.464e-6 402610. 402610. 397980(630) 2.496e-6 402485. 402486. 399360(640) 2.464e-6 402361. 402361. 399160(640) 2.480e-6 402237. 402237. 400060(630) 2.488e-6 402112. 402112. 400580(630) 2.488e-6 401987. 401988. 399200(630) 2.488e-6 401863. 402170. 400610(630) 2.496e-6 401738. 402100. 400390(630) 2.504e-6 401613. 402051. 402460(640) 2.464e-6 401488. 402050. 404850(640) 2.464e-6 401363. 402179. 406080(640) 2.464e-6 401238. 402670. 408170(640) 2.449e-6 401113. 404045. 410020(640) 2.434e-6 400987. 407214. 419650(650) 2.389e-6 400862. 413245. 424830(650) 2.360e-6 400737. 422600. 433830(660) 2.317e-6 400611. 434085. 441710(660) 2.268e-6 400486. 444384. 445820(670) 2.255e-6 400360. 449089. 442830(660) 2.268e-6 400234. 445633. 434350(660) 2.303e-6 400109. 435825. 419510(650) 2.381e-6 399983. 424000. 410630(640) 2.457e-6 399857. 413822. 402900(640) 2.472e-6 399731. 406895. 396720(630) 2.528e-6 399605. 403000. 398420(630) 2.512e-6 399478. 401109. 397680(640) 2.472e-6 399352. 400248. 396950(640) 2.419e-6 399226. 399822. 398660(640) 2.411e-6 399099. 399557. 400680(640) 2.472e-6 398973. 399348. 400850(630) 2.504e-6 398846. 398846. 401280(630) 2.512e-6 398720. 398720. 404460(630) 2.504e-6 398593. 398593. 405920(640) 2.472e-6 398466. 399257. 406800(630) 2.488e-6 398339. 399279. 406240(640) 2.480e-6 398212. 399365. 405890(630) 2.520e-6 398085. 400250. 408310(630) 2.496e-6 397958. 401050. 414770(640) 2.457e-6 397830. 403102. 423220(640) 2.441e-6 397703. 408113. 435760(650) 2.360e-6 397576. 418903. 452050(700) 2.035e-6 397448. 438639. 478030(680) 2.169e-6 397320. 468717. 509080(710) 2.006e-6 397193. 506233. 541250(730) 1.871e-6 397065. 543028. 564620(750) 1.764e-6 396937. 568322. 574620(760) 1.731e-6 396809. 575273. 564230(750) 1.764e-6 396681. 564011. 535120(730) 1.856e-6 396553. 537487. 499920(710) 1.978e-6 396425. 501858. 463380(680) 2.137e-6 396296. 466301. 434140(660) 2.296e-6 396168. 437853. 415740(650) 2.360e-6 396040. 419304. 406330(640) 2.426e-6 395911. 409889. 404530(640) 2.449e-6 395782. 407083. 406570(640) 2.434e-6 395654. 408160. 410120(650) 2.396e-6 395525. 409968. 413390(640) 2.419e-6 395396. 412437. 414050(650) 2.381e-6 395267. 413342. 413590(660) 2.303e-6 395138. 411692. 410050(650) 2.338e-6 395008. 409121. 406970(650) 2.396e-6 394879. 405489. 404730(640) 2.457e-6 394750. 401777. 399720(640) 2.464e-6 394620. 398741. 397120(630) 2.544e-6 394491. 396661. 395010(630) 2.504e-6 394361. 395432. 395670(630) 2.536e-6 394231. 394796. 392660(630) 2.528e-6 394101. 394442. 393920(620) 2.585e-6 393971. 394220. 393490(620) 2.593e-6 393841. 393983. 391790(640) 2.441e-6 393711. 393852. 393250(620) 2.601e-6 393581. 393688. 393690(620) 2.576e-6 393451. 393668. 394920(630) 2.536e-6 393320. 393793. 393230(630) 2.544e-6 393190. 394164. 393850(620) 2.576e-6 393059. 394838. 394800(630) 2.560e-6 392928. 395721. 396260(630) 2.544e-6 392797. 396837. 397450(630) 2.528e-6 392667. 397543. 396450(640) 2.457e-6 392536. 397246. 397980(610) 2.679e-6 392405. 396804. 398240(640) 2.441e-6 392273. 396269. 400010(630) 2.512e-6 392142. 396763. 405020(640) 2.472e-6 392011. 399615. 412460(640) 2.441e-6 391879. 406862. 425770(660) 2.317e-6 391748. 420829. 446500(670) 2.255e-6 391616. 442556. 470280(690) 2.094e-6 391484. 469662. 492410(700) 2.023e-6 391352. 495431. 508120(720) 1.940e-6 391220. 511169. 511130(720) 1.934e-6 391088. 511734. 498690(720) 1.924e-6 390956. 498461. 473710(710) 2.001e-6 390824. 476094. 448120(680) 2.188e-6 390692. 450670. 423690(650) 2.360e-6 390559. 428034. 406860(640) 2.441e-6 390427. 411393. 396930(630) 2.512e-6 390294. 401039. 392570(630) 2.544e-6 390161. 395504. 391030(620) 2.576e-6 390028. 392877. 389060(620) 2.568e-6 389895. 391679. 389970(630) 2.560e-6 389762. 390769. 390270(620) 2.585e-6 389629. 390089. 389010(620) 2.576e-6 389496. 389870. 388960(620) 2.585e-6 389363. 389362. 389210(620) 2.610e-6 389229. 389981. 390220(630) 2.560e-6 389096. 389980. 389990(620) 2.568e-6 388962. 390020. 390260(620) 2.593e-6 388828. 390134. 391520(620) 2.568e-6 388694. 390434. 392640(630) 2.544e-6 388561. 391282. 396980(630) 2.536e-6 388426. 393672. 403180(630) 2.504e-6 388292. 399738. 414580(640) 2.426e-6 388158. 412721. 435830(660) 2.296e-6 388024. 435300. 464040(680) 2.175e-6 387889. 466139. 491870(700) 2.053e-6 387755. 497051. 509900(710) 1.962e-6 387620. 514543. 506100(710) 1.978e-6 387485. 508438. 485920(700) 2.064e-6 387351. 482416. 452250(670) 2.208e-6 387216. 449804. 420680(650) 2.367e-6 387081. 422121. 400410(640) 2.464e-6 386945. 404085. 391870(630) 2.512e-6 386810. 395218. 389410(640) 2.426e-6 386675. 391120. 388570(650) 2.381e-6 386539. 390393. 387950(610) 2.687e-6 386404. 390044. 389680(640) 2.449e-6 386268. 390194. 393460(630) 2.504e-6 386132. 391086. 395620(630) 2.504e-6 385997. 392951. 403960(640) 2.457e-6 385861. 399985. 419820(650) 2.367e-6 385725. 415378. 448510(680) 2.195e-6 385588. 443827. 486780(700) 2.018e-6 385452. 487134. 537060(720) 1.951e-6 385316. 539759. 584800(760) 1.718e-6 385179. 586754. 612800(810) 1.509e-6 385043. 610055. 605410(760) 1.713e-6 384906. 599386. 563520(750) 1.797e-6 384769. 558414. 507900(720) 1.951e-6 384633. 504546. 454270(670) 2.228e-6 384496. 456050. 417180(650) 2.404e-6 384359. 422349. 397020(630) 2.536e-6 384221. 403691. 389970(620) 2.568e-6 384084. 395555. 387630(620) 2.610e-6 383947. 393025. 388740(620) 2.585e-6 383809. 392803. 390410(630) 2.560e-6 383672. 393475. 391610(620) 2.593e-6 383534. 393284. 391600(630) 2.560e-6 383396. 393426. 391330(620) 2.576e-6 383258. 391932. 391270(620) 2.568e-6 383120. 390316. 389720(630) 2.552e-6 382982. 388480. 387950(620) 2.601e-6 382844. 387691. 388420(620) 2.568e-6 382706. 389300. 393550(630) 2.536e-6 382567. 394356. 402050(640) 2.480e-6 382429. 402916. 412140(650) 2.345e-6 382290. 413041. 420950(660) 2.296e-6 382152. 420730. 423610(650) 2.352e-6 382013. 421390. 416360(640) 2.441e-6 381874. 414627. 405960(640) 2.480e-6 381735. 404307. 393600(630) 2.560e-6 381596. 394756. 386670(620) 2.635e-6 381456. 388376. 383560(620) 2.627e-6 381317. 385374. 382920(620) 2.618e-6 381178. 385128. 386420(620) 2.635e-6 381038. 387076. 388580(620) 2.593e-6 380899. 390637. 393050(630) 2.560e-6 380759. 394631. 396870(630) 2.536e-6 380619. 397147. 395220(620) 2.568e-6 380479. 396275. 394110(630) 2.544e-6 380339. 392849. 389760(620) 2.585e-6 380199. 388396. 386770(620) 2.618e-6 380059. 384579. 384530(620) 2.627e-6 379918. 382082. 381940(610) 2.661e-6 379778. 380744. 381670(620) 2.627e-6 379638. 380136. 381200(610) 2.670e-6 379497. 379810. 379410(610) 2.696e-6 379356. 379726. 379980(610) 2.653e-6 379215. 379582. 378120(610) 2.705e-6 379074. 379471. 379320(610) 2.679e-6 378933. 379312. 378370(610) 2.679e-6 378792. 379423. 379220(610) 2.679e-6 378651. 379913. 381380(610) 2.670e-6 378510. 381233. 383760(620) 2.627e-6 378368. 384095. 388430(620) 2.601e-6 378227. 388644. 393430(620) 2.568e-6 378085. 394478. 397990(630) 2.504e-6 377943. 399712. 399340(640) 2.434e-6 377801. 401959. 398120(640) 2.434e-6 377660. 399910. 394210(630) 2.528e-6 377517. 394780. 388220(620) 2.601e-6 377375. 389779. 384430(620) 2.635e-6 377233. 387239. 386740(620) 2.593e-6 377091. 388454. 390310(620) 2.618e-6 376948. 392831. 395710(620) 2.585e-6 376806. 398243. 401220(630) 2.536e-6 376663. 402074. 404100(630) 2.528e-6 376520. 402976. 405190(630) 2.520e-6 376378. 402368. 404460(630) 2.536e-6 376235. 403044. 407310(630) 2.496e-6 376092. 407265. 413300(640) 2.480e-6 375948. 415693. 422010(640) 2.419e-6 375805. 426184. 432820(650) 2.352e-6 375662. 435124. 436060(650) 2.345e-6 375518. 439400. 434970(650) 2.352e-6 375375. 437271. 427470(650) 2.367e-6 375231. 428691. 416540(640) 2.441e-6 375088. 416018. 404800(630) 2.496e-6 374944. 403026. 392780(620) 2.601e-6 374800. 393017. 386190(620) 2.610e-6 374656. 386994. 383920(620) 2.618e-6 374512. 383114. 382910(620) 2.627e-6 374368. 380817. 378940(620) 2.644e-6 374223. 379040. 378040(610) 2.653e-6 374079. 378093. 378130(620) 2.635e-6 373934. 378871. 381160(620) 2.601e-6 373790. 382638. 388020(630) 2.544e-6 373645. 392414. 401760(640) 2.449e-6 373500. 408841. 421780(650) 2.345e-6 373355. 429952. 439830(680) 2.182e-6 373210. 448885. 456590(690) 2.100e-6 373065. 459819. 469820(700) 2.064e-6 372920. 463317. 466950(690) 2.113e-6 372775. 461562. 458730(680) 2.156e-6 372629. 454216. 445380(670) 2.241e-6 372484. 442999. 432760(660) 2.317e-6 372338. 432999. 426750(660) 2.331e-6 372193. 428005. 428420(660) 2.317e-6 372047. 427092. 428610(650) 2.352e-6 371901. 424597. 420690(650) 2.381e-6 371755. 415868. 405800(640) 2.472e-6 371609. 402765. 390490(620) 2.576e-6 371463. 390058. 380020(610) 2.670e-6 371317. 380909. 375660(610) 2.670e-6 371170. 375930. 373540(610) 2.696e-6 371024. 373330. 374100(610) 2.696e-6 370878. 372514. 374630(610) 2.705e-6 370731. 372278. 374680(610) 2.705e-6 370584. 372790. 376790(610) 2.670e-6 370438. 374626. 379240(610) 2.679e-6 370291. 378794. 387210(620) 2.618e-6 370144. 386492. 399160(630) 2.528e-6 369997. 397577. 411160(640) 2.464e-6 369850. 409244. 419210(640) 2.419e-6 369702. 416299. 418330(640) 2.419e-6 369555. 414950. 410470(640) 2.441e-6 369407. 406611. 397990(630) 2.528e-6 369260. 396672. 389970(620) 2.568e-6 369112. 391414. 392620(630) 2.544e-6 368965. 394105. 402290(640) 2.464e-6 368817. 404592. 419300(650) 2.338e-6 368669. 419406. 435190(680) 2.195e-6 368521. 432884. 442380(680) 2.163e-6 368373. 439576. 441910(670) 2.221e-6 368225. 438208. 436320(670) 2.255e-6 368077. 433235. 428270(660) 2.310e-6 367928. 429240. 424560(650) 2.360e-6 367780. 427352. 422880(650) 2.338e-6 367631. 423215. 413590(650) 2.396e-6 367483. 412865. 398860(620) 2.568e-6 367334. 398722. 385500(620) 2.568e-6 367185. 385828. 377710(620) 2.644e-6 367036. 377394. 374100(610) 2.696e-6 366887. 373963. 375050(610) 2.696e-6 366738. 374825. 379130(610) 2.661e-6 366589. 378294. 382670(610) 2.661e-6 366440. 383070. 386540(620) 2.618e-6 366291. 386076. 387450(610) 2.653e-6 366141. 386032. 384110(610) 2.679e-6 365992. 384165. 381170(610) 2.670e-6 365842. 382761. 379880(610) 2.696e-6 365693. 382826. 379160(610) 2.723e-6 365543. 382678. 377240(610) 2.696e-6 365393. 380882. 374950(610) 2.714e-6 365243. 378086. 373670(600) 2.825e-6 365093. 376310. 375860(620) 2.585e-6 364943. 376843. 378490(610) 2.723e-6 364793. 379390. 382430(610) 2.687e-6 364643. 382174. 384830(610) 2.653e-6 364493. 384114. 386590(620) 2.610e-6 364342. 385642. 386200(620) 2.635e-6 364192. 386447. 384000(620) 2.610e-6 364041. 384976. 379860(620) 2.618e-6 363890. 380686. 376850(620) 2.593e-6 363740. 375891. 373200(620) 2.610e-6 363589. 373312. 374220(610) 2.653e-6 363438. 374498. 380640(610) 2.661e-6 363287. 379058. 386910(620) 2.601e-6 363136. 384685. 390370(620) 2.601e-6 362985. 388263. 390510(620) 2.585e-6 362834. 388438. 390800(620) 2.585e-6 362682. 387236. 390560(630) 2.560e-6 362531. 386589. 389760(620) 2.593e-6 362380. 386447. 387050(620) 2.585e-6 362228. 385336. 383370(620) 2.635e-6 362076. 382092. 375920(610) 2.661e-6 361925. 377273. 372120(610) 2.705e-6 361773. 372503. 367400(610) 2.723e-6 361621. 369556. 368180(610) 2.723e-6 361469. 369692. 372630(610) 2.687e-6 361317. 373341. 379130(610) 2.661e-6 361165. 379433. 385150(620) 2.585e-6 361013. 385197. 388780(620) 2.585e-6 360861. 386788. 385340(620) 2.610e-6 360708. 382870. 378500(620) 2.644e-6 360556. 375889. 370540(610) 2.714e-6 360403. 369100. 365250(600) 2.741e-6 360251. 364461. 361710(600) 2.796e-6 360098. 361991. 361170(600) 2.787e-6 359946. 361014. 362060(600) 2.778e-6 359793. 360615. 362930(600) 2.769e-6 359640. 360553. 362320(600) 2.778e-6 359487. 360572. 361890(600) 2.769e-6 359334. 360993. 361800(600) 2.787e-6 359181. 361983. 362950(610) 2.723e-6 359028. 363857. 364980(610) 2.653e-6 358875. 367017. 369680(620) 2.610e-6 358721. 371121. 372010(610) 2.653e-6 358568. 374626. 373280(610) 2.670e-6 358415. 375366. 370050(610) 2.705e-6 358261. 372438. 367390(600) 2.750e-6 358108. 367602. 363810(600) 2.759e-6 357954. 363178. 360510(600) 2.806e-6 357800. 360255. 359130(600) 2.806e-6 357647. 358798. 359100(600) 2.825e-6 357493. 358100. 357760(590) 2.844e-6 357339. 357758. 358890(600) 2.815e-6 357185. 357571. 357820(590) 2.834e-6 357031. 357364. 359530(590) 2.834e-6 356877. 357586. 358160(600) 2.825e-6 356722. 358531. 359710(600) 2.806e-6 356568. 360222. 362320(600) 2.806e-6 356414. 362791. 364750(600) 2.796e-6 356259. 365572. 365070(600) 2.778e-6 356105. 367196. 367100(600) 2.759e-6 355950. 367353. 367340(600) 2.759e-6 355796. 367351. 367300(600) 2.750e-6 355641. 369022. 370150(610) 2.714e-6 355486. 373036. 373170(610) 2.705e-6 355332. 377470. 375000(610) 2.696e-6 355177. 379543. 374950(610) 2.670e-6 355022. 378335. 373320(610) 2.687e-6 354867. 375367. 370880(610) 2.714e-6 354712. 371481. 370080(610) 2.696e-6 354557. 367953. 367340(610) 2.732e-6 354402. 366618. 367500(610) 2.732e-6 354246. 368499. 367860(610) 2.679e-6 354091. 371265. 368650(630) 2.552e-6 353936. 372307. 369110(600) 2.741e-6 353780. 371045. 368830(620) 2.610e-6 353625. 370177. 372620(610) 2.679e-6 353469. 372506. 379240(620) 2.601e-6 353314. 378272. 387090(620) 2.585e-6 353158. 385932. 393830(630) 2.544e-6 353002. 393142. 397460(630) 2.552e-6 352847. 398220. 399300(630) 2.504e-6 352691. 399653. 400900(630) 2.512e-6 352535. 398031. 400450(630) 2.528e-6 352379. 394920. 393060(630) 2.552e-6 352223. 390029. 387100(620) 2.618e-6 352067. 383943. 378210(610) 2.670e-6 351911. 378905. 372800(610) 2.696e-6 351755. 377561. 377240(610) 2.687e-6 351598. 383300. 389690(620) 2.593e-6 351442. 397076. 408870(640) 2.472e-6 351286. 413369. 420860(640) 2.419e-6 351129. 422598. 420800(640) 2.411e-6 350973. 417015. 404340(630) 2.504e-6 350816. 399961. 383820(620) 2.644e-6 350660. 381380. 368940(600) 2.750e-6 350503. 368003. 361630(600) 2.769e-6 350347. 360620. 358960(600) 2.825e-6 350190. 357499. 359230(600) 2.796e-6 350033. 357656. 363220(600) 2.769e-6 349876. 362000. 370410(600) 2.741e-6 349719. 370316. 380420(620) 2.644e-6 349562. 382538. 394150(630) 2.536e-6 349405. 394654. 401420(630) 2.488e-6 349248. 399994. 396060(640) 2.480e-6 349091. 396515. 387180(640) 2.464e-6 348934. 390407. 388990(640) 2.449e-6 348777. 391792. 405570(650) 2.396e-6 348620. 407412. 433770(660) 2.268e-6 348462. 432422. 455720(680) 2.163e-6 348305. 453233. 461220(690) 2.131e-6 348148. 460154. 456440(680) 2.163e-6 347990. 458760. 456500(680) 2.169e-6 347833. 459883. 462120(690) 2.125e-6 347675. 465409. 464030(690) 2.131e-6 347518. 465729. 452870(680) 2.188e-6 347360. 450555. 428010(660) 2.331e-6 347203. 424117. 402710(640) 2.472e-6 347045. 400515. 388850(620) 2.585e-6 346887. 388984. 390680(620) 2.576e-6 346729. 391007. 403810(630) 2.496e-6 346572. 401879. 409880(640) 2.480e-6 346414. 409922. 405810(630) 2.504e-6 346256. 404206. 390340(620) 2.610e-6 346098. 387594. 372480(600) 2.750e-6 345940. 370468. 361030(600) 2.815e-6 345782. 360599. 358790(590) 2.834e-6 345624. 359483. 365210(600) 2.787e-6 345466. 366401. 378340(610) 2.696e-6 345308. 380162. 393920(620) 2.585e-6 345149. 396097. 404060(630) 2.528e-6 344991. 405109. 401390(630) 2.536e-6 344833. 400327. 388670(620) 2.618e-6 344675. 387689. 378330(610) 2.687e-6 344516. 377628. 375900(610) 2.679e-6 344358. 376238. 379970(610) 2.661e-6 344199. 379700. 384230(620) 2.576e-6 344041. 380741. 381670(630) 2.528e-6 343882. 374700. 372430(630) 2.552e-6 343724. 365807. 364690(610) 2.679e-6 343565. 359950. 365800(610) 2.687e-6 343407. 361977. 374660(610) 2.653e-6 343248. 373380. 392380(630) 2.496e-6 343089. 389109. 403700(640) 2.472e-6 342931. 400150. 405730(640) 2.457e-6 342772. 400280. 401250(640) 2.441e-6 342613. 395506. 401740(630) 2.496e-6 342454. 395869. 405510(640) 2.457e-6 342296. 401682. 405690(640) 2.464e-6 342137. 403442. 397280(630) 2.520e-6 341978. 394656. 381990(620) 2.635e-6 341819. 381891. 371830(610) 2.723e-6 341660. 374250. 373640(610) 2.653e-6 341501. 376530. 386140(620) 2.635e-6 341342. 387046. 398330(630) 2.544e-6 341183. 398943. 401520(630) 2.512e-6 341024. 400850. 391430(620) 2.576e-6 340865. 390862. 376190(610) 2.687e-6 340706. 376985. 365210(600) 2.769e-6 340546. 366689. 359740(600) 2.825e-6 340387. 360541. 355730(590) 2.844e-6 340228. 356958. 355350(590) 2.853e-6 340069. 355671. 356870(590) 2.834e-6 339910. 357296. 360930(600) 2.806e-6 339750. 361826. 366090(600) 2.750e-6 339591. 367663. 372330(610) 2.723e-6 339432. 374021. 377080(610) 2.670e-6 339272. 377750. 374340(610) 2.679e-6 339113. 374395. 364160(600) 2.759e-6 338953. 364637. 353350(600) 2.741e-6 338794. 354198. 348400(600) 2.787e-6 338635. 347577. 347650(600) 2.825e-6 338475. 345350. 347620(590) 2.902e-6 338316. 345744. 347770(590) 2.902e-6 338156. 346210. 348190(590) 2.922e-6 337997. 345680. 347560(590) 2.902e-6 337837. 343813. 345220(590) 2.922e-6 337677. 341588. 342980(580) 2.973e-6 337518. 340203. 340740(580) 2.962e-6 337358. 339575. 342640(580) 2.942e-6 337199. 339888. 344300(580) 2.932e-6 337039. 342012. 348370(590) 2.892e-6 336879. 346925. 356410(600) 2.825e-6 336720. 354631. 361980(600) 2.769e-6 336560. 362186. 363450(600) 2.787e-6 336400. 365233. 361900(600) 2.778e-6 336241. 363463. 361310(600) 2.796e-6 336081. 361467. 359390(600) 2.796e-6 335921. 359408. 354850(590) 2.844e-6 335761. 355020. 349030(590) 2.892e-6 335601. 349332. 343140(580) 2.962e-6 335442. 345504. 342660(580) 2.952e-6 335282. 345270. 346690(590) 2.922e-6 335122. 348398. 351580(590) 2.892e-6 334962. 353379. 357480(590) 2.834e-6 334802. 358188. 359740(600) 2.806e-6 334643. 359354. 356220(590) 2.853e-6 334483. 355181. 349950(590) 2.873e-6 334323. 347796. 342530(580) 2.932e-6 334163. 341343. 338850(580) 2.973e-6 334003. 337272. 336150(580) 2.952e-6 333843. 335368. 336170(590) 2.883e-6 333683. 334642. 334730(590) 2.853e-6 333523. 334535. 335660(580) 2.952e-6 333363. 334971. 335940(580) 2.962e-6 333204. 336793. 338720(580) 2.962e-6 333044. 339930. 342000(590) 2.922e-6 332884. 343943. 343650(580) 2.952e-6 332724. 346394. 344500(580) 2.932e-6 332564. 345429. 342800(580) 2.952e-6 332404. 342992. 341940(580) 2.983e-6 332244. 341854. 343340(580) 2.962e-6 332084. 343279. 346560(590) 2.922e-6 331924. 346853. 349740(590) 2.922e-6 331764. 351499. 352130(590) 2.902e-6 331604. 354845. 352340(590) 2.902e-6 331444. 356175. 352320(590) 2.892e-6 331284. 355745. 349760(590) 2.922e-6 331124. 354485. 349450(580) 2.932e-6 330964. 353558. 352500(590) 2.873e-6 330804. 354684. 358680(600) 2.815e-6 330644. 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268950(520) 3.68e-6 240019. 268176. 265380(520) 3.73e-6 239917. 266561. 261480(510) 3.79e-6 239816. 264060. 257650(510) 3.86e-6 239714. 261224. 254830(510) 3.81e-6 239612. 258851. 253530(510) 3.80e-6 239510. 257204. 253700(520) 3.76e-6 239409. 256376. 253550(510) 3.79e-6 239307. 256257. 254770(510) 3.84e-6 239205. 256740. 257340(510) 3.86e-6 239103. 257783. 260590(510) 3.81e-6 239002. 259203. 263070(510) 3.80e-6 238900. 260783. 265590(520) 3.77e-6 238798. 262307. 266990(520) 3.76e-6 238696. 263469. 266710(520) 3.77e-6 238595. 264104. 265280(510) 3.81e-6 238493. 264035. 262310(510) 3.84e-6 238391. 263155. 259880(510) 3.88e-6 238289. 261517. 258300(510) 3.92e-6 238188. 259308. 255980(500) 3.95e-6 238086. 256845. 253240(500) 3.98e-6 237984. 254406. 251690(500) 4.02e-6 237882. 252321. 250610(500) 4.05e-6 237781. 250673. 249670(500) 4.06e-6 237679. 249496. 249580(500) 4.05e-6 237577. 248776. 249840(500) 4.05e-6 237475. 248429. 250300(500) 4.05e-6 237373. 248424. 250560(500) 4.03e-6 237271. 248556. 250330(500) 4.02e-6 237169. 248714. 249570(500) 4.03e-6 237067. 248721. 248460(500) 4.06e-6 236965. 248436. 247030(500) 4.06e-6 236863. 247832. 246140(500) 4.08e-6 236761. 246973. 244740(500) 4.08e-6 236659. 245939. 243760(490) 4.10e-6 236557. 244879. 243110(490) 4.10e-6 236455. 243938. 243310(500) 4.08e-6 236353. 243178. 242980(500) 3.97e-6 236251. 242720. 243210(510) 3.92e-6 236149. 242498. 243750(500) 3.95e-6 236047. 242461. 243670(500) 4.02e-6 235945. 242587. 244240(500) 4.05e-6 235842. 242765. 243780(500) 4.06e-6 235740. 242874. 243130(490) 4.10e-6 235638. 242941. 243040(490) 4.10e-6 235535. 242967. 242800(500) 4.08e-6 235433. 243061. 242900(490) 4.11e-6 235330. 243286. 243170(490) 4.13e-6 235228. 243751. 244460(500) 4.08e-6 235125. 244554. 246150(500) 4.06e-6 235023. 245661. 247370(500) 4.06e-6 234920. 247008. 248380(500) 4.05e-6 234818. 248492. 249540(500) 4.02e-6 234715. 249878. 251260(500) 3.98e-6 234612. 251041. 252410(500) 3.98e-6 234509. 251839. 252840(500) 3.98e-6 234407. 252183. 253310(500) 3.97e-6 234304. 252026. 252820(500) 3.95e-6 234201. 251369. 251310(500) 4.00e-6 234098. 250299. 250470(500) 4.02e-6 233995. 249042. 249560(500) 4.00e-6 233892. 247783. 248330(500) 4.03e-6 233788. 246657. 247310(500) 4.05e-6 233685. 245759. 246200(500) 4.05e-6 233582. 245108. 245160(500) 4.06e-6 233479. 244732. 244580(500) 4.06e-6 233375. 244562. 244350(500) 4.05e-6 233272. 244540. 243720(500) 4.06e-6 233168. 244633. 242770(500) 4.06e-6 233065. 244772. 243420(500) 3.97e-6 232961. 244975. 243770(510) 3.91e-6 232857. 245086. 243570(500) 3.94e-6 232753. 245152. 244070(500) 4.02e-6 232650. 245148. 244550(500) 4.06e-6 232546. 245203. 244860(500) 4.05e-6 232442. 245311. 244970(500) 4.06e-6 232338. 245368. 245320(500) 4.06e-6 232233. 245451. 246630(500) 4.02e-6 232129. 245489. 246970(500) 4.05e-6 232025. 245439. 246470(500) 4.06e-6 231920. 245208. 246220(500) 4.06e-6 231816. 244731. 245090(500) 4.08e-6 231711. 244022. 243630(490) 4.10e-6 231607. 243190. 242390(490) 4.15e-6 231502. 242393. 240580(490) 4.16e-6 231397. 241815. 239830(490) 4.20e-6 231292. 241517. 240720(490) 4.25e-6 231187. 241607. 241330(490) 4.11e-6 231082. 242125. 242250(500) 4.05e-6 230977. 243061. 243860(490) 4.20e-6 230872. 244218. 245280(490) 4.11e-6 230766. 245533. 246900(500) 4.06e-6 230661. 246847. 248110(500) 4.05e-6 230555. 247908. 248720(500) 4.05e-6 230450. 248698. 248900(500) 4.05e-6 230344. 249036. 248200(500) 4.02e-6 230238. 248901. 247450(500) 4.05e-6 230132. 248326. 246800(500) 4.06e-6 230026. 247334. 245450(500) 4.05e-6 229920. 246062. 243630(500) 4.08e-6 229814. 244646. 241860(490) 4.10e-6 229707. 243278. 240880(500) 4.03e-6 229601. 242188. 240010(500) 4.00e-6 229494. 241606. 239760(500) 4.05e-6 229387. 241564. 240450(490) 4.13e-6 229281. 242226. 242260(490) 4.15e-6 229174. 243499. 244690(490) 4.10e-6 229067. 245275. 247730(500) 4.05e-6 228959. 247370. 250370(500) 4.02e-6 228852. 249569. 252900(500) 3.97e-6 228745. 251648. 255280(500) 3.94e-6 228637. 253334. 256880(510) 3.92e-6 228529. 254490. 257410(510) 3.91e-6 228422. 255008. 256840(510) 3.92e-6 228314. 254917. 255720(510) 3.92e-6 228206. 254291. 253620(500) 3.97e-6 228097. 253236. 252120(500) 3.98e-6 227989. 251973. 250780(500) 3.98e-6 227881. 250654. 248570(500) 4.05e-6 227772. 249388. 247170(500) 4.06e-6 227663. 248270. 246760(500) 4.05e-6 227555. 247408. 246060(500) . . . 245780(500) . . . 246440(500) . . . 246540(500) . . . 246990(500) . . . 246690(500) . . . 246940(500) . . . 246780(500) . . . 245290(500) . . . 244970(500) . . . 243770(500) . . . 242670(500) . . . 241850(500) . . . 240400(500) . . . 238210(500) . . . 236090(490) . . . 234510(480) . . . 233040(480) . . . 230640(480) . . . 228920(480) . . . 227470(480) . . . 225120(470) . . . 222810(470) . . . 220720(470) . . . 218310(460) . . . 215730(460) . . . 212780(460) . . . 210300(460) . . . 208040(450) . . . 205540(450) . . . 202950(450) . . . 200910(450) . . . 199000(440) . . . 197180(440) . . . 195990(440) . . . 194200(440) . . . 191740(440) . . . 189480(430) . . . 187640(430) . . . 185150(430) . . . 182170(430) . . . 178390(420) . . . 174240(420) . . . 170790(420) . . . 167530(420) . . . 164510(410) . . . 161030(410) . . . 158160(400) . . . 155540(390) . . . 152660(390) . . . 150540(390) . . . 148610(390) . . . 146120(380) . . . 143500(380) . . . 141400(370) . . . 139660(370) . . . 136980(370) . . . 134770(360) . . . 132670(360) . . . 130260(360) . . . 128230(360) . . . 125450(350) . . . 123150(350) . . . 120920(350) . . . 117590(340) . . . 114800(340) . . . 111920(330) . . . 109080(330) . . . 106140(320) . . . 103660(320) . . . 101200(320) . . . 98660(320) . . . 95880(310) . . . 93200(300) . . . 90350(300) . . . 87890(300) . . . 85230(300) . . . 82340(290) . . . 79980(290) . . . 77010(280) . . . 74670(270) . . . 72640(270) . . . 70040(260) . . . 67400(260) . . . 65040(250) . . . 62500(250) . . . 60020(240) . . . 57780(240) . . . 55300(230) . . . 52990(230) . . . 51310(230) . . . 49290(230) . . . 46500(210) . . . 44630(210) . . . 42600(210) . . . 40420(200) . . . 38710(200) . . . 36710(190) . . . 34590(180) . . . 32870(180) . . . 31020(180) . . . 29270(170) . . . 27710(170) . . . 26060(160) . . . 24230(160) . . . 22890(150) . . . 21500(150) . . . 19710(140) . . . 18240(140) . . . 16970(130) . . . 15900(130) . . . 14800(120) . . . 13810(120) . . . 12910(110) . . . 12060(110) . . . 11280(110) . . . 10680(100) . . . 10000(100) . . . 9337(97) . . . 8837(93) . . . 8279(89) . . . 7825(90) . . . 7545(86) . . . 7281(82) . . . 6977(84) . . . 6757(82) . . . 6456(78) . . . 6329(78) . . . 6338(79) . . . 6306(78) . . . 6256(78) . . . 6322(80) . . . 6350(79) . . . 6434(80) . . . 6450(81) . . . 6528(82) . . . 6600(83) . . . 6551(80) . . . 6603(82) . . . 6576(83) . . . 6625(79) . . . 1978(23) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . _pd_meas_number_of_points 1573 _pd_proc_number_of_points 1573 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 2 0 1 o 9.733 10.418 5.82 8.69939 34.88 1 0 0 1 o 41.048 36.862 0.00 7.16234 100.00 0 0 1 1 o 30.499 30.757 180.00 7.02701 71.54 1 1 0 1 o 1.986 1.992 149.48 6.62311 8.29 0 1 1 1 o 1.835 1.715 24.87 6.51566 7.41 1 0 -1 1 o 1.738 1.864 180.00 5.86584 2.85 1 1 -1 1 o 11.907 11.553 108.83 5.55844 35.14 1 2 0 1 o 12.889 12.907 -97.22 5.52941 37.65 0 2 1 1 o 11.080 11.833 -73.24 5.46642 31.64 1 2 -1 1 o 40.259 40.709 13.95 4.86351 91.38 1 3 0 1 o 37.078 36.506 161.20 4.50724 72.51 0 3 1 1 o 51.065 51.251 46.59 4.47293 98.38 1 0 1 1 o 7.303 7.489 0.00 4.45315 6.97 0 4 0 1 o 0.490 0.751 167.14 4.34969 0.45 1 1 1 1 o 1.231 1.737 -12.49 4.31409 2.21 1 0 0 2 o 0.585 0.626 180.00 4.25352 3.89 1 3 -1 1 o 16.950 17.111 95.29 4.12415 27.87 1 2 1 1 o 7.837 7.587 1.87 3.96398 11.93 1 4 0 1 o 2.867 3.147 116.53 3.71780 3.85 0 4 1 1 o 8.861 9.833 116.77 3.69848 11.80 2 0 -1 1 o 20.058 21.047 0.00 3.60700 12.72 2 0 0 1 o 6.965 6.934 180.00 3.58117 4.36 1 0 -2 1 o 4.995 5.061 180.00 3.55479 3.08 1 3 1 1 o 9.353 9.696 -154.52 3.53205 11.39 2 1 -1 1 o 5.300 5.494 122.12 3.53190 6.46 0 0 2 1 o 9.946 10.282 180.00 3.51351 6.00 2 1 0 1 o 9.688 9.967 165.40 3.50764 11.64 1 4 -1 1 o 11.377 11.544 -162.78 3.49391 13.57 1 1 -2 1 o 2.699 2.705 -148.11 3.48284 3.20 0 1 2 1 o 2.793 2.678 -156.30 3.44398 3.24 2 2 -1 1 o 11.138 11.473 44.17 3.33195 12.13 1 0 1 2 o 1.654 1.808 -60.00 3.34231 6.89 1 0 -1 2 o 4.296 4.696 60.00 3.34231 17.90 2 2 0 1 o 35.406 34.755 -130.05 3.31155 38.11 1 2 -2 1 o 8.852 8.635 126.00 3.29066 9.41 0 2 2 1 o 30.803 29.256 141.91 3.25783 32.14 1 5 0 1 o 7.607 6.951 135.55 3.12991 7.35 0 5 1 1 o 20.231 18.900 79.43 3.11836 19.42 1 4 1 1 o 8.786 8.285 161.93 3.11163 8.40 2 3 -1 1 o 9.026 9.058 137.23 3.06293 8.37 2 3 0 1 o 34.451 33.877 94.19 3.04707 31.64 1 3 -2 1 o 14.043 13.809 -143.73 3.03077 12.77 0 3 2 1 o 33.836 33.882 -69.89 3.00506 30.27 1 5 -1 1 o 0.510 0.509 -176.59 2.99278 0.45 2 0 -2 1 o 28.119 28.066 180.00 2.93292 12.01 0 6 0 1 o 10.837 12.722 -139.37 2.89980 4.53 2 1 -2 1 o 3.732 4.509 -179.88 2.89212 3.11 2 0 1 1 o 2.224 2.689 0.00 2.89170 0.93 1 0 2 1 o 0.388 0.429 180.00 2.86459 0.16 2 1 1 1 o 9.832 10.188 -116.67 2.85257 7.97 1 1 2 1 o 14.920 14.980 -21.25 2.82653 11.89 2 2 -2 1 o 3.012 2.784 168.62 2.77922 2.33 2 4 -1 1 o 16.094 14.803 -173.87 2.77654 12.41 2 4 0 1 o 1.851 1.674 96.37 2.76470 1.42 1 4 -2 1 o 7.570 6.900 17.73 2.75251 5.74 2 2 1 1 o 4.002 3.759 55.31 2.74407 3.02 1 5 1 1 o 5.204 4.944 -49.30 2.74191 3.92 0 4 2 1 o 5.103 5.126 68.39 2.73321 3.82 1 2 2 1 o 0.555 0.603 122.20 2.72087 0.41 1 6 0 1 o 16.906 16.209 123.26 2.68786 12.27 0 6 1 1 o 8.398 7.683 89.99 2.68053 6.06 2 3 -2 1 o 1.139 0.796 -90.02 2.61728 0.79 1 6 -1 1 o 2.097 2.268 46.13 2.59950 1.43 2 3 1 1 o 13.646 14.666 178.68 2.58786 9.23 1 3 2 1 o 0.134 0.107 91.09 2.56837 0.09 2 5 -1 1 o 7.717 7.956 82.36 2.50433 4.91 2 5 0 1 o 2.494 2.680 26.13 2.49564 1.58 1 5 -2 1 o 0.745 0.831 43.50 2.48666 0.47 0 5 2 1 o 17.955 20.807 26.44 2.47240 11.16 3 0 -1 1 o 0.275 0.318 180.00 2.47199 0.09 1 1 0 2 o 2.100 2.206 -136.08 2.45577 4.90 3 1 -1 1 o 1.244 1.275 -140.03 2.44741 0.76 2 4 -2 1 o 6.185 6.860 93.16 2.43176 3.73 1 6 1 1 o 8.255 9.183 -64.89 2.43001 4.97 1 0 -3 1 o 1.367 1.518 180.00 2.42742 0.41 2 4 1 1 o 5.425 5.442 -37.31 2.40810 3.21 1 1 -3 1 o 12.164 12.080 -7.87 2.40413 7.18 1 4 2 1 o 33.306 32.551 -90.31 2.39238 19.50 3 0 0 1 o 0.786 0.759 180.00 2.38745 0.23 3 2 -1 1 o 28.127 26.829 125.77 2.37785 16.28 3 1 0 1 o 11.266 11.642 41.54 2.36528 6.46 1 7 0 1 o 5.931 6.420 -54.22 2.34816 3.36 0 7 1 1 o 13.967 14.532 -101.43 2.34327 7.87 0 0 3 1 o 36.111 37.263 180.00 2.34234 10.17 1 2 -3 1 o 43.167 42.958 -119.85 2.33810 24.24 0 1 3 1 o 4.326 3.951 143.58 2.32139 2.40 3 2 0 1 o 2.011 1.889 -141.42 2.30232 1.10 1 7 -1 1 o 43.459 43.761 -34.41 2.28856 23.48 1 0 2 2 o 0.279 0.285 -120.00 2.28067 0.57 1 0 -2 2 o 2.832 2.897 -60.00 2.28067 5.78 3 0 -2 1 o 3.000 3.075 0.00 2.28007 0.80 3 3 -1 1 o 0.483 0.497 163.48 2.27403 0.26 0 2 3 1 o 10.492 10.568 -61.32 2.26178 5.55 3 1 -2 1 o 0.158 0.159 162.40 2.26074 0.08 2 6 -1 1 o 67.323 67.689 140.32 2.26001 35.56 2 0 -3 1 o 22.635 22.743 0.00 2.25793 5.97 2 6 0 1 o 24.604 24.774 -61.50 2.25362 12.93 1 6 -2 1 o 23.112 23.365 87.00 2.24700 12.08 2 5 -2 1 o 14.897 15.014 -39.75 2.24260 7.76 1 3 -3 1 o 23.011 23.047 -16.91 2.23919 11.95 2 1 -3 1 o 6.285 6.295 127.06 2.23916 3.27 1 1 1 2 o 1.382 1.375 -45.19 2.23573 5.44 0 6 2 1 o 58.921 58.631 92.49 2.23646 30.54 2 0 2 1 o 20.427 20.040 180.00 2.22658 5.25 2 5 1 1 o 3.824 3.754 -36.78 2.22401 1.96 1 5 2 1 o 9.084 8.906 -179.49 2.21160 4.62 2 1 2 1 o 4.697 4.585 -146.94 2.20856 2.38 3 3 0 1 o 60.543 59.024 28.67 2.20770 30.67 3 2 -2 1 o 0.975 0.948 -75.05 2.20557 0.49 2 2 -3 1 o 2.658 2.716 22.47 2.18552 1.32 0 8 0 1 o 32.287 32.883 173.39 2.17485 7.96 0 3 3 1 o 33.113 33.404 178.51 2.17189 16.29 1 7 1 1 o 23.580 23.672 -131.65 2.17035 11.59 2 2 2 1 o 4.371 4.200 140.81 2.15704 2.12 3 4 -1 1 o 45.322 40.572 -92.26 2.14916 21.89 2 0 0 2 o 0.072 0.065 0.00 2.12676 0.13 3 3 -2 1 o 55.864 51.184 -165.66 2.12197 26.38 1 4 -3 1 o 19.885 18.263 97.95 2.11968 9.37 2 3 -3 1 o 74.046 70.611 -146.96 2.10409 34.45 3 0 1 1 o 0.325 0.327 180.00 2.09547 0.08 3 4 0 1 o 9.471 9.648 73.64 2.09291 4.37 1 8 0 1 o 5.475 5.573 -122.45 2.08102 2.50 3 1 1 1 o 26.491 26.935 -175.09 2.08043 12.08 2 3 2 1 o 29.378 29.798 -172.63 2.07865 13.38 0 8 1 1 o 12.705 12.882 -6.38 2.07762 5.78 1 0 3 1 o 18.055 18.620 180.00 2.06811 4.08 0 4 3 1 o 1.926 2.006 100.84 2.06232 0.86 2 6 -2 1 o 7.797 8.124 -72.31 2.06208 3.50 1 1 3 1 o 2.503 2.602 -170.81 2.05365 1.12 2 6 1 1 o 9.344 9.690 65.65 2.04760 4.15 2 7 -1 1 o 6.946 7.199 -177.22 2.04667 3.08 2 7 0 1 o 0.402 0.413 66.83 2.04192 0.18 1 8 -1 1 o 3.587 3.660 150.64 2.03920 1.58 1 6 2 1 o 4.816 4.885 114.90 2.03790 2.12 3 2 1 1 o 30.364 30.709 -161.06 2.03720 13.35 1 7 -2 1 o 5.713 5.773 -86.65 2.03699 2.51 0 7 2 1 o 0.625 0.588 -172.56 2.02913 0.27 3 4 -2 1 o 1.105 0.885 131.37 2.01944 0.48 3 5 -1 1 o 8.932 6.632 90.47 2.01524 3.85 1 2 3 1 o 4.212 2.906 -85.82 2.01204 1.81 2 4 -3 1 o 2.447 1.440 -137.74 2.00401 1.05 1 5 -3 1 o 0.045 0.032 -70.18 1.99088 0.02 2 4 2 1 o 20.045 18.666 7.06 1.98199 8.41 2 0 1 2 o 3.395 3.341 120.00 1.97901 5.40 2 0 -1 2 o 0.380 0.374 -120.00 1.97901 0.60 3 3 1 1 o 8.738 8.943 39.10 1.97077 3.63 3 5 0 1 o 18.677 19.335 12.94 1.96865 7.74 3 0 -3 1 o 4.199 4.810 0.00 1.95528 0.86 1 8 1 1 o 1.839 2.091 135.42 1.95424 0.75 1 3 3 1 o 12.819 13.289 42.72 1.94796 5.22 0 5 3 1 o 8.783 8.319 -177.21 1.94312 3.56 3 1 -3 1 o 17.119 16.190 -164.11 1.94305 6.94 3 2 -3 1 o 14.406 15.998 161.28 1.90769 5.66 3 5 -2 1 o 2.899 3.209 -110.61 1.90713 1.14 2 7 -2 1 o 4.176 4.323 -161.22 1.89620 1.62 2 5 -3 1 o 2.642 2.768 103.59 1.89412 1.03 3 4 1 1 o 19.454 21.649 6.91 1.88782 7.51 2 7 1 1 o 1.741 1.989 -12.45 1.88492 0.67 3 6 -1 1 o 11.605 13.533 -126.11 1.88121 4.46 1 7 2 1 o 2.467 2.870 -138.40 1.87735 0.94 2 5 2 1 o 11.320 13.031 -178.24 1.87550 4.32 1 4 3 1 o 1.670 1.780 137.12 1.86774 0.63 1 9 0 1 o 11.768 12.378 76.28 1.86641 4.46 0 9 1 1 o 26.910 27.732 -101.62 1.86395 10.17 2 8 -1 1 o 12.035 12.295 -23.25 1.86249 4.54 1 6 -3 1 o 0.821 0.835 121.03 1.86134 0.31 2 8 0 1 o 4.371 4.426 35.83 1.85890 1.65 4 0 -1 1 o 129.367 130.993 180.00 1.85882 24.34 1 8 -2 1 o 16.832 17.167 -75.82 1.85518 6.31 3 3 -3 1 o 7.483 7.672 146.52 1.85281 2.80 0 8 2 1 o 3.087 3.143 -166.26 1.84924 1.15 4 1 -1 1 o 7.575 7.668 -53.01 1.84830 2.82 3 6 0 1 o 26.884 26.024 -114.89 1.84314 9.98 1 9 -1 1 o 5.060 4.908 22.34 1.83606 1.87 1 0 -4 1 o 94.394 92.024 0.00 1.82334 17.20 0 6 3 1 o 47.738 46.562 -28.01 1.82214 17.38 4 2 -1 1 o 0.446 0.440 -113.11 1.81778 0.16 1 1 2 2 o 2.671 2.643 12.15 1.81729 7.37 1 1 -4 1 o 14.199 14.213 57.03 1.81341 5.13 4 0 -2 1 o 24.224 26.551 0.00 1.80350 4.34 0 0 3 2 o 0.559 0.618 0.00 1.80127 0.25 3 5 1 1 o 9.191 9.883 77.17 1.79511 3.27 4 1 -2 1 o 10.473 11.224 -130.88 1.79389 3.72 3 6 -2 1 o 31.159 33.257 -99.37 1.79236 11.04 4 0 0 1 o 1.318 1.399 0.00 1.79059 0.23 1 2 -4 1 o 7.738 7.935 -131.44 1.78457 2.72 3 4 -3 1 o 10.336 10.529 36.58 1.78338 3.63 2 6 -3 1 o 12.344 12.487 -10.35 1.78155 4.33 4 1 0 1 o 35.120 35.497 -124.63 1.78118 12.32 1 5 3 1 o 26.687 26.997 -27.12 1.77783 9.33 2 0 -4 1 o 0.508 0.514 180.00 1.77740 0.09 1 9 1 1 o 33.895 34.375 151.05 1.77331 11.81 4 3 -1 1 o 3.192 3.182 -78.44 1.77012 1.11 2 1 -4 1 o 0.611 0.601 -175.66 1.76819 0.21 3 0 2 1 o 3.385 3.301 180.00 1.76628 0.59 2 6 2 1 o 11.938 11.637 -55.21 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1 o 13.701 13.107 -67.86 1.11170 2.94 5 5 -5 1 o 3.310 3.168 -165.16 1.11169 0.71 2 6 5 1 o 13.549 13.125 21.41 1.11111 2.91 4 1 4 1 o 0.935 0.907 -65.47 1.11102 0.20 6 6 -3 1 o 10.931 10.667 -153.62 1.11065 2.35 3 14 -1 1 o 35.720 35.015 59.04 1.11035 7.67 0 5 6 1 o 0.849 0.837 -174.16 1.10999 0.18 1 0 6 1 o 18.802 18.747 0.00 1.10930 2.02 4 3 -6 1 o 33.299 33.942 166.65 1.10817 7.15 6 3 1 1 o 5.445 5.662 167.88 1.10713 1.17 1 1 6 1 o 1.998 2.081 -163.26 1.10705 0.43 4 8 -5 1 o 13.311 13.863 175.14 1.10705 2.86 6 7 -2 1 o 5.850 6.120 133.40 1.10671 1.26 1 14 -3 1 o 2.818 2.956 87.22 1.10622 0.61 5 10 0 1 o 2.858 2.994 61.12 1.10588 0.61 2 10 4 1 o 0.255 0.266 127.69 1.10580 0.05 6 7 -1 1 o 3.633 3.683 110.18 1.10446 0.78 3 13 -3 1 o 11.704 11.851 -86.86 1.10442 2.52 4 2 4 1 o 5.219 5.263 -65.72 1.10428 1.12 2 15 -1 1 o 6.316 6.360 126.37 1.10423 1.36 6 6 0 1 o 8.962 8.934 52.41 1.10385 1.93 2 15 0 1 o 10.463 10.358 25.69 1.10348 2.25 6 4 -4 1 o 4.833 4.770 -35.89 1.10279 1.04 1 15 -2 1 o 21.256 20.987 105.03 1.10270 4.58 3 14 0 1 o 7.318 7.255 -140.96 1.10236 1.58 0 15 2 1 o 35.369 35.936 140.33 1.10145 7.62 1 2 6 1 o 1.082 1.144 38.96 1.10039 0.23 5 9 1 1 o 7.987 8.803 71.08 1.09859 1.72 0 14 3 1 o 6.915 7.595 110.57 1.09782 1.49 5 0 3 1 o 9.939 10.908 0.00 1.09775 1.07 3 6 -6 1 o 9.095 9.827 -151.58 1.09689 1.96 5 1 3 1 o 35.905 37.593 12.36 1.09557 7.76 4 8 3 1 o 0.287 0.297 75.53 1.09516 0.06 4 3 4 1 o 19.908 19.915 36.94 1.09333 4.31 0 10 5 1 o 1.836 1.837 -119.48 1.09328 0.40 5 7 2 1 o 17.971 17.974 -111.81 1.09302 3.89 4 4 -6 1 o 6.660 6.672 20.16 1.09276 1.44 6 4 1 1 o 3.936 4.029 87.54 1.09176 0.85 3 8 4 1 o 4.147 4.254 88.98 1.09169 0.90 5 10 -3 1 o 4.323 4.496 37.05 1.09128 0.94 3 14 -2 1 o 2.325 2.424 85.05 1.09120 0.50 2 7 -6 1 o 5.076 5.396 34.59 1.09063 1.10 4 12 -3 1 o 2.780 3.014 -157.50 1.09001 0.60 3 0 5 1 o 14.504 15.808 0.00 1.08982 1.57 1 3 6 1 o 12.384 13.598 -132.77 1.08955 2.69 5 2 3 1 o 4.331 4.808 -62.04 1.08912 0.94 2 14 -3 1 o 1.204 1.348 -10.27 1.08875 0.26 3 1 5 1 o 7.757 8.779 -21.96 1.08768 1.69 4 13 -1 1 o 3.323 3.773 -120.51 1.08613 0.72 5 6 -5 1 o 3.796 4.298 102.98 1.08754 0.83 0 6 6 1 o 2.185 2.484 82.16 1.08594 0.48 0 16 0 1 o 0.572 0.647 11.46 1.08742 0.06 1 7 -6 1 o 1.527 1.730 -37.32 1.08701 0.33 2 14 2 1 o 3.689 4.217 108.27 1.08518 0.80 1 9 5 1 o 16.964 19.225 144.85 1.08672 3.69 3 12 -4 1 o 8.362 9.479 -62.39 1.08659 1.82 4 12 1 1 o 7.118 8.106 -153.58 1.08429 1.55 3 10 -5 1 o 0.576 0.637 -53.17 1.08348 0.13 6 5 -4 1 o 9.443 10.387 -39.92 1.08338 2.06 2 7 5 1 o 5.551 5.882 -8.72 1.08277 1.21 3 11 3 1 o 0.840 0.868 130.79 1.08239 0.18 6 7 -3 1 o 30.199 31.154 91.76 1.08235 6.59 5 11 -1 1 o 15.681 16.016 134.55 1.08218 3.42 3 2 5 1 o 21.017 20.824 76.04 1.08136 4.59 3 1 2 2 o 1.680 1.650 95.95 1.08115 2.79 3 1 -2 2 o 2.725 2.675 -23.76 1.08115 4.53 1 13 -4 1 o 2.139 2.283 -7.59 1.07891 0.47 2 15 -2 1 o 2.022 2.179 -34.43 1.07863 0.44 5 3 3 1 o 3.217 3.470 -25.93 1.07860 0.70 4 4 4 1 o 13.951 15.074 49.66 1.07852 3.06 5 11 -2 1 o 2.914 3.172 -116.47 1.07755 0.64 1 12 4 1 o 5.052 5.461 -7.74 1.07711 1.11 2 15 1 1 o 16.829 17.946 -18.12 1.07654 3.69 6 7 0 1 o 0.401 0.422 -166.95 1.07606 0.09 4 11 -4 1 o 5.311 5.525 -46.07 1.07538 1.17 1 15 2 1 o 2.728 2.831 -160.77 1.07512 0.60 1 16 0 1 o 13.833 14.352 -16.41 1.07510 3.04 5 9 -4 1 o 2.907 3.015 163.56 1.07502 0.64 1 4 6 1 o 13.993 14.508 11.69 1.07490 3.07 4 13 -2 1 o 17.665 18.314 -113.52 1.07476 3.88 0 16 1 1 o 10.167 10.545 -122.67 1.07463 2.23 6 8 -2 1 o 11.138 11.556 -145.33 1.07458 2.45 4 5 -6 1 o 21.285 22.266 171.97 1.07386 4.68 6 5 1 1 o 15.440 16.347 -107.04 1.07292 3.40 6 8 -1 1 o 3.253 3.444 133.39 1.07252 0.72 4 13 0 1 o 6.127 6.441 95.80 1.07201 1.35 3 3 5 1 o 5.012 5.108 21.76 1.07107 1.11 1 11 -5 1 o 3.937 3.973 -67.08 1.07083 0.87 4 9 -5 1 o 8.316 8.386 -177.21 1.07081 1.84 3 7 -6 1 o 6.072 5.937 -121.98 1.06960 1.34 1 16 -1 1 o 20.890 20.448 -66.47 1.06921 4.62 2 13 -4 1 o 4.324 4.235 96.75 1.06916 0.96 3 14 1 1 o 3.929 3.862 -28.03 1.06892 0.87 2 11 -5 1 o 18.187 18.531 -35.32 1.06773 4.03 4 11 2 1 o 2.477 2.562 3.16 1.06717 0.55 3 13 2 1 o 13.623 14.187 -166.57 1.06672 3.02 1 14 3 1 o 4.556 4.704 94.71 1.06523 1.01 0 13 4 1 o 1.329 1.361 -41.32 1.06461 0.30 2 13 3 1 o 2.969 3.035 121.35 1.06443 0.66 5 4 3 1 o 14.133 14.442 77.04 1.06438 3.14 4 0 0 2 o 0.068 0.069 0.00 1.06338 0.06 5 8 2 1 o 0.649 0.650 -154.58 1.06204 0.14 7 0 -2 1 o 59.654 59.730 0.00 1.06201 6.65 5 11 0 1 o 13.404 13.370 133.47 1.06176 2.99 2 11 4 1 o 2.282 2.273 -65.39 1.06169 0.51 6 0 -5 1 o 23.476 23.267 180.00 1.06144 2.62 6 6 -4 1 o 26.154 25.609 115.30 1.06099 5.84 5 7 -5 1 o 3.850 3.763 -94.64 1.06093 0.86 4 5 4 1 o 17.547 16.750 -103.15 1.06034 3.92 4 9 3 1 o 4.375 4.111 -108.93 1.06004 0.98 7 1 -2 1 o 13.186 12.381 113.92 1.06003 2.95 2 8 -6 1 o 2.885 2.678 45.52 1.05984 0.65 6 1 -5 1 o 8.405 7.609 80.56 1.05947 1.88 0 7 6 1 o 20.095 18.170 -130.47 1.05945 4.50 5 10 1 1 o 3.011 2.675 102.51 1.05920 0.67 3 4 5 1 o 6.225 4.908 13.32 1.05714 1.40 1 5 6 1 o 1.518 1.193 -86.09 1.05690 0.34 3 9 4 1 o 4.692 3.688 30.31 1.05690 1.05 1 8 -6 1 o 5.636 4.436 -46.30 1.05652 1.27 5 0 -6 1 o 9.453 7.444 0.00 1.05648 1.06 1 16 1 1 o 0.807 0.637 -90.19 1.05638 0.18 5 1 -6 1 o 4.204 3.690 114.42 1.05454 0.95 7 2 -2 1 o 6.510 5.897 -16.70 1.05418 1.47 7 0 -1 1 o 0.098 0.093 0.00 1.05371 0.01 6 2 -5 1 o 0.015 0.014 24.53 1.05362 0.00 2 8 5 1 o 2.233 2.310 -50.82 1.05263 0.51 6 8 -3 1 o 12.123 12.827 -165.35 1.05224 2.74 4 6 -6 1 o 0.156 0.166 -114.85 1.05205 0.04 7 1 -1 1 o 1.365 1.469 106.34 1.05178 0.31 6 6 1 1 o 0.719 0.776 -147.00 1.05116 0.16 0 11 5 1 o 0.288 0.308 -164.99 1.05060 0.07 3 15 -1 1 o 0.537 0.561 -154.90 1.05007 0.12 3 14 -3 1 o 2.918 2.922 24.72 1.04884 0.66 5 11 -3 1 o 5.111 5.114 47.43 1.04881 1.16 5 2 -6 1 o 47.107 47.096 -175.93 1.04878 10.72 1 10 5 1 o 2.760 2.749 -59.83 1.04855 0.63 6 0 2 1 o 19.914 19.765 0.00 1.04773 2.27 1 0 5 2 o 0.005 0.005 60.00 1.04748 0.00 1 0 -5 2 o 4.037 4.013 -60.00 1.04748 3.50 5 5 3 1 o 12.874 12.894 34.06 1.04689 2.94 1 15 -3 1 o 27.828 27.979 112.16 1.04657 6.36 7 0 -3 1 o 2.155 2.169 180.00 1.04649 0.25 6 8 0 1 o 8.271 8.326 -33.29 1.04646 1.89 7 2 -1 1 o 0.183 0.184 -35.60 1.04606 0.04 6 1 2 1 o 29.680 29.962 123.26 1.04584 6.79 7 3 -2 1 o 6.248 6.217 -8.32 1.04464 1.43 7 1 -3 1 o 0.950 0.945 25.62 1.04460 0.22 6 3 -5 1 o 20.296 20.034 140.81 1.04409 4.66 3 15 0 1 o 1.392 1.368 25.33 1.04330 0.32 4 0 -1 2 o 0.060 0.059 -120.00 1.04337 0.05 4 0 1 2 o 3.657 3.591 -60.00 1.04337 3.20 3 11 -5 1 o 3.574 3.520 -33.75 1.04189 0.82 6 9 -2 1 o 3.898 3.839 27.10 1.04135 0.90 2 16 -1 1 o 4.040 3.981 -17.27 1.04114 0.93 2 0 -7 1 o 0.002 0.002 180.00 1.04215 0.00 3 8 -6 1 o 7.427 7.360 81.01 1.04052 1.72 2 16 0 1 o 3.836 3.802 145.65 1.04051 0.89 2 1 -7 1 o 3.403 3.389 -117.58 1.04028 0.79 6 2 2 1 o 2.362 2.356 -84.25 1.04022 0.55 4 13 -3 1 o 2.180 2.177 49.61 1.04017 0.50 3 5 5 1 o 28.543 28.644 129.52 1.04000 6.61 1 16 -2 1 o 1.315 1.327 75.00 1.03986 0.30 6 9 -1 1 o 2.401 2.462 -178.01 1.03947 0.56 0 15 3 1 o 44.170 45.323 -75.92 1.03945 10.24 5 3 -6 1 o 0.285 0.293 -120.66 1.03938 0.07 4 6 4 1 o 1.165 1.203 105.73 1.03932 0.27 7 2 -3 1 o 15.550 16.327 112.64 1.03900 3.61 0 16 2 1 o 1.906 2.022 53.60 1.03881 0.44 5 10 -4 1 o 4.533 4.984 -97.40 1.03803 1.05 3 12 3 1 o 1.386 1.542 162.38 1.03721 0.32 3 13 -4 1 o 1.429 1.589 -98.00 1.03720 0.33 5 12 -1 1 o 11.409 12.654 -50.96 1.03702 2.66 7 3 -1 1 o 1.494 1.643 -79.53 1.03673 0.35 6 7 -4 1 o 14.067 15.124 40.74 1.03623 3.28 1 6 6 1 o 3.299 3.515 -166.68 1.03608 0.77 4 13 1 1 o 9.464 9.554 89.39 1.03520 2.21 2 2 -7 1 o 7.761 7.659 -173.74 1.03475 1.82 4 10 -5 1 o 17.746 17.227 121.91 1.03424 4.16 2 1 -4 2 o 0.827 0.800 -42.03 1.03427 1.47 2 1 4 2 o 0.783 0.757 -146.76 1.03427 1.40 2 0 6 1 o 0.075 0.073 0.00 1.03406 0.01 3 15 -2 1 o 9.269 8.954 -50.10 1.03383 2.18 4 14 -1 1 o 5.701 5.543 89.83 1.03313 1.34 1 0 -7 1 o 3.525 3.434 180.00 1.03305 0.41 5 12 -2 1 o 20.988 20.491 85.44 1.03295 4.94 5 8 -5 1 o 28.790 28.416 125.92 1.03252 6.78 2 1 6 1 o 10.883 10.821 -149.24 1.03223 2.56 2 15 -3 1 o 8.905 8.938 -137.07 1.03174 2.10 7 4 -2 1 o 1.503 1.510 90.09 1.03170 0.35 1 1 -7 1 o 3.514 3.539 96.87 1.03123 0.83 6 4 -5 1 o 1.972 1.986 76.23 1.03118 0.47 0 8 6 1 o 4.522 4.552 -82.82 1.03116 1.07 6 3 2 1 o 0.672 0.676 170.16 1.03104 0.16 4 12 -4 1 o 5.244 5.275 82.24 1.03104 1.24 5 9 2 1 o 14.703 14.406 -40.56 1.02992 3.48 7 3 -3 1 o 0.575 0.563 -32.56 1.02986 0.14 3 0 -7 1 o 0.491 0.475 180.00 1.02954 0.06 1 13 4 1 o 4.191 3.980 82.54 1.02895 1.00 2 15 2 1 o 4.287 4.050 -84.81 1.02870 1.02 2 9 -6 1 o 5.411 5.101 -107.50 1.02792 1.29 4 7 -6 1 o 2.819 2.659 139.64 1.02790 0.67 3 1 -7 1 o 3.335 3.154 115.95 1.02774 0.79 6 7 1 1 o 7.847 7.571 56.30 1.02707 1.87 1 12 -5 1 o 0.068 0.066 -130.94 1.02703 0.02 1 14 -4 1 o 5.288 5.133 5.45 1.02692 1.26 2 2 6 1 o 7.480 7.288 42.27 1.02683 1.79 5 6 3 1 o 2.244 2.202 111.58 1.02665 0.54 5 4 -6 1 o 2.292 2.250 5.76 1.02664 0.55 1 2 -7 1 o 12.054 12.150 76.16 1.02584 2.89 2 3 -7 1 o 3.664 3.701 -126.60 1.02572 0.88 1 9 -6 1 o 3.862 3.885 108.69 1.02488 0.93 4 10 3 1 o 0.213 0.212 -39.22 1.02453 0.05 2 12 -5 1 o 0.399 0.393 -33.27 1.02429 0.10 7 4 -1 1 o 3.298 3.223 -100.18 1.02409 0.79 4 12 2 1 o 0.205 0.197 91.92 1.02380 0.05 4 14 -2 1 o 2.787 2.640 -132.52 1.02334 0.67 7 0 0 1 o 1.206 1.137 0.00 1.02319 0.15 3 2 -7 1 o 9.827 9.163 105.98 1.02240 2.38 3 10 4 1 o 1.621 1.527 83.96 1.02169 0.39 7 1 0 1 o 6.645 6.305 22.45 1.02143 1.61 2 9 5 1 o 3.962 3.770 -123.88 1.02133 0.96 6 9 -3 1 o 1.138 1.095 -30.97 1.02098 0.28 4 14 0 1 o 3.248 3.126 -34.82 1.02096 0.79 5 11 1 1 o 1.501 1.472 153.84 1.02024 0.37 3 6 5 1 o 3.444 3.384 -66.50 1.02015 0.84 2 16 -2 1 o 0.885 0.876 19.78 1.01960 0.22 5 12 0 1 o 2.573 2.548 18.94 1.01901 0.63 2 12 4 1 o 0.028 0.028 -158.03 1.01895 0.01 6 4 2 1 o 3.159 3.120 -32.23 1.01860 0.77 2 14 -4 1 o 0.697 0.688 -50.20 1.01850 0.17 2 3 6 1 o 25.932 25.425 -142.41 1.01800 6.36 2 16 1 1 o 2.648 2.589 11.08 1.01783 0.65 7 4 -3 1 o 2.776 2.696 60.33 1.01746 0.68 1 3 -7 1 o 1.749 1.684 8.41 1.01704 0.43 1 16 2 1 o 24.087 23.003 117.92 1.01664 5.93 3 14 2 1 o 10.865 10.325 -118.34 1.01639 2.68 7 2 0 1 o 9.620 9.109 36.12 1.01619 2.37 4 7 4 1 o 7.848 7.411 119.08 1.01603 1.94 7 5 -2 1 o 6.079 5.719 -108.48 1.01575 1.50 6 9 0 1 o 1.768 1.662 145.68 1.01569 0.44 6 5 -5 1 o 2.392 2.243 -26.99 1.01525 0.59 3 3 -7 1 o 3.796 3.671 -128.70 1.01369 0.94 3 15 1 1 o 4.298 4.038 137.04 1.01482 1.07 2 4 -7 1 o 1.285 1.255 -25.96 1.01346 0.32 0 14 4 1 o 1.616 1.524 84.47 1.01457 0.40 2 2 3 2 o 0.546 0.515 -146.81 1.01458 1.03 2 14 3 1 o 4.710 4.454 9.56 1.01441 1.17 1 17 0 1 o 7.346 7.275 108.44 1.01317 1.83 1 7 6 1 o 5.338 5.331 135.25 1.01299 1.33 0 17 1 1 o 3.575 3.610 91.94 1.01277 0.89 1 15 3 1 o 18.421 19.392 -151.22 1.01167 4.62 5 5 -6 1 o 5.780 6.113 145.42 1.01092 1.45 1 11 5 1 o 5.771 6.088 123.85 1.01072 1.45 3 9 -6 1 o 8.782 9.169 121.04 1.01026 2.21 7 0 -4 1 o 0.394 0.409 0.00 1.01010 0.05 6 8 -4 1 o 7.364 7.553 58.73 1.00972 1.86 0 12 5 1 o 10.404 10.449 48.10 1.00913 2.63 7 5 -1 1 o 0.698 0.689 -171.08 1.00848 0.18 7 1 -4 1 o 3.137 3.092 -39.33 1.00840 0.80 1 17 -1 1 o 1.722 1.694 -70.54 1.00823 0.44 7 3 0 1 o 22.483 22.111 -79.16 1.00763 5.72 6 10 -2 1 o 17.978 17.683 36.69 1.00762 4.58 5 12 -3 1 o 1.465 1.442 32.64 1.00755 0.37 2 4 6 1 o 5.912 6.052 -173.02 1.00602 1.52 6 10 -1 1 o 0.479 0.491 -72.05 1.00592 0.12 1 4 -7 1 o 7.120 7.395 152.61 1.00509 1.83 5 7 3 1 o 2.340 2.425 -121.16 1.00418 0.60 0 0 7 1 o 5.443 5.632 180.00 1.00386 0.70 7 2 -4 1 o 30.690 31.705 109.49 1.00336 7.96 6 5 2 1 o 11.465 11.844 -170.09 1.00324 2.97 5 9 -5 1 o 5.155 5.331 -139.88 1.00294 1.34 0 1 7 1 o 4.793 4.996 -95.15 1.00219 1.25 7 5 -3 1 o 0.050 0.052 150.98 1.00215 0.01 4 8 -6 1 o 11.532 12.054 -151.57 1.00201 3.01 3 4 -7 1 o 0.727 0.762 -126.08 1.00186 0.19 0 9 6 1 o 10.051 10.565 -130.37 1.00169 2.63 3 12 -5 1 o 22.690 23.969 -173.09 1.00141 5.94 5 11 -4 1 o 1.232 1.305 -170.52 1.00129 0.32 6 8 1 1 o 5.698 6.037 138.51 1.00124 1.49 2 5 -7 1 o 8.135 8.275 -142.99 0.99834 2.16 3 7 5 1 o 11.056 11.142 -129.57 0.99809 2.94 4 11 -5 1 o 1.203 1.204 -173.16 0.99788 0.32 3 15 -3 1 o 6.015 5.961 -60.20 0.99759 1.60 1 17 1 1 o 0.211 0.208 -3.30 0.99745 0.06 4 0 -7 1 o 8.628 8.518 0.00 0.99745 1.15 5 10 2 1 o 0.023 0.022 -90.90 0.99726 0.01 0 2 7 1 o 22.961 22.561 -51.22 0.99724 6.13 7 6 -2 1 o 2.896 2.845 157.70 0.99723 0.77 6 6 -5 1 o 56.330 54.972 -32.95 0.99676 15.08 7 4 0 1 o 5.957 5.813 -179.79 0.99601 1.60 4 1 -7 1 o 6.902 6.747 -113.19 0.99581 1.86 2 10 -6 1 o 1.872 1.838 -147.40 0.99544 0.50 3 16 -1 1 o 28.201 27.718 159.92 0.99537 7.60 7 3 -4 1 o 12.076 11.913 -146.27 0.99512 3.26 _reflns_number_total 1062 _reflns_limit_h_min 0 _reflns_limit_h_max 7 _reflns_limit_k_min 0 _reflns_limit_k_max 17 _reflns_limit_l_min -7 _reflns_limit_l_max 7 _reflns_d_resolution_high 0.995 _reflns_d_resolution_low 8.699 # Powder diffraction data for histogram 2 data_PUBLICATIONCONSTRAIN_p_02 _pd_block_id 2007-12-17T17:50|PUBLICATIONCONSTRAIN_H_02|Paul_Henry|D20 #============================================================================== # 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' # phase table loop_ _pd_phase_id _pd_phase_block_id _pd_phase_mass_% _pd_proc_ls_profile_function _pd_proc_ls_peak_cutoff 1 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase1|Paul_Henry|| 95.55 ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 471.594 #2(GV) = -686.726 #3(GW) = 374.750 #4(LX) = 19.454 #5(LY) = 0.000 #6(trns) = 0.000 #7(asym) = 10.0269 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.01000 2 2007-12-17T17:50|PUBLICATIONCONSTRAIN_phase2|Paul_Henry|| 4.45(9) ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 437.000 #2(GV) = -637.000 #3(GW) = 347.664 #4(LX) = 18.643 #5(LY) = 0.000 #6(trns) = 0.000 #7(asym) = 10.6085 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.01000 loop_ _atom_type_symbol _atom_type_scat_length_neutron _atom_type_scat_source Si 0.4151 International_Tables_Vol_C Al 0.3449 International_Tables_Vol_C O 0.5805 International_Tables_Vol_C Ca 0.4700 International_Tables_Vol_C H -0.3741 International_Tables_Vol_C _diffrn_radiation_probe neutron _diffrn_radiation_wavelength 1.3587 _pd_proc_ls_prof_R_factor 0.0071 _pd_proc_ls_prof_wR_factor 0.0089 _pd_proc_ls_prof_wR_expected 0.0067 _refine_ls_R_Fsqd_factor 0.05140 _pd_proc_ls_background_function ; GSAS Background function number 1 with 6 terms. Shifted Chebyshev function of 1st kind 1: 20862.1 2: -7730.71 3: 1037.94 4: 412.780 5: -102.518 6: -158.836 ; _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_info_datetime 2007-12-17T17:50:22 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 0.05 _pd_meas_2theta_range_max 157.25 _pd_meas_2theta_range_inc 0.1 _pd_proc_2theta_range_min -0.0913 _pd_proc_2theta_range_max 157.1087 _pd_proc_2theta_range_inc 0.1 loop_ _pd_meas_intensity_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 10120(110) . . . 9390(100) . . . 8655(96) . . . 7923(91) . . . 7193(86) . . . 6461(81) . . . 5730(76) . . . 4998(71) . . . 4266(66) . . . 3567(60) . . . 2797(53) . . . 2112(46) . . . 1636(41) . . . 1195(35) . . . 1037(32) . . . 976(31) . . . 986(31) . . . 889(30) . . . 862(29) . . . 818(29) . . . 765(28) . . . 775(28) . . . 779(28) . . . 795(28) . . . 726(27) . . . 758(28) . . . 725(27) . . . 746(27) . . . 738(27) . . . 713(26) . . . 750(28) . . . 732(27) . . . 734(27) . . . 699(26) . . . 741(27) . . . 716(27) . . . 734(28) . . . 728(27) . . . 718(27) . . . 715(27) . . . 705(27) . . . 750(28) . . . 832(29) . . . 851(29) . . . 822(29) . . . 845(29) . . . 795(28) . . . 821(29) . . . 797(28) . . . 790(28) . . . 773(28) . . . 849(29) . . . 869(29) . . . 803(28) . . . 926(30) . . . 918(30) . . . 969(31) . . . 1567(40) . . . 3203(57) . . . 5256(72) . . . 7801(89) . . . 10400(100) . . . 13090(120) . . . 15660(130) . . . 18460(140) . . . 20780(150) . . . 23080(150) . . . 25130(160) . . . 27050(170) . . . 28350(170) . . . 29300(170) . . . 28930(170) . . . 29490(170) . . . 29110(170) . . . 29410(170) . . . 29140(170) . . . 29680(170) . . . 29540(170) . . . 29390(170) . . . 29710(170) . . . 29550(170) . . . 29690(170) . . . 29690(170) . . . 29840(170) . . . 30280(170) . . . 30540(180) . . . 30450(180) . . . 30700(180) . . . 31190(180) . . . 31550(180) . . . 31940(180) . . . 31370(180) . . . 31090(180) . . . 30720(180) . . . 30090(170) . . . 29830(170) . . . 29790(170) . . . 30200(180) . . . 30100(180) . . . 30490(180) . . . 30660(180) . . . 30870(180) . . . 31150(180) . . . 31680(180) . . . 32030(180) . . . 32960(180) . . . 34030(180) . . . 35540(190) . . . 37100(190) . . . 38360(200) . . . 38910(200) . . . 37890(200) . . . 36160(190) . . . 34070(180) . . . 32210(180) . . . 30460(170) . . . 30500(180) . . . 30080(170) . . . 30490(180) . . . 30530(180) . . . 30260(170) . . . 30270(170) . . . 29730(170) . . . 29510(170) . . . 29550(170) . . . 29470(170) . . . 29130(170) . . . 29250(170) . . . 29260(170) . . . 29320(170) . . . 29810(170) 0.0000334 29274. 29571. 29710(180) 0.0000327 29258. 29629. 29810(180) 0.0000319 29241. 29708. 30240(180) 0.0000316 29225. 29812. 29980(180) 0.0000327 29208. 29970. 30580(180) 0.0000327 29192. 30251. 31020(180) 0.0000323 29176. 30753. 31390(180) 0.0000319 29160. 31547. 32360(180) 0.0000309 29143. 32615. 33470(180) 0.0000299 29127. 33862. 34340(190) 0.0000292 29111. 35021. 35400(190) 0.0000286 29095. 35606. 35110(190) 0.0000286 29079. 35310. 34240(180) 0.0000295 29063. 34262. 33060(180) 0.0000309 29047. 32904. 31440(180) 0.0000323 29031. 31564. 30140(180) 0.0000305 29015. 30568. 29680(170) 0.0000346 28999. 29946. 29180(170) 0.0000350 28983. 29607. 29190(170) 0.0000346 28967. 29438. 29160(170) 0.0000346 28952. 29356. 29400(170) 0.0000342 28936. 29324. 29440(170) 0.0000338 28920. 29331. 29390(170) 0.0000342 28905. 29394. 29890(170) 0.0000334 28889. 29556. 30080(170) 0.0000334 28873. 29892. 30700(180) 0.0000327 28858. 30541. 31500(180) 0.0000316 28842. 31473. 32390(180) 0.0000309 28827. 32762. 33670(180) 0.0000299 28811. 34100. 34640(190) 0.0000289 28796. 35114. 35100(190) 0.0000280 28781. 35223. 34020(180) 0.0000295 28765. 34194. 32710(180) 0.0000302 28750. 32654. 31140(180) 0.0000305 28735. 31281. 29850(180) 0.0000319 28719. 30373. 29620(170) 0.0000330 28704. 29939. 29550(170) 0.0000338 28689. 29898. 30190(180) 0.0000327 28674. 30218. 31260(180) 0.0000323 28659. 30987. 32410(180) 0.0000305 28644. 32351. 33830(180) 0.0000299 28629. 34367. 36060(190) 0.0000277 28614. 36835. 39000(200) 0.0000260 28599. 39193. 40200(200) 0.0000255 28584. 40474. 40180(210) 0.0000238 28569. 39949. 38380(190) 0.0000266 28554. 37743. 35400(190) 0.0000286 28539. 34928. 32730(180) 0.0000309 28524. 32487. 30610(180) 0.0000327 28509. 30925. 29590(170) 0.0000342 28494. 30096. 29130(170) 0.0000346 28480. 29715. 29280(170) 0.0000342 28465. 29544. 29520(170) 0.0000338 28450. 29455. 29420(170) 0.0000330 28435. 29410. 29550(170) 0.0000359 28421. 29418. 29480(170) 0.0000330 28406. 29535. 29690(170) 0.0000338 28391. 29803. 30190(170) 0.0000330 28377. 30164. 30280(170) 0.0000330 28362. 30476. 30610(180) 0.0000323 28347. 30483. 30530(170) 0.0000330 28333. 30172. 29750(170) 0.0000330 28318. 29628. 29460(170) 0.0000338 28304. 29219. 29080(170) 0.0000338 28289. 29012. 28900(170) 0.0000342 28275. 28999. 29330(180) 0.0000327 28261. 29085. 29220(180) 0.0000327 28246. 29166. 29410(170) 0.0000334 28232. 29127. 29110(170) 0.0000342 28217. 28946. 29330(170) 0.0000338 28203. 28722. 28600(170) 0.0000346 28189. 28524. 28400(170) 0.0000350 28174. 28397. 28080(170) 0.0000359 28160. 28326. 28740(170) 0.0000346 28146. 28297. 28350(170) 0.0000350 28131. 28309. 28460(170) 0.0000354 28117. 28349. 28590(170) 0.0000350 28103. 28441. 28630(170) 0.0000350 28089. 28617. 29140(170) 0.0000350 28075. 28871. 29470(170) 0.0000338 28060. 29163. 29260(170) 0.0000342 28046. 29399. 29410(170) 0.0000342 28032. 29474. 29510(170) 0.0000342 28018. 29379. 29600(170) 0.0000338 28004. 29261. 29540(170) 0.0000338 27990. 29266. 29280(170) 0.0000346 27976. 29439. 30020(170) 0.0000334 27962. 29701. 29970(170) 0.0000334 27948. 29970. 30500(170) 0.0000330 27934. 30230. 30950(180) 0.0000323 27920. 30607. 31090(180) 0.0000319 27906. 31089. 31520(180) 0.0000316 27892. 31565. 31900(180) 0.0000312 27878. 31771. 31790(180) 0.0000312 27864. 31581. 31040(180) 0.0000319 27850. 30988. 30220(180) 0.0000327 27836. 30221. 29410(170) 0.0000338 27822. 29541. 29080(180) 0.0000327 27808. 29070. 28770(180) 0.0000323 27794. 28814. 28730(170) 0.0000367 27780. 28799. 29270(180) 0.0000327 27766. 29069. 30010(170) 0.0000330 27753. 29696. 30890(180) 0.0000323 27739. 30692. 31630(180) 0.0000316 27725. 31904. 32640(180) 0.0000309 27711. 33005. 33690(180) 0.0000295 27697. 33555. 33720(190) 0.0000292 27683. 33508. 33070(180) 0.0000319 27670. 32999. 32490(180) 0.0000312 27656. 32322. 31720(180) 0.0000295 27642. 31724. 31240(170) 0.0000334 27628. 31138. 30310(170) 0.0000334 27615. 30390. 29680(170) 0.0000334 27601. 29563. 28730(170) 0.0000354 27587. 28885. 28170(170) 0.0000354 27573. 28471. 28400(170) 0.0000354 27560. 28281. 28270(170) 0.0000354 27546. 28298. 28890(170) 0.0000350 27532. 28517. 29000(170) 0.0000346 27519. 28941. 29980(170) 0.0000334 27505. 29515. 30090(170) 0.0000338 27491. 30070. 30710(180) 0.0000327 27478. 30335. 30940(180) 0.0000327 27464. 30253. 30510(170) 0.0000330 27450. 30065. 30450(180) 0.0000327 27437. 30178. 30800(180) 0.0000327 27423. 30669. 31470(180) 0.0000316 27409. 31354. 32050(180) 0.0000309 27396. 31855. 32200(180) 0.0000309 27382. 31976. 31870(180) 0.0000302 27368. 31759. 31310(180) 0.0000309 27355. 31355. 30540(180) 0.0000323 27341. 30736. 29750(170) 0.0000338 27328. 29908. 29360(170) 0.0000338 27314. 29138. 28970(170) 0.0000346 27300. 28653. 28260(170) 0.0000359 27287. 28493. 28290(170) 0.0000354 27273. 28563. 28640(170) 0.0000350 27260. 28677. 28740(170) 0.0000354 27246. 28700. 28460(170) 0.0000354 27232. 28648. 28370(170) 0.0000354 27219. 28584. 28260(170) 0.0000359 27205. 28499. 28230(170) 0.0000359 27192. 28399. 28310(170) 0.0000354 27178. 28355. 28530(170) 0.0000354 27165. 28402. 28550(170) 0.0000354 27151. 28523. 28730(170) 0.0000350 27137. 28610. 28410(170) 0.0000359 27124. 28611. 28820(170) 0.0000346 27110. 28486. 28460(170) 0.0000359 27097. 28326. 28630(170) 0.0000359 27083. 28269. 28620(170) 0.0000350 27070. 28385. 28760(170) 0.0000354 27056. 28603. 29120(170) 0.0000350 27043. 28767. 29080(170) 0.0000346 27029. 28790. 28930(170) 0.0000350 27015. 28736. 28790(170) 0.0000350 27002. 28604. 28500(170) 0.0000354 26988. 28385. 28230(170) 0.0000354 26975. 28135. 27970(170) 0.0000359 26961. 27990. 27860(170) 0.0000354 26948. 28026. 28250(170) 0.0000342 26934. 28204. 28420(170) 0.0000338 26921. 28347. 28130(170) 0.0000354 26907. 28271. 27910(170) 0.0000359 26894. 27962. 27760(170) 0.0000363 26880. 27590. 27250(170) 0.0000367 26866. 27308. 27140(160) 0.0000376 26853. 27147. 27160(160) 0.0000372 26839. 27085. 27200(160) 0.0000372 26826. 27097. 27200(160) 0.0000372 26812. 27173. 27570(170) 0.0000367 26799. 27328. 27570(170) 0.0000367 26785. 27513. 27410(170) 0.0000367 26771. 27659. 27570(170) 0.0000367 26758. 27662. 27740(170) 0.0000363 26744. 27486. 27360(170) 0.0000367 26731. 27243. 27230(160) 0.0000372 26717. 27048. 26990(160) 0.0000376 26704. 26925. 27100(160) 0.0000372 26690. 26864. 27020(160) 0.0000376 26676. 26864. 27030(160) 0.0000372 26663. 26923. 27060(160) 0.0000376 26649. 27047. 27350(170) 0.0000367 26636. 27208. 27210(170) 0.0000367 26622. 27388. 27370(160) 0.0000372 26608. 27534. 27650(170) 0.0000363 26595. 27684. 27810(170) 0.0000363 26581. 27873. 28040(170) 0.0000359 26568. 28053. 28300(170) 0.0000354 26554. 28108. 27920(170) 0.0000354 26540. 28036. 27840(170) 0.0000359 26527. 27906. 27950(170) 0.0000359 26513. 27835. 27550(170) 0.0000350 26499. 27866. 27820(170) 0.0000346 26486. 27954. 27870(170) 0.0000350 26472. 28055. 28310(170) 0.0000350 26458. 28253. 28690(170) 0.0000346 26445. 28621. 29620(170) 0.0000338 26431. 29083. 29600(170) 0.0000342 26417. 29446. 29660(170) 0.0000338 26404. 29578. 29650(170) 0.0000338 26390. 29472. 29510(170) 0.0000342 26376. 29271. 29270(170) 0.0000342 26363. 29100. 29010(170) 0.0000346 26349. 29188. 29800(170) 0.0000338 26335. 29614. 30270(170) 0.0000334 26322. 30207. 30490(170) 0.0000330 26308. 30386. 29990(170) 0.0000334 26294. 29866. 28790(170) 0.0000350 26280. 28976. 27730(170) 0.0000363 26267. 28236. 27700(170) 0.0000363 26253. 27896. 27840(170) 0.0000359 26239. 27990. 28500(170) 0.0000354 26225. 28461. 28990(170) 0.0000350 26212. 29120. 29810(170) 0.0000338 26198. 29686. 30310(170) 0.0000334 26184. 30045. 30910(180) 0.0000327 26170. 30564. 31650(180) 0.0000319 26156. 31502. 32860(180) 0.0000302 26143. 32715. 33470(180) 0.0000299 26129. 33602. 33800(180) 0.0000295 26115. 33977. 33890(180) 0.0000295 26101. 33969. 33320(180) 0.0000299 26087. 33455. 32550(180) 0.0000302 26073. 32322. 31320(180) 0.0000305 26060. 31151. 30510(180) 0.0000316 26046. 30484. 30180(180) 0.0000327 26032. 30265. 29790(170) 0.0000334 26018. 30011. 29290(170) 0.0000342 26004. 29384. 28340(170) 0.0000359 25990. 28695. 28380(170) 0.0000350 25976. 28422. 28270(170) 0.0000354 25962. 28662. 29110(170) 0.0000354 25948. 29210. 29410(170) 0.0000338 25934. 29596. 29330(170) 0.0000342 25921. 29449. 29250(170) 0.0000346 25907. 29042. 28940(170) 0.0000350 25893. 28768. 28980(170) 0.0000350 25879. 28565. 28580(170) 0.0000354 25865. 28296. 28770(170) 0.0000350 25851. 28129. 29020(170) 0.0000350 25837. 28378. 29530(170) 0.0000346 25823. 28982. 29620(170) 0.0000342 25809. 29567. 29960(170) 0.0000338 25795. 29812. 29870(170) 0.0000342 25781. 29859. 29390(170) 0.0000346 25766. 29844. 29020(170) 0.0000346 25752. 29557. 28730(170) 0.0000363 25738. 29178. 28650(170) 0.0000338 25724. 29083. 29030(170) 0.0000354 25710. 29267. 29170(170) 0.0000350 25696. 29304. 28680(170) 0.0000354 25682. 28895. 28030(170) 0.0000359 25668. 28264. 27770(170) 0.0000363 25654. 27738. 27280(170) 0.0000367 25640. 27443. 27120(170) 0.0000363 25625. 27451. 27620(170) 0.0000354 25611. 27654. 27610(170) 0.0000350 25597. 27859. 27810(170) 0.0000354 25583. 27842. 27410(170) 0.0000367 25569. 27455. 26980(160) 0.0000372 25554. 26950. 26720(160) 0.0000376 25540. 26570. 26560(160) 0.0000376 25526. 26339. 26240(160) 0.0000386 25512. 26215. 26530(160) 0.0000376 25498. 26097. 26030(160) 0.0000391 25483. 26012. 26280(160) 0.0000381 25469. 26014. 26370(160) 0.0000386 25455. 26139. 26460(160) 0.0000381 25440. 26447. 26930(160) 0.0000376 25426. 26834. 26870(160) 0.0000376 25412. 27102. 27140(160) 0.0000372 25397. 27148. 26970(160) 0.0000376 25383. 27018. 26600(160) 0.0000381 25369. 26765. 26530(160) 0.0000376 25354. 26543. 26570(160) 0.0000381 25340. 26492. 26530(160) 0.0000381 25326. 26609. 26580(160) 0.0000381 25311. 26713. 26400(160) 0.0000381 25297. 26616. 26300(160) 0.0000381 25282. 26306. 25850(160) 0.0000391 25268. 25969. 25560(160) 0.0000396 25254. 25737. 25500(160) 0.0000396 25239. 25646. 25500(160) 0.0000396 25225. 25686. 26040(160) 0.0000386 25210. 25833. 25870(160) 0.0000386 25196. 26020. 26010(160) 0.0000386 25181. 26148. 26140(160) 0.0000376 25167. 26192. 26320(170) 0.0000367 25152. 26273. 26180(170) 0.0000367 25138. 26471. 26570(160) 0.0000372 25123. 26716. 26620(160) 0.0000376 25109. 26919. 26500(160) 0.0000376 25094. 27058. 27300(170) 0.0000367 25079. 27246. 27560(170) 0.0000363 25065. 27641. 28290(170) 0.0000359 25050. 28335. 29280(170) 0.0000346 25036. 29131. 30050(170) 0.0000338 25021. 29541. 29250(170) 0.0000346 25006. 29253. 28160(170) 0.0000359 24992. 28523. 27340(160) 0.0000372 24977. 27816. 26800(160) 0.0000381 24962. 27295. 26800(160) 0.0000376 24948. 26947. 26700(160) 0.0000376 24933. 26854. 27110(160) 0.0000376 24918. 27178. 28010(170) 0.0000363 24904. 27869. 28710(170) 0.0000350 24889. 28518. 28640(170) 0.0000354 24874. 28543. 27980(170) 0.0000363 24859. 27971. 27070(160) 0.0000372 24845. 27259. 26530(160) 0.0000381 24830. 26764. 26420(160) 0.0000381 24815. 26650. 26530(160) 0.0000381 24800. 26830. 26980(160) 0.0000372 24785. 27199. 27600(170) 0.0000363 24770. 27572. 27900(170) 0.0000363 24756. 27862. 28160(170) 0.0000354 24741. 28204. 28150(170) 0.0000354 24726. 28459. 27970(170) 0.0000359 24711. 28344. 27530(170) 0.0000359 24696. 27896. 27000(170) 0.0000350 24681. 27302. 26330(160) 0.0000386 24666. 26775. 26390(170) 0.0000363 24651. 26481. 26370(160) 0.0000381 24636. 26449. 26420(160) 0.0000372 24622. 26690. 26810(160) 0.0000372 24607. 27064. 27300(170) 0.0000367 24592. 27404. 27370(160) 0.0000372 24577. 27558. 27150(170) 0.0000367 24562. 27580. 27060(160) 0.0000372 24547. 27573. 27420(170) 0.0000367 24532. 27630. 27490(170) 0.0000363 24517. 27703. 27910(170) 0.0000363 24502. 27761. 27430(170) 0.0000367 24486. 27847. 27740(170) 0.0000363 24471. 27812. 27640(170) 0.0000367 24456. 27856. 28040(170) 0.0000359 24441. 28419. 28990(170) 0.0000350 24426. 29516. 30120(170) 0.0000338 24411. 30725. 31150(180) 0.0000327 24396. 31549. 31010(180) 0.0000327 24381. 31556. 30650(170) 0.0000330 24366. 30901. 29840(170) 0.0000338 24350. 29951. 28680(170) 0.0000346 24335. 28874. 28000(170) 0.0000359 24320. 27936. 27320(170) 0.0000367 24305. 27253. 26730(160) 0.0000376 24290. 26685. 26140(160) 0.0000386 24274. 26208. 25760(160) 0.0000386 24259. 25865. 25530(160) 0.0000391 24244. 25558. 25210(160) 0.0000396 24229. 25254. 24810(160) 0.0000396 24214. 25042. 24890(160) 0.0000386 24198. 24924. 24770(160) 0.0000386 24183. 24840. 24790(160) 0.0000396 24168. 24778. 24520(160) 0.0000406 24152. 24786. 24650(160) 0.0000406 24137. 24838. 24850(160) 0.0000401 24122. 24932. 25120(160) 0.0000401 24106. 25095. 25210(160) 0.0000401 24091. 25360. 25850(160) 0.0000386 24076. 25788. 26460(160) 0.0000381 24060. 26340. 27140(160) 0.0000372 24045. 26918. 27950(170) 0.0000363 24029. 27454. 27800(170) 0.0000363 24014. 27750. 27520(170) 0.0000367 23999. 27473. 26700(160) 0.0000381 23983. 26870. 26170(160) 0.0000386 23968. 26443. 26060(160) 0.0000391 23952. 26369. 26630(160) 0.0000381 23937. 26539. 26760(160) 0.0000381 23921. 26670. 26380(160) 0.0000386 23906. 26473. 25930(160) 0.0000391 23890. 26005. 25360(160) 0.0000401 23875. 25651. 25410(160) 0.0000396 23859. 25528. 25800(160) 0.0000391 23844. 25533. 25840(160) 0.0000391 23828. 25630. 25880(160) 0.0000391 23813. 25840. 25930(160) 0.0000391 23797. 26040. 26060(160) 0.0000386 23782. 26126. 26110(160) 0.0000386 23766. 26213. 26350(160) 0.0000381 23751. 26330. 26420(160) 0.0000381 23735. 26381. 26040(160) 0.0000381 23719. 26170. 25800(160) 0.0000376 23704. 25720. 25240(160) 0.0000376 23688. 25281. 24990(160) 0.0000396 23672. 25018. 24840(160) 0.0000401 23657. 24912. 25060(160) 0.0000401 23641. 24888. 25090(160) 0.0000396 23625. 24905. 25170(160) 0.0000401 23610. 24954. 25240(160) 0.0000401 23594. 25060. 25260(160) 0.0000391 23578. 25110. 25080(160) 0.0000406 23563. 25082. 25160(160) 0.0000401 23547. 25046. 24970(160) 0.0000401 23531. 24979. 24570(160) 0.0000411 23516. 24812. 24310(160) 0.0000416 23500. 24575. 24410(160) 0.0000416 23484. 24380. 24330(160) 0.0000411 23468. 24225. 24440(160) 0.0000416 23453. 24121. 24520(160) 0.0000411 23437. 24142. 24560(160) 0.0000411 23421. 24311. 24670(160) 0.0000411 23405. 24588. 24910(160) 0.0000406 23389. 24939. 25350(160) 0.0000396 23374. 25343. 25620(160) 0.0000396 23358. 25679. 25520(160) 0.0000396 23342. 25614. 25340(160) 0.0000396 23326. 25259. 25060(160) 0.0000401 23310. 25038. 25160(160) 0.0000401 23294. 25116. 25350(160) 0.0000396 23278. 25272. 25400(160) 0.0000396 23263. 25257. 25220(160) 0.0000396 23247. 25048. 25060(160) 0.0000401 23231. 24800. 24790(160) 0.0000406 23215. 24657. 24710(160) 0.0000391 23199. 24597. 24680(160) 0.0000391 23183. 24523. 24540(160) 0.0000401 23167. 24447. 24600(160) 0.0000406 23151. 24422. 24530(160) 0.0000411 23135. 24491. 24500(160) 0.0000411 23119. 24610. 24480(160) 0.0000411 23103. 24718. 24450(160) 0.0000411 23087. 24717. 24470(160) 0.0000416 23071. 24758. 24830(160) 0.0000406 23055. 25060. 25470(160) 0.0000396 23040. 25650. 26220(160) 0.0000386 23024. 26187. 26200(160) 0.0000386 23008. 26242. 25630(160) 0.0000396 22992. 25877. 25360(160) 0.0000396 22976. 25466. 25460(160) 0.0000401 22959. 25324. 25800(160) 0.0000391 22943. 25575. 25990(160) 0.0000391 22927. 25998. 26460(160) 0.0000381 22911. 26209. 25960(160) 0.0000391 22895. 26053. 25970(160) 0.0000391 22879. 25878. 26130(160) 0.0000391 22863. 26044. 26500(160) 0.0000381 22847. 26453. 26620(160) 0.0000381 22831. 26720. 26250(160) 0.0000386 22815. 26386. 25520(160) 0.0000396 22799. 25693. 24970(160) 0.0000401 22783. 25238. 24990(160) 0.0000406 22767. 25070. 24910(160) 0.0000406 22751. 24906. 24650(160) 0.0000406 22735. 24679. 24470(160) 0.0000411 22718. 24555. 24290(160) 0.0000411 22702. 24482. 24120(160) 0.0000401 22686. 24359. 24240(160) 0.0000396 22670. 24216. 24320(160) 0.0000406 22654. 24183. 24450(160) 0.0000406 22638. 24313. 24500(160) 0.0000411 22622. 24582. 24770(160) 0.0000406 22605. 24966. 25380(160) 0.0000401 22589. 25296. 25580(160) 0.0000396 22573. 25398. 25530(160) 0.0000396 22557. 25336. 25390(160) 0.0000401 22541. 25284. 25030(160) 0.0000406 22525. 25151. 25040(160) 0.0000401 22508. 24932. 24690(160) 0.0000411 22492. 24781. 24950(160) 0.0000406 22476. 24760. 24750(160) 0.0000411 22460. 24802. 24860(160) 0.0000406 22444. 24849. 24920(160) 0.0000406 22427. 24971. 25520(160) 0.0000401 22411. 25133. 25450(160) 0.0000396 22395. 25046. 24830(160) 0.0000406 22379. 24697. 24110(150) 0.0000422 22363. 24199. 23590(150) 0.0000427 22346. 23709. 23200(150) 0.0000433 22330. 23420. 23360(150) 0.0000433 22314. 23382. 23450(150) 0.0000427 22298. 23540. 23680(150) 0.0000427 22282. 23786. 23970(160) 0.0000416 22265. 24066. 24300(160) 0.0000411 22249. 24328. 24590(160) 0.0000411 22233. 24498. 24750(160) 0.0000401 22217. 24622. 25020(160) 0.0000396 22200. 24690. 24890(160) 0.0000401 22184. 24618. 24350(160) 0.0000391 22168. 24329. 24030(160) 0.0000401 22152. 23963. 23470(150) 0.0000422 22135. 23680. 23330(150) 0.0000427 22119. 23467. 23220(150) 0.0000433 22103. 23408. 23400(150) 0.0000427 22086. 23529. 23690(150) 0.0000427 22070. 23676. 23920(150) 0.0000422 22054. 23780. 23970(150) 0.0000422 22038. 23871. 24170(160) 0.0000416 22021. 23935. 24200(160) 0.0000416 22005. 24069. 24650(160) 0.0000406 21989. 24357. 25290(160) 0.0000406 21973. 24781. 25410(160) 0.0000396 21956. 25306. 25630(160) 0.0000391 21940. 25610. 25270(160) 0.0000401 21924. 25630. 25670(160) 0.0000396 21907. 25728. 26010(160) 0.0000391 21891. 25999. 26620(160) 0.0000381 21875. 26418. 27150(160) 0.0000372 21859. 26757. 26890(160) 0.0000381 21842. 26660. 26380(160) 0.0000381 21826. 26415. 26050(160) 0.0000386 21810. 26013. 25650(160) 0.0000396 21793. 25474. 25130(160) 0.0000406 21777. 25109. 24830(160) 0.0000406 21761. 24900. 24740(160) 0.0000411 21744. 24771. 24700(160) 0.0000411 21728. 24788. 24840(160) 0.0000406 21712. 24698. 24590(160) 0.0000411 21696. 24340. 23750(150) 0.0000422 21679. 23776. 23160(150) 0.0000427 21663. 23277. 22760(150) 0.0000427 21647. 23005. 22680(150) 0.0000427 21630. 22885. 22740(150) 0.0000439 21614. 22860. 22900(150) 0.0000439 21598. 22929. 23010(150) 0.0000439 21582. 23064. 23630(150) 0.0000427 21565. 23372. 24160(150) 0.0000422 21549. 23860. 24480(160) 0.0000416 21533. 24360. 24160(160) 0.0000416 21516. 24597. 24140(150) 0.0000422 21500. 24531. 24430(160) 0.0000416 21484. 24622. 25110(160) 0.0000401 21468. 25038. 25480(160) 0.0000401 21451. 25411. 25470(160) 0.0000401 21435. 25331. 25420(160) 0.0000401 21419. 25120. 25210(160) 0.0000401 21403. 25058. 24930(160) 0.0000411 21386. 24957. 24790(160) 0.0000411 21370. 24635. 24270(150) 0.0000422 21354. 24165. 24000(150) 0.0000422 21338. 23882. 24230(150) 0.0000422 21321. 23918. 24800(160) 0.0000411 21305. 24209. 25240(160) 0.0000401 21289. 24520. 25430(160) 0.0000401 21273. 24729. 25020(160) 0.0000411 21256. 24664. 24570(160) 0.0000411 21240. 24307. 24190(160) 0.0000416 21224. 23973. 23640(150) 0.0000427 21208. 23806. 23490(150) 0.0000433 21191. 23741. 23560(150) 0.0000433 21175. 23733. 23640(150) 0.0000427 21159. 23844. 23800(150) 0.0000422 21143. 23934. 23920(160) 0.0000416 21126. 23923. 24240(160) 0.0000396 21110. 23970. 24390(160) 0.0000406 21094. 24049. 24160(160) 0.0000411 21078. 24129. 24500(150) 0.0000444 21062. 24114. 24480(150) 0.0000444 21045. 24040. 24170(170) 0.0000363 21029. 23929. 23760(180) 0.0000327 21013. 23723. 23650(160) 0.0000386 20997. 23519. 23490(140) 0.0000489 20981. 23303. 23130(150) 0.0000463 20965. 23063. 22560(150) 0.0000457 20948. 22895. 22590(150) 0.0000450 20932. 22802. 23100(150) 0.0000444 20916. 22883. 23540(150) 0.0000433 20900. 23224. 23800(150) 0.0000427 20884. 23696. 24150(150) 0.0000422 20868. 24053. 24100(150) 0.0000422 20852. 24239. 24490(160) 0.0000411 20835. 24430. 24810(160) 0.0000411 20819. 24610. 24380(160) 0.0000416 20803. 24609. 24120(150) 0.0000422 20787. 24393. 23970(150) 0.0000422 20771. 24112. 23950(150) 0.0000427 20755. 23972. 24660(160) 0.0000411 20739. 24112. 25130(160) 0.0000401 20723. 24609. 25370(160) 0.0000396 20707. 25244. 25490(160) 0.0000396 20691. 25630. 25760(160) 0.0000391 20675. 25954. 26210(160) 0.0000381 20659. 26508. 26630(160) 0.0000372 20643. 26994. 27080(170) 0.0000367 20627. 27138. 27130(170) 0.0000354 20611. 26828. 26900(170) 0.0000359 20595. 26234. 26200(160) 0.0000376 20579. 25590. 25470(160) 0.0000396 20563. 25020. 24610(160) 0.0000411 20547. 24524. 24030(160) 0.0000416 20531. 24078. 24280(160) 0.0000416 20515. 23969. 24260(150) 0.0000422 20499. 24078. 24060(150) 0.0000422 20483. 24095. 23530(150) 0.0000433 20467. 23770. 23020(150) 0.0000444 20451. 23192. 22430(150) 0.0000457 20435. 22592. 22180(150) 0.0000457 20419. 22129. 21870(150) 0.0000463 20403. 21945. 22300(150) 0.0000457 20387. 22092. 22740(150) 0.0000444 20371. 22501. 23440(150) 0.0000439 20355. 22941. 23450(150) 0.0000439 20339. 23197. 23520(150) 0.0000433 20324. 23326. 23700(150) 0.0000427 20308. 23464. 24010(150) 0.0000427 20292. 23725. 24590(160) 0.0000416 20276. 24094. 24260(150) 0.0000422 20260. 24164. 23750(150) 0.0000427 20244. 23757. 23300(150) 0.0000439 20229. 23385. 23300(150) 0.0000439 20213. 23338. 23650(150) 0.0000427 20197. 23482. 23590(150) 0.0000433 20181. 23357. 23180(150) 0.0000433 20166. 22904. 22640(150) 0.0000444 20150. 22438. 22360(150) 0.0000450 20134. 22226. 22360(150) 0.0000444 20118. 22381. 22450(150) 0.0000433 20103. 22650. 22680(150) 0.0000427 20087. 22661. 22500(150) 0.0000444 20071. 22507. 22320(150) 0.0000450 20056. 22373. 22440(150) 0.0000450 20040. 22261. 22440(150) 0.0000457 20024. 22143. 22170(150) 0.0000463 20009. 22000. 21970(150) 0.0000463 19993. 21840. 21700(150) 0.0000476 19977. 21715. 21690(150) 0.0000469 19962. 21587. 21580(150) 0.0000476 19946. 21396. 21390(140) 0.0000482 19931. 21213. 21490(150) 0.0000476 19915. 21142. 21490(150) 0.0000476 19900. 21239. 21590(150) 0.0000469 19884. 21475. 22010(150) 0.0000463 19868. 21676. 22000(150) 0.0000463 19853. 21703. 21700(150) 0.0000476 19837. 21624. 21500(150) 0.0000476 19822. 21506. 21350(150) 0.0000476 19806. 21428. 21280(140) 0.0000482 19791. 21450. 21400(140) 0.0000482 19776. 21471. 21410(150) 0.0000476 19760. 21364. 21150(140) 0.0000489 19745. 21125. 21130(140) 0.0000482 19729. 20916. 21100(140) 0.0000489 19714. 20857. 21040(140) 0.0000489 19699. 20902. 21030(140) 0.0000533 19683. 20981. 21060(170) 0.0000338 19668. 21027. 21260(160) 0.0000401 19653. 21041. 21290(140) 0.0000525 19637. 21001. 20960(140) 0.0000541 19622. 20927. 20950(180) 0.0000327 19607. 20875. 20840(160) 0.0000401 19591. 20854. 20740(140) 0.0000489 19576. 20860. 20830(140) 0.0000482 19561. 20870. 21050(140) 0.0000482 19546. 20903. 21240(150) 0.0000476 19530. 21051. 21320(140) 0.0000482 19515. 21262. 21180(150) 0.0000476 19500. 21332. 20870(140) 0.0000482 19485. 21159. 20570(140) 0.0000496 19470. 20954. 20670(140) 0.0000496 19455. 20906. 20680(140) 0.0000489 19440. 21025. 21120(140) 0.0000482 19424. 21233. 21520(150) 0.0000476 19409. 21342. 21370(150) 0.0000476 19394. 21194. 21040(140) 0.0000482 19379. 20931. 20820(140) 0.0000489 19364. 20727. 20740(140) 0.0000496 19349. 20626. 20710(140) 0.0000489 19334. 20573. 20400(140) 0.0000496 19319. 20502. 20270(140) 0.0000503 19304. 20407. 20350(140) 0.0000503 19289. 20363. 20680(140) 0.0000496 19274. 20428. 20890(140) 0.0000482 19260. 20615. 21150(140) 0.0000482 19245. 20894. 21050(140) 0.0000482 19230. 21060. 20680(140) 0.0000489 19215. 20946. 20410(140) 0.0000496 19200. 20609. 20200(140) 0.0000503 19185. 20261. 20190(140) 0.0000496 19170. 20017. 20120(140) 0.0000503 19156. 19861. 19660(140) 0.0000510 19141. 19795. 19700(140) 0.0000496 19126. 19792. 20100(140) 0.0000482 19111. 19849. 20370(140) 0.0000482 19097. 19976. 20550(140) 0.0000489 19082. 20224. 20770(140) 0.0000482 19067. 20570. 20710(140) 0.0000482 19053. 20843. 20960(140) 0.0000482 19038. 20940. 20920(140) 0.0000482 19024. 20835. 20820(140) 0.0000482 19009. 20619. 20660(140) 0.0000489 18994. 20432. 20270(140) 0.0000503 18980. 20352. 20460(140) 0.0000496 18965. 20450. 20730(140) 0.0000489 18951. 20670. 20720(140) 0.0000489 18936. 20783. 20670(140) 0.0000489 18922. 20655. 20730(140) 0.0000489 18907. 20473. 20630(140) 0.0000489 18893. 20399. 20690(140) 0.0000489 18879. 20442. 20600(140) 0.0000489 18864. 20545. 20430(140) 0.0000496 18850. 20591. 20260(140) 0.0000496 18835. 20490. 19950(140) 0.0000510 18821. 20250. 19780(140) 0.0000510 18807. 20003. 19730(140) 0.0000518 18793. 19825. 19780(140) 0.0000518 18778. 19738. 19820(140) 0.0000510 18764. 19692. 19640(140) 0.0000510 18750. 19610. 19440(140) 0.0000518 18736. 19495. 19380(140) 0.0000518 18721. 19395. 19300(140) 0.0000518 18707. 19351. 19450(140) 0.0000518 18693. 19345. 19660(140) 0.0000503 18679. 19368. 19280(140) 0.0000503 18665. 19420. 19350(140) 0.0000503 18651. 19536. 19780(140) 0.0000503 18637. 19697. 19700(140) 0.0000510 18623. 19813. 19770(140) 0.0000503 18609. 19818. 19750(140) 0.0000510 18595. 19708. 19520(140) 0.0000518 18581. 19591. 19380(140) 0.0000525 18567. 19523. 19270(140) 0.0000525 18553. 19506. 19270(140) 0.0000525 18539. 19518. 19250(140) 0.0000525 18525. 19528. 19390(140) 0.0000525 18511. 19534. 19320(140) 0.0000525 18498. 19537. 19320(140) 0.0000525 18484. 19499. 19380(140) 0.0000525 18470. 19426. 19170(140) 0.0000525 18456. 19423. 19320(140) 0.0000525 18443. 19525. 19450(140) 0.0000525 18429. 19678. 19460(140) 0.0000525 18415. 19755. 19550(140) 0.0000518 18402. 19708. 19470(140) 0.0000525 18388. 19581. 19530(140) 0.0000525 18374. 19528. 19720(140) 0.0000518 18361. 19661. 19960(140) 0.0000510 18347. 19930. 19920(140) 0.0000510 18334. 20133. 19690(140) 0.0000518 18320. 20144. 19530(140) 0.0000518 18307. 20015. 19450(140) 0.0000525 18293. 19877. 19440(140) 0.0000518 18280. 19811. 19570(140) 0.0000518 18266. 19789. 19530(140) 0.0000518 18253. 19761. 19540(140) 0.0000510 18240. 19708. 19590(140) 0.0000496 18226. 19631. 19660(140) 0.0000489 18213. 19529. 19450(140) 0.0000503 18200. 19429. 19320(140) 0.0000518 18186. 19372. 19290(140) 0.0000518 18173. 19329. 19160(140) 0.0000525 18160. 19282. 19170(140) 0.0000525 18147. 19262. 19260(140) 0.0000510 18134. 19262. 19180(140) 0.0000549 18120. 19268. 19310(140) 0.0000525 18107. 19205. 19100(140) 0.0000525 18094. 19086. 18990(140) 0.0000533 18081. 19017. 18950(140) 0.0000541 18068. 19030. 19020(140) 0.0000541 18055. 19093. 19230(140) 0.0000518 18042. 19149. 19320(140) 0.0000541 18029. 19214. 19230(140) 0.0000533 18016. 19283. 19220(140) 0.0000525 18003. 19329. 19270(140) 0.0000525 17990. 19313. 18960(140) 0.0000533 17978. 19247. 18840(140) 0.0000541 17965. 19152. 18900(140) 0.0000541 17952. 19073. 18760(140) 0.0000541 17939. 19031. 18770(140) 0.0000541 17926. 19010. 18840(140) 0.0000541 17914. 19010. 18880(140) 0.0000533 17901. 19034. 18920(140) 0.0000541 17888. 19099. 19010(140) 0.0000533 17876. 19217. 19120(140) 0.0000525 17863. 19331. 19190(140) 0.0000525 17851. 19356. 18980(140) 0.0000525 17838. 19268. 18880(140) 0.0000533 17825. 19105. 18820(140) 0.0000518 17813. 18911. 18740(140) 0.0000518 17800. 18763. 18580(140) 0.0000525 17788. 18706. 18820(140) 0.0000533 17776. 18727. 18970(140) 0.0000533 17763. 18786. 19050(140) 0.0000525 17751. 18823. 19170(140) 0.0000525 17738. 18881. 19060(140) 0.0000533 17726. 19058. 18960(140) 0.0000533 17714. 19327. 19240(140) 0.0000525 17702. 19498. 19170(140) 0.0000533 17689. 19442. 18770(140) 0.0000541 17677. 19222. 18700(140) 0.0000541 17665. 18969. 18880(140) 0.0000541 17653. 18790. 18730(140) 0.0000541 17641. 18694. 18590(140) 0.0000541 17629. 18624. 18480(140) 0.0000549 17617. 18541. 18440(130) 0.0000557 17605. 18482. 18360(130) 0.0000557 17593. 18461. 18100(130) 0.0000565 17581. 18453. 18250(130) 0.0000557 17569. 18459. 18500(140) 0.0000549 17557. 18495. 18550(140) 0.0000549 17545. 18572. 18540(140) 0.0000549 17533. 18644. 18560(140) 0.0000549 17521. 18661. 18660(140) 0.0000541 17509. 18622. 18810(140) 0.0000533 17498. 18533. 18680(140) 0.0000541 17486. 18422. 18400(140) 0.0000549 17474. 18318. 18180(130) 0.0000557 17463. 18215. 18080(130) 0.0000557 17451. 18137. 18070(140) 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0.0000650 14420. 15573. 15520(130) 0.0000640 14412. 15578. 15650(130) 0.0000640 14404. 15583. 15610(130) 0.0000640 14396. 15589. 15720(130) 0.0000640 14388. 15596. 15800(130) 0.0000630 14380. 15606. 15780(130) 0.0000630 14371. 15617. 15930(130) 0.0000630 14363. 15630. 16070(130) 0.0000620 14355. 15643. 15880(130) 0.0000630 14346. 15655. 15740(130) 0.0000640 14338. 15664. 15810(130) 0.0000630 14329. 15669. 15750(130) 0.0000630 14321. 15669. 15570(130) . . . 15510(120) . . . 15480(120) . . . 15560(130) . . . 15670(130) . . . 15600(130) . . . 15670(130) . . . 15560(130) . . . 15520(130) . . . 15410(120) . . . 15660(130) . . . 15680(130) . . . 15580(130) . . . 15540(130) . . . 15380(130) . . . 15300(120) . . . 15290(120) . . . 15250(120) . . . 15150(120) . . . 14990(120) . . . 14810(120) . . . 14810(120) . . . 14800(120) . . . 14630(120) . . . 14550(120) . . . 14450(120) . . . 14330(120) . . . 14260(120) . . . 14270(120) . . . 14200(120) . . . 13940(120) . . . 13920(120) . . . 13850(120) . . . 13630(120) . . . 13390(120) . . . 13200(110) . . . 13060(110) . . . 12920(110) . . . 12740(110) . . . 12560(110) . . . 12430(110) . . . 12460(110) . . . 12250(110) . . . 12060(110) . . . 11820(110) . . . 11700(110) . . . 11600(110) . . . 11520(110) . . . 11320(110) . . . 11040(110) . . . 10930(100) . . . 10780(100) . . . 10510(100) . . . 10330(100) . . . 10200(100) . . . 10060(100) . . . 9990(100) . . . 9860(98) . . . 9689(97) . . . 9479(98) . . . 9275(96) . . . 9085(95) . . . 8800(93) . . . 8537(92) . . . 8445(91) . . . 8340(91) . . . 8067(90) . . . 7762(88) . . . 7750(88) . . . 7503(86) . . . 7297(85) . . . 7190(85) . . . 6925(82) . . . 6762(81) . . . 6572(82) . . . 6413(80) . . . 6286(80) . . . 6212(80) . . . 6139(80) . . . 5971(78) . . . 5709(76) . . . 5503(74) . . . 5351(73) . . . 5233(72) . . . 5078(71) . . . 4903(70) . . . 4771(69) . . . 4685(68) . . . 4560(67) . . . 4369(65) . . . 4219(65) . . . 4071(66) . . . 3954(61) . . . 3853(62) . . . 3654(60) . . . 3526(59) . . . 3386(58) . . . 3208(56) . . . 3064(55) . . . 2944(54) . . . 2854(53) . . . 2769(52) . . . 2608(51) . . . 2433(49) . . . 2322(48) . . . 2167(46) . . . 2122(46) . . . 1987(45) . . . 1858(44) . . . 1754(43) . . . 1675(42) . . . 1551(40) . . . 1501(39) . . . 1448(38) . . . 1310(36) . . . 1202(35) . . . 1157(34) . . . 1127(34) . . . 1067(33) . . . 968(31) . . . 872(29) . . . 825(29) . . . 792(28) . . . 786(27) . . . 741(27) . . . 681(26) . . . 661(25) . . . 633(25) . . . 574(24) . . . 556(23) . . . 556(23) . . . 551(24) . . . 536(23) . . . 550(23) . . . 536(23) . . . 516(23) . . . 525(23) . . . 526(23) . . . 511(23) . . . 521(23) . . . 523(22) . . . 155(6) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . 0.0(10) . . . _pd_meas_number_of_points 1573 _pd_proc_number_of_points 1573 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 0 -1 1 o 2.415 1.864 180.00 5.86584 4.09 1 1 -1 1 o 11.225 11.553 108.83 5.55844 34.18 1 2 0 1 o 12.437 12.907 -97.22 5.52941 37.48 0 2 1 1 o 11.165 11.833 -73.24 5.46642 32.89 1 2 -1 1 o 38.977 40.709 13.95 4.86351 91.07 1 3 0 1 o 35.563 36.506 161.20 4.50724 71.49 0 3 1 1 o 50.506 51.251 46.59 4.47293 100.00 1 0 1 1 o 7.393 7.489 0.00 4.45315 7.26 0 4 0 1 o 0.654 0.751 167.14 4.34969 0.61 1 1 1 1 o 1.496 1.737 -12.49 4.31409 2.76 1 0 0 2 o 0.591 0.626 180.00 4.25352 4.03 1 3 -1 1 o 17.972 17.111 95.29 4.12415 30.31 1 2 1 1 o 9.433 7.587 1.87 3.96398 14.72 1 4 0 1 o 3.635 3.147 116.53 3.71780 5.00 0 4 1 1 o 11.075 9.833 116.77 3.69848 15.07 2 0 -1 1 o 22.920 21.047 0.00 3.60700 14.85 2 0 0 1 o 7.451 6.934 180.00 3.58117 4.76 1 0 -2 1 o 5.363 5.061 180.00 3.55479 3.38 1 3 1 1 o 10.088 9.696 -154.52 3.53205 12.54 2 1 -1 1 o 5.716 5.494 122.12 3.53190 7.11 0 0 2 1 o 10.592 10.282 180.00 3.51351 6.52 2 1 0 1 o 10.232 9.967 165.40 3.50764 12.55 1 4 -1 1 o 11.766 11.544 -162.78 3.49391 14.32 1 1 -2 1 o 2.738 2.705 -148.11 3.48284 3.31 0 1 2 1 o 2.673 2.678 -156.30 3.44398 3.16 1 0 -1 2 o 4.753 4.696 60.00 3.34231 20.17 1 0 1 2 o 1.831 1.808 -60.00 3.34231 7.77 2 2 -1 1 o 11.585 11.473 44.17 3.33195 12.85 2 2 0 1 o 35.146 34.755 -130.05 3.31155 38.52 1 2 -2 1 o 8.753 8.635 126.00 3.29066 9.47 0 2 2 1 o 29.320 29.256 141.91 3.25783 31.12 1 5 0 1 o 7.790 6.951 135.55 3.12991 7.65 0 5 1 1 o 21.230 18.900 79.43 3.11836 20.69 1 4 1 1 o 9.308 8.285 161.93 3.11163 9.03 2 3 -1 1 o 9.644 9.058 137.23 3.06293 9.08 2 3 0 1 o 35.356 33.877 94.19 3.04707 32.94 1 3 -2 1 o 14.169 13.809 -143.73 3.03077 13.06 0 3 2 1 o 34.137 33.882 -69.89 3.00506 30.96 1 5 -1 1 o 0.513 0.509 -176.59 2.99278 0.46 2 0 -2 1 o 26.274 28.066 180.00 2.93292 11.36 0 6 0 1 o 11.608 12.722 -139.37 2.89980 4.91 2 1 -2 1 o 4.139 4.509 -179.88 2.89212 3.48 2 0 1 1 o 2.470 2.689 0.00 2.89170 1.04 1 0 2 1 o 0.423 0.429 180.00 2.86459 0.17 2 1 1 1 o 10.362 10.188 -116.67 2.85257 8.49 1 1 2 1 o 16.180 14.980 -21.25 2.82653 13.03 2 2 -2 1 o 3.187 2.784 168.62 2.77922 2.48 2 4 -1 1 o 16.927 14.803 -173.87 2.77654 13.16 2 4 0 1 o 1.895 1.674 96.37 2.76470 1.46 1 4 -2 1 o 7.676 6.900 17.73 2.75251 5.87 2 2 1 1 o 4.117 3.759 55.31 2.74407 3.13 1 5 1 1 o 5.389 4.944 -49.30 2.74191 4.09 0 4 2 1 o 5.473 5.126 68.39 2.73321 4.13 1 2 2 1 o 0.624 0.603 122.20 2.72087 0.47 1 6 0 1 o 16.325 16.209 123.26 2.68786 11.92 0 6 1 1 o 7.802 7.683 89.99 2.68053 5.67 2 3 -2 1 o 0.933 0.796 -90.02 2.61728 0.65 1 6 -1 1 o 2.538 2.268 46.13 2.59950 1.74 2 3 1 1 o 16.635 14.666 178.68 2.58786 11.29 1 3 2 1 o 0.142 0.107 91.09 2.56837 0.09 2 5 -1 1 o 8.314 7.956 82.36 2.50433 5.30 2 5 0 1 o 2.675 2.680 26.13 2.49564 1.69 1 5 -2 1 o 0.822 0.831 43.50 2.48666 0.52 0 5 2 1 o 20.799 20.807 26.44 2.47240 12.93 3 0 -1 1 o 0.318 0.318 180.00 2.47199 0.10 1 1 0 2 o 2.175 2.206 -136.08 2.45577 5.08 3 1 -1 1 o 1.237 1.275 -140.03 2.44741 0.75 2 4 -2 1 o 6.544 6.860 93.16 2.43176 3.94 1 6 1 1 o 8.781 9.183 -64.89 2.43001 5.28 1 0 -3 1 o 1.460 1.518 180.00 2.42742 0.44 2 4 1 1 o 5.605 5.442 -37.31 2.40810 3.31 1 1 -3 1 o 12.567 12.080 -7.87 2.40413 7.41 1 4 2 1 o 34.226 32.551 -90.31 2.39238 19.98 3 0 0 1 o 0.797 0.759 180.00 2.38745 0.23 3 2 -1 1 o 27.969 26.829 125.77 2.37785 16.14 3 1 0 1 o 11.963 11.642 41.54 2.36528 6.83 1 7 0 1 o 6.470 6.420 -54.22 2.34816 3.65 0 7 1 1 o 14.521 14.532 -101.43 2.34327 8.15 0 0 3 1 o 37.155 37.263 180.00 2.34234 10.42 1 2 -3 1 o 42.355 42.958 -119.85 2.33810 23.67 0 1 3 1 o 3.672 3.951 143.58 2.32139 2.02 3 2 0 1 o 1.809 1.889 -141.42 2.30232 0.98 1 7 -1 1 o 43.952 43.761 -34.41 2.28856 23.58 1 0 2 2 o 0.291 0.285 -120.00 2.28067 0.59 1 0 -2 2 o 2.960 2.897 -60.00 2.28067 6.00 3 0 -2 1 o 3.142 3.075 0.00 2.28007 0.84 3 3 -1 1 o 0.509 0.497 163.48 2.27403 0.27 0 2 3 1 o 10.691 10.568 -61.32 2.26178 5.61 3 1 -2 1 o 0.161 0.159 162.40 2.26074 0.08 2 6 -1 1 o 68.297 67.689 140.32 2.26001 35.78 2 0 -3 1 o 22.879 22.743 0.00 2.25793 5.98 2 6 0 1 o 24.793 24.774 -61.50 2.25362 12.92 1 6 -2 1 o 23.289 23.365 87.00 2.24700 12.07 2 5 -2 1 o 14.972 15.014 -39.75 2.24260 7.73 1 3 -3 1 o 23.012 23.047 -16.91 2.23919 11.84 2 1 -3 1 o 6.285 6.295 127.06 2.23916 3.23 0 6 2 1 o 58.616 58.631 92.49 2.23646 30.10 1 1 1 2 o 1.376 1.375 -45.19 2.23573 5.37 2 0 2 1 o 20.065 20.040 180.00 2.22658 5.11 2 5 1 1 o 3.751 3.754 -36.78 2.22401 1.91 1 5 2 1 o 8.714 8.906 -179.49 2.21160 4.38 2 1 2 1 o 4.458 4.585 -146.94 2.20856 2.24 3 3 0 1 o 57.279 59.024 28.67 2.20770 28.70 3 2 -2 1 o 0.916 0.948 -75.05 2.20557 0.46 2 2 -3 1 o 2.579 2.716 22.47 2.18552 1.27 0 8 0 1 o 31.971 32.883 173.39 2.17485 7.79 0 3 3 1 o 32.837 33.404 178.51 2.17189 15.95 1 7 1 1 o 23.420 23.672 -131.65 2.17035 11.36 2 2 2 1 o 4.445 4.200 140.81 2.15704 2.13 3 4 -1 1 o 44.714 40.572 -92.26 2.14916 21.29 2 0 0 2 o 0.072 0.065 0.00 2.12676 0.13 3 3 -2 1 o 54.777 51.184 -165.66 2.12197 25.47 1 4 -3 1 o 19.225 18.263 97.95 2.11968 8.92 2 3 -3 1 o 66.734 70.611 -146.96 2.10409 30.53 3 0 1 1 o 0.300 0.327 180.00 2.09547 0.07 3 4 0 1 o 8.847 9.648 73.64 2.09291 4.01 1 8 0 1 o 5.204 5.573 -122.45 2.08102 2.33 3 1 1 1 o 25.177 26.935 -175.09 2.08043 11.28 2 3 2 1 o 27.930 29.798 -172.63 2.07865 12.49 0 8 1 1 o 12.091 12.882 -6.38 2.07762 5.40 1 0 3 1 o 17.594 18.620 180.00 2.06811 3.90 0 4 3 1 o 1.891 2.006 100.84 2.06232 0.83 2 6 -2 1 o 7.659 8.124 -72.31 2.06208 3.37 1 1 3 1 o 2.444 2.602 -170.81 2.05365 1.07 2 6 1 1 o 9.197 9.690 65.65 2.04760 4.00 2 7 -1 1 o 6.852 7.199 -177.22 2.04667 2.98 2 7 0 1 o 0.401 0.413 66.83 2.04192 0.17 1 8 -1 1 o 3.597 3.660 150.64 2.03920 1.55 1 6 2 1 o 4.837 4.885 114.90 2.03790 2.08 3 2 1 1 o 30.541 30.709 -161.06 2.03720 13.15 1 7 -2 1 o 5.749 5.773 -86.65 2.03699 2.48 0 7 2 1 o 0.621 0.588 -172.56 2.02913 0.27 3 4 -2 1 o 1.020 0.885 131.37 2.01944 0.43 3 5 -1 1 o 7.911 6.632 90.47 2.01524 3.34 1 2 3 1 o 3.544 2.906 -85.82 2.01204 1.49 2 4 -3 1 o 1.795 1.440 -137.74 2.00401 0.75 1 5 -3 1 o 0.037 0.032 -70.18 1.99088 0.02 2 4 2 1 o 19.408 18.666 7.06 1.98199 7.94 2 0 -1 2 o 0.378 0.374 -120.00 1.97901 0.59 2 0 1 2 o 3.381 3.341 120.00 1.97901 5.24 3 3 1 1 o 8.727 8.943 39.10 1.97077 3.53 3 5 0 1 o 18.790 19.335 12.94 1.96865 7.59 3 0 -3 1 o 4.609 4.810 0.00 1.95528 0.92 1 8 1 1 o 1.997 2.091 135.42 1.95424 0.80 1 3 3 1 o 12.316 13.289 42.72 1.94796 4.88 0 5 3 1 o 7.491 8.319 -177.21 1.94312 2.95 3 1 -3 1 o 14.573 16.190 -164.11 1.94305 5.74 3 2 -3 1 o 14.523 15.998 161.28 1.90769 5.53 3 5 -2 1 o 2.916 3.209 -110.61 1.90713 1.11 2 7 -2 1 o 3.894 4.323 -161.22 1.89620 1.47 2 5 -3 1 o 2.477 2.768 103.59 1.89412 0.93 3 4 1 1 o 19.072 21.649 6.91 1.88782 7.13 2 7 1 1 o 1.754 1.989 -12.45 1.88492 0.65 3 6 -1 1 o 12.090 13.533 -126.11 1.88121 4.49 1 7 2 1 o 2.632 2.870 -138.40 1.87735 0.97 2 5 2 1 o 12.122 13.031 -178.24 1.87550 4.47 1 4 3 1 o 1.738 1.780 137.12 1.86774 0.64 1 9 0 1 o 12.150 12.378 76.28 1.86641 4.44 0 9 1 1 o 27.371 27.732 -101.62 1.86395 9.99 2 8 -1 1 o 12.141 12.295 -23.25 1.86249 4.42 1 6 -3 1 o 0.823 0.835 121.03 1.86134 0.30 2 8 0 1 o 4.332 4.426 35.83 1.85890 1.57 4 0 -1 1 o 128.165 130.993 180.00 1.85882 23.27 1 8 -2 1 o 16.431 17.167 -75.82 1.85518 5.94 3 3 -3 1 o 7.215 7.672 146.52 1.85281 2.60 0 8 2 1 o 2.884 3.143 -166.26 1.84924 1.04 4 1 -1 1 o 7.000 7.668 -53.01 1.84830 2.52 3 6 0 1 o 23.560 26.024 -114.89 1.84314 8.42 1 9 -1 1 o 4.592 4.908 22.34 1.83606 1.63 1 0 -4 1 o 91.182 92.024 0.00 1.82334 15.98 0 6 3 1 o 46.098 46.562 -28.01 1.82214 16.13 4 2 -1 1 o 0.430 0.440 -113.11 1.81778 0.15 1 1 2 2 o 2.581 2.643 12.15 1.81729 6.84 1 1 -4 1 o 13.544 14.213 57.03 1.81341 4.70 4 0 -2 1 o 24.270 26.551 0.00 1.80350 4.17 0 0 3 2 o 0.565 0.618 0.00 1.80127 0.25 3 5 1 1 o 9.254 9.883 77.17 1.79511 3.15 4 1 -2 1 o 10.564 11.224 -130.88 1.79389 3.59 3 6 -2 1 o 31.482 33.257 -99.37 1.79236 10.69 4 0 0 1 o 1.330 1.399 0.00 1.79059 0.23 1 2 -4 1 o 7.501 7.935 -131.44 1.78457 2.53 3 4 -3 1 o 9.908 10.529 36.58 1.78338 3.33 2 6 -3 1 o 11.653 12.487 -10.35 1.78155 3.91 4 1 0 1 o 33.067 35.497 -124.63 1.78118 11.10 1 5 3 1 o 24.745 26.997 -27.12 1.77783 8.28 2 0 -4 1 o 0.470 0.514 180.00 1.77740 0.08 1 9 1 1 o 30.950 34.375 151.05 1.77331 10.31 4 3 -1 1 o 2.845 3.182 -78.44 1.77012 0.94 2 1 -4 1 o 0.536 0.601 -175.66 1.76819 0.18 3 0 2 1 o 2.952 3.301 180.00 1.76628 0.49 2 6 2 1 o 10.410 11.637 -55.21 1.76602 3.44 4 2 -2 1 o 2.320 2.594 71.02 1.76595 0.77 3 1 2 1 o 1.380 1.518 -37.52 1.75724 0.45 0 0 4 1 o 2.564 2.820 180.00 1.75675 0.42 2 0 3 1 o 18.114 19.907 0.00 1.75592 2.96 4 2 0 1 o 5.958 6.538 75.23 1.75382 1.94 3 7 -1 1 o 4.334 4.753 -146.63 1.75273 1.41 0 1 4 1 o 20.220 22.153 117.82 1.74787 6.56 2 1 3 1 o 2.927 3.209 -13.80 1.74705 0.95 2 8 -2 1 o 21.205 23.248 21.32 1.74695 6.87 2 2 -4 1 o 19.609 21.663 -23.84 1.74142 6.32 0 10 0 1 o 10.149 11.222 -21.01 1.73988 1.63 1 3 -4 1 o 5.297 5.857 -6.75 1.73940 1.70 2 8 1 1 o 8.839 9.760 -128.36 1.73812 2.84 1 7 -3 1 o 0.122 0.134 -97.15 1.73663 0.04 1 8 2 1 o 19.352 20.944 36.33 1.73218 6.17 3 2 2 1 o 30.995 33.372 -11.85 1.73096 9.88 4 3 -2 1 o 9.387 9.985 71.94 1.72215 2.96 0 2 4 1 o 16.267 17.307 -79.79 1.72199 5.13 3 7 0 1 o 16.450 17.505 -72.37 1.72181 5.19 2 2 3 1 o 25.149 26.778 149.60 1.72121 7.93 4 3 0 1 o 1.889 2.046 -145.30 1.71090 0.59 4 4 -1 1 o 50.673 54.905 -104.89 1.70928 15.78 0 7 3 1 o 6.728 7.251 -128.07 1.70466 2.08 3 5 -3 1 o 24.446 26.345 -117.59 1.70461 7.58 2 9 -1 1 o 34.698 37.349 -96.70 1.70390 10.74 2 9 0 1 o 78.161 83.533 -85.75 1.70116 24.13 2 3 -4 1 o 30.189 32.104 -81.79 1.69938 9.30 3 6 1 1 o 9.815 10.406 24.28 1.69843 3.02 1 9 -2 1 o 10.233 10.845 -150.51 1.69831 3.15 0 9 2 1 o 76.396 79.744 -168.06 1.69374 23.40 1 10 0 1 o 0.126 0.131 -109.84 1.69071 0.04 3 3 2 1 o 29.020 29.913 -106.63 1.68965 8.85 0 10 1 1 o 15.818 16.270 -111.29 1.68888 4.82 1 6 3 1 o 6.990 7.118 -27.44 1.68376 2.12 1 4 -4 1 o 12.677 12.913 -52.43 1.68158 3.83 0 3 4 1 o 5.808 5.918 -162.26 1.68131 1.76 2 3 3 1 o 19.437 19.822 -28.98 1.68058 5.87 3 7 -2 1 o 5.683 5.798 155.03 1.68020 1.72 2 7 -3 1 o 8.007 8.469 -109.40 1.67129 2.39 2 0 -2 2 o 3.333 3.525 120.00 1.67116 3.79 2 0 2 2 o 0.563 0.596 60.00 1.67116 0.64 1 10 -1 1 o 0.837 0.902 45.86 1.66805 0.25 4 4 -2 1 o 2.301 2.514 -114.27 1.66597 0.68 1 0 -3 2 o 1.052 1.182 0.00 1.65867 1.18 1 0 3 2 o 0.638 0.717 180.00 1.65867 0.72 2 7 2 1 o 1.077 1.210 -31.93 1.65845 0.32 4 4 0 1 o 0.636 0.722 148.15 1.65578 0.19 4 0 -3 1 o 0.268 0.309 0.00 1.65301 0.04 4 1 -3 1 o 4.974 5.760 13.79 1.64560 1.45 2 4 -4 1 o 3.708 4.282 -132.67 1.64533 1.08 3 0 -4 1 o 0.233 0.255 0.00 1.64115 0.03 4 5 -1 1 o 4.716 5.064 112.48 1.63955 1.36 3 4 2 1 o 1.941 2.013 -91.57 1.63650 0.56 3 1 -4 1 o 1.931 1.950 -1.46 1.63390 0.55 4 0 1 1 o 13.035 13.086 180.00 1.63326 1.87 3 8 -1 1 o 8.502 8.505 -125.53 1.63285 2.44 0 4 4 1 o 28.043 27.323 -33.51 1.62892 8.01 2 4 3 1 o 7.331 7.125 -103.00 1.62825 2.09 4 1 1 1 o 7.761 7.514 8.51 1.62611 2.21 4 2 -3 1 o 13.577 13.198 -158.08 1.62395 3.86 3 6 -3 1 o 42.933 42.376 12.02 1.62117 12.16 1 10 1 1 o 33.139 32.847 -129.32 1.62058 9.38 1 8 -3 1 o 30.255 30.161 152.21 1.61981 8.55 1 5 -4 1 o 5.485 5.665 0.85 1.61506 1.54 2 9 -2 1 o 6.543 6.792 144.15 1.61410 1.84 3 2 -4 1 o 7.607 7.938 -49.31 1.61270 2.13 1 0 4 1 o 5.566 5.798 0.00 1.60904 0.78 3 8 0 1 o 10.113 10.486 20.19 1.60777 2.82 2 1 0 2 o 0.980 1.017 9.83 1.60768 2.08 2 9 1 1 o 4.105 4.247 30.51 1.60713 1.14 4 2 1 1 o 5.998 6.171 74.47 1.60522 1.67 1 9 2 1 o 7.794 8.004 -60.14 1.60243 2.16 1 1 4 1 o 31.532 32.389 166.43 1.60220 8.74 3 7 1 1 o 3.461 3.556 -112.62 1.60209 0.96 4 5 -2 1 o 29.840 30.696 -173.47 1.60122 8.26 0 8 3 1 o 6.072 6.237 -26.93 1.59377 1.67 4 5 0 1 o 3.217 3.265 84.67 1.59216 0.88 1 7 3 1 o 15.934 15.838 61.70 1.58976 4.36 4 3 -3 1 o 9.423 9.361 -41.66 1.58970 2.58 2 5 -4 1 o 12.168 11.972 -15.47 1.58287 3.30 1 2 4 1 o 11.631 11.481 160.24 1.58221 3.15 3 3 -4 1 o 37.457 37.523 58.30 1.57914 10.12 3 5 2 1 o 7.355 7.435 -146.34 1.57500 1.98 3 8 -2 1 o 9.840 9.944 6.56 1.57373 2.64 4 3 1 1 o 20.271 20.466 94.58 1.57211 5.43 0 5 4 1 o 26.904 27.058 5.03 1.56823 7.18 2 5 3 1 o 12.185 12.251 -22.30 1.56764 3.25 2 10 -1 1 o 1.458 1.465 63.71 1.56709 0.39 2 8 -3 1 o 20.012 20.102 -145.51 1.56640 5.33 2 10 0 1 o 4.601 4.618 -30.59 1.56496 1.22 4 6 -1 1 o 6.712 6.735 83.84 1.56491 1.78 1 10 -2 1 o 13.750 13.763 -114.37 1.56274 3.65 0 10 2 1 o 2.992 2.975 152.34 1.55918 0.79 2 8 2 1 o 14.876 14.548 4.20 1.55582 3.92 1 3 4 1 o 24.202 22.556 124.77 1.55048 6.33 4 4 -3 1 o 5.181 4.736 4.60 1.54519 1.35 1 11 0 1 o 2.151 1.969 -141.44 1.54449 0.56 1 6 -4 1 o 0.579 0.531 -171.04 1.54356 0.15 0 11 1 1 o 11.236 10.335 -48.13 1.54310 2.91 2 1 1 2 o 0.506 0.471 103.01 1.54093 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