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#\#CIF_1.0 ################################################################################ # # # This CIF is a part of the B-IncStrDB # # (Bilbao Incommensurate Structures Database) # # http://www.cryst.ehu.eus/bincstrdb/ # # # # Please note that the structure of the CIF file may differ from the one # # deposited, as it may have been modified to comply with the standard. The # # file has been validated against official dictionaries as well as local # # dictionaries including non-standard data names used by SHELXL (Sheldrick, # # G. M. (2008). Acta Cryst. A 64, 112-122) and JANA (Petricek, V., Dusek, M. # # and Palatinus, L. (2014), Z. Kristallogr. 229, 345-352). # # # # For comments and/or criticisms, please e-mail to administrador-bcs@ehu.es # # # ################################################################################ #======================================================================= data_global #======================================================================= _audit_creation_method 'Jana2006 Version : 18/03/2008' _journal_name_full 'Acta Crystallographica Section B' _journal_year 2008 _journal_volume 64 _journal_page_first 684 _journal_page_last 701 _journal_paper_doi https://doi.org/10.1107/S0108768108031492 #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name 'Elcoro, Luis' _publ_contact_author_address ;Dpto de F\'isica de la Materia Condensada Facultad de Ciencia y Tecnolog\'ia Universidad del Pa\'is Vasco Apdo 644 Bilbao 48080 Spain ; _publ_contact_author_email luis.elcoro@ehu.es #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ;Modular crystals as modulated structures: the case of the lillianite homologous series ; loop_ _publ_author_name _publ_author_address 'Elcoro, Luis' ;Dpto de F\'isica de la Materia Condensada Facultad de Ciencia y Tecnolog\'ia Universidad del Pa\'is Vasco Apdo 644 Bilbao 48080 Spain ; 'Perez-Mato, J.M.' ;Dpto de F\'isica de la Materia Condensada Facultad de Ciencia y Tecnolog\'ia Universidad del Pa\'is Vasco Apdo 644 Bilbao 48080 Spain ; 'Friese, Karen' ;Dpto de F\'isica de la Materia Condensada Facultad de Ciencia y Tecnolog\'ia Universidad del Pa\'is Vasco Apdo 644 Bilbao 48080 Spain ; 'Petricek, Vaclav' ;Institute of Physics Academy of Sciences of the Czech Republic Na Slovance 2 182 21 Praha 8 Czech Republic ; 'Balic-Zunic, Tonci' ;Department of Geography and Geology University of Copenhagen Oster Voldgade 10 DK-1350 Copenhagen K Denmark ; 'Olsen, Lars Arnskov' ;Department of Geography and Geology University of Copenhagen Oster Voldgade 10 DK-1350 Copenhagen K Denmark ; #======================================================================= _publ_section_references ; Petricek, V., Dusek, M. & Palatinus L. (2006). Jana2006. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. ; #======================================================================= data_3D #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Pb1 S1' _chemical_formula_weight 239.2 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_name_H-M_alt 'B b m m' _space_group_name_Hall '-B -2xb;-2yb;-2z' loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,z 3 -x,y+1/2,-z 4 x,-y+1/2,-z 5 -x,-y,-z 6 x,y,-z 7 x,-y+1/2,z 8 -x,y+1/2,z 9 x+1/2,y,z+1/2 10 -x+1/2,-y,z+1/2 11 -x+1/2,y+1/2,-z+1/2 12 x+1/2,-y+1/2,-z+1/2 13 -x+1/2,-y,-z+1/2 14 x+1/2,y,-z+1/2 15 x+1/2,-y+1/2,z+1/2 16 -x+1/2,y+1/2,z+1/2 _cell_length_a 13.535 _cell_length_b 20.6327 _cell_length_c 4.104 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1146.098 _cell_formula_units_Z 176 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _cell_special_details ? _exptl_crystal_density_diffrn 60.9889 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 4048 _exptl_absorpt_coefficient_mu 651.605 _exptl_crystal_type_of_structure cryst _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1.000 _exptl_absorpt_correction_T_max 1.000 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_source 'X-ray tube' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number ? _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max ? _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_unetI/netI ? _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ? _reflns_number_total 1004 _reflns_number_gt 619 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt ? _refine_ls_wR_factor_gt ? _refine_ls_R_factor_all ? _refine_ls_wR_factor_ref ? _refine_ls_goodness_of_fit_ref 1.78 _refine_ls_goodness_of_fit_gt 2.22 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns ? _refine_ls_number_parameters ? _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_max ? _refine_diff_density_min ? _refine_ls_extinction_method 'none' _refine_ls_extinction_coef ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source S 0.125 0.123 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Pb -3.394 10.111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group S1-1 S 0 0 0.5 Uani 0.040(4) 4 1 d . . . S1-2 S 0.7366(6) 0.0962(5) 0.5 Uani 0.045(3) 8 1 d . . . S1-3 S 0.4554(5) 0.1649(3) 0.5 Uani 0.037(2) 8 1 d . . . S1-4 S 0.1837(7) 0.25 0.5 Uani 0.035(3) 4 1 d . . . Pb1-1 Pb 0.86274(8) 0.04928(6) 0 Uani 0.0329(3) 8 1 d . . . Pb1-2 Pb 0.59048(8) 0.13368(5) 0 Uani 0.0335(3) 8 1 d . . . Pb1-3 Pb 0.32674(14) 0.25 0 Uani 0.0564(7) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1-1 S 0.046(6) 0.027(5) 0.048(7) 0.002(4) 0 0 S1-2 S 0.041(4) 0.055(5) 0.040(4) 0.013(3) 0 0 S1-3 S 0.036(4) 0.027(4) 0.047(5) 0.002(3) 0 0 S1-4 S 0.034(5) 0.032(5) 0.038(6) 0 0 0 Pb1-1 Pb 0.0313(5) 0.0341(6) 0.0332(5) 0.0004(4) 0 0 Pb1-2 Pb 0.0360(5) 0.0299(5) 0.0344(6) 0.0006(4) 0 0 Pb1-3 Pb 0.0457(11) 0.0804(16) 0.0431(11) 0 0 0 #======================================================================= data_misfit #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'S Pb' _chemical_formula_weight 239.2 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_ssg_name 'Bbmm(0\b0)s00' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3,-x4 3 -x1,x2+1/2,-x3,x4+1/2 4 x1,-x2+1/2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1,x2,-x3,x4 7 x1,-x2+1/2,x3,-x4+1/2 8 -x1,x2+1/2,x3,x4+1/2 9 x1+1/2,x2,x3+1/2,x4 10 -x1+1/2,-x2,x3+1/2,-x4 11 -x1+1/2,x2+1/2,-x3+1/2,x4+1/2 12 x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2 13 -x1+1/2,-x2,-x3+1/2,-x4 14 x1+1/2,x2,-x3+1/2,x4 15 x1+1/2,-x2+1/2,x3+1/2,-x4+1/2 16 -x1+1/2,x2+1/2,x3+1/2,x4+1/2 _cell_length_a 13.535 _cell_length_b 1.8757 _cell_length_c 4.104 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 104.1907 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00000 0.09091 0.00000 _cell_subsystems_number 3 loop_ _cell_subsystem_code _cell_subsystem_description _cell_subsystem_matrix_W_1_1 _cell_subsystem_matrix_W_1_2 _cell_subsystem_matrix_W_1_3 _cell_subsystem_matrix_W_1_4 _cell_subsystem_matrix_W_2_1 _cell_subsystem_matrix_W_2_2 _cell_subsystem_matrix_W_2_3 _cell_subsystem_matrix_W_2_4 _cell_subsystem_matrix_W_3_1 _cell_subsystem_matrix_W_3_2 _cell_subsystem_matrix_W_3_3 _cell_subsystem_matrix_W_3_4 _cell_subsystem_matrix_W_4_1 _cell_subsystem_matrix_W_4_2 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 1 '1st subsystem' 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 2 '2nd subsystem' 1 0 0 0 0 1 0 1 0 0 1 0 0 0 0 1 3 '3rd subsystem' 1 0 0 0 0 1 0 -1 0 0 1 0 0 0 0 1 _jana_cell_commen_supercell_matrix_1_1 1 _jana_cell_commen_supercell_matrix_1_2 0 _jana_cell_commen_supercell_matrix_1_3 0 _jana_cell_commen_supercell_matrix_2_1 0 _jana_cell_commen_supercell_matrix_2_2 11 _jana_cell_commen_supercell_matrix_2_3 0 _jana_cell_commen_supercell_matrix_3_1 0 _jana_cell_commen_supercell_matrix_3_2 0 _jana_cell_commen_supercell_matrix_3_3 1 _jana_cell_commen_t_section_1 0.5 _cell_formula_units_Z 16 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 293 _exptl_crystal_density_diffrn 60.9889 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 368 _exptl_absorpt_coefficient_mu 651.605 _exptl_crystal_type_of_structure comp _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1.000 _exptl_absorpt_correction_T_max 1.000 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_source 'X-ray tube' _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number ? _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max ? _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_unetI/netI ? _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_limit_index_m_1_min ? _diffrn_reflns_limit_index_m_1_max ? _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ? _reflns_number_total 1004 _reflns_number_gt 619 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0484 _refine_ls_wR_factor_gt 0.0506 _refine_ls_R_factor_all 0.0726 _refine_ls_wR_factor_ref 0.0525 _refine_ls_goodness_of_fit_ref 1.69 _refine_ls_goodness_of_fit_gt 2.08 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 1004 _refine_ls_number_parameters 26 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0047 _refine_ls_shift/su_mean 0.0008 _refine_diff_density_max ? _refine_diff_density_min ? _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 59(5) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source S 0.125 0.123 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Pb -3.394 10.111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_subsystem_code _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group S1 S 2 0.5 0.5 0 Uani 0.0405(12) 4 1 d . . . Pb1 Pb 3 0 0 0 Uani 0.0394(2) 4 1 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S1 S 0.0385(18) 0.038(2) 0.045(2) 0 0 0 Pb1 Pb 0.0376(3) 0.0434(4) 0.0372(4) 0 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_y _atom_site_Fourier_wave_vector_z 1 0.00000 0.09091 0.00000 2 0.00000 0.18182 0.00000 3 0.00000 0.27273 0.00000 4 0.00000 0.36364 0.00000 5 0.00000 0.45455 0.00000 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id S1x1 S1 x 1 S1y1 S1 y 1 S1z1 S1 z 1 S1x2 S1 x 2 S1y2 S1 y 2 S1z2 S1 z 2 S1x3 S1 x 3 S1y3 S1 y 3 S1z3 S1 z 3 S1x4 S1 x 4 S1y4 S1 y 4 S1z4 S1 z 4 S1x5 S1 x 5 S1y5 S1 y 5 S1z5 S1 z 5 Pb1x1 Pb1 x 1 Pb1y1 Pb1 y 1 Pb1z1 Pb1 z 1 Pb1x2 Pb1 x 2 Pb1y2 Pb1 y 2 Pb1z2 Pb1 z 2 Pb1x3 Pb1 x 3 Pb1y3 Pb1 y 3 Pb1z3 Pb1 z 3 Pb1x4 Pb1 x 4 Pb1y4 Pb1 y 4 Pb1z4 Pb1 z 4 Pb1x5 Pb1 x 5 Pb1y5 Pb1 y 5 Pb1z5 Pb1 z 5 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin S1x1 0 -0.0525(4) S1y1 0 0 S1z1 0 0 S1x2 0 0 S1y2 0 0.080(4) S1z2 0 0 S1x3 0 0.0132(4) S1y3 0 0 S1z3 0 0 S1x4 0 0 S1y4 0 0.102(3) S1z4 0 0 S1x5 0 -0.0007(4) S1y5 0 0 S1z5 0 0 Pb1x1 0 -0.04462(7) Pb1y1 0 0 Pb1z1 0 0 Pb1x2 0 0 Pb1y2 0 -0.1273(5) Pb1z2 0 0 Pb1x3 0 0.00285(8) Pb1y3 0 0 Pb1z3 0 0 Pb1x4 0 0 Pb1y4 0 0.0711(5) Pb1z4 0 0 Pb1x5 0 -0.00075(5) Pb1y5 0 0 Pb1z5 0 0 loop_ _atom_site_displace_special_func_atom_site_label _atom_site_displace_special_func_sawtooth_ax _atom_site_displace_special_func_sawtooth_ay _atom_site_displace_special_func_sawtooth_az _atom_site_displace_special_func_sawtooth_c _atom_site_displace_special_func_sawtooth_w S1 -0.75 0 0 0 0.5 Pb1 -0.625 0 0 0 0.5 loop_ _atom_site_U_Fourier_id _atom_site_U_Fourier_atom_site_label _atom_site_U_Fourier_tens_elem _atom_site_U_Fourier_wave_vector_seq_id Pb1U111 Pb1 U11 1 Pb1U221 Pb1 U22 1 Pb1U331 Pb1 U33 1 Pb1U121 Pb1 U12 1 Pb1U131 Pb1 U13 1 Pb1U231 Pb1 U23 1 Pb1U112 Pb1 U11 2 Pb1U222 Pb1 U22 2 Pb1U332 Pb1 U33 2 Pb1U122 Pb1 U12 2 Pb1U132 Pb1 U13 2 Pb1U232 Pb1 U23 2 Pb1U113 Pb1 U11 3 Pb1U223 Pb1 U22 3 Pb1U333 Pb1 U33 3 Pb1U123 Pb1 U12 3 Pb1U133 Pb1 U13 3 Pb1U233 Pb1 U23 3 Pb1U114 Pb1 U11 4 Pb1U224 Pb1 U22 4 Pb1U334 Pb1 U33 4 Pb1U124 Pb1 U12 4 Pb1U134 Pb1 U13 4 Pb1U234 Pb1 U23 4 loop_ _atom_site_U_Fourier_param_id _atom_site_U_Fourier_param_cos _atom_site_U_Fourier_param_sin Pb1U111 0 0 Pb1U221 0 0 Pb1U331 0 0 Pb1U121 0.0006(3) 0 Pb1U131 0 0 Pb1U231 0 0 Pb1U112 -0.0070(6) 0 Pb1U222 -0.0177(7) 0 Pb1U332 -0.0043(6) 0 Pb1U122 0 0 Pb1U132 0 0 Pb1U232 0 0 Pb1U113 0 0 Pb1U223 0 0 Pb1U333 0 0 Pb1U123 -0.0004(3) 0 Pb1U133 0 0 Pb1U233 0 0 Pb1U114 0.0029(5) 0 Pb1U224 0.0214(7) 0 Pb1U334 0.0031(6) 0 Pb1U124 0 0 Pb1U134 0 0 Pb1U234 0 0 #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_F_meas _refln_F_calc _refln_F_sigma _refln_include_status 2 0 0 2 17.32 13.96 0.93 o 2 0 0 3 12.77 10.27 0.97 o 2 0 0 4 74.48 66.38 0.97 o 2 0 0 5 177.24 167.47 1.88 o 4 0 0 0 125.80 130.95 1.48 o 4 0 0 1 84.67 82.37 0.98 o 4 0 0 2 45.09 41.07 0.71 o 4 0 0 3 27.07 25.33 0.67 o 4 0 0 4 11.99 6.72 1.07 o 4 0 0 5 12.02 10.83 0.98 o 6 0 0 0 7.25 5.01 2.33 < 6 0 0 1 7.49 7.17 1.67 < 6 0 0 2 2.05 1.06 4.88 < 6 0 0 3 60.08 57.82 0.85 o 6 0 0 4 128.75 135.30 1.42 o 6 0 0 5 93.95 93.18 1.13 o 8 0 0 0 24.94 24.37 1.31 o 8 0 0 1 87.85 91.43 1.11 o 8 0 0 2 84.14 86.01 1.09 o 8 0 0 3 58.06 57.23 0.86 o 8 0 0 4 4.25 3.73 2.82 < 8 0 0 5 7.83 5.72 1.80 < 10 0 0 0 8.12 4.48 2.59 < 10 0 0 1 12.35 13.21 1.33 o 10 0 0 2 31.37 30.49 0.94 o 10 0 0 3 61.99 63.35 0.97 o 10 0 0 4 42.44 43.58 0.91 o 10 0 0 5 8.22 7.45 1.77 < 12 0 0 0 26.97 25.60 1.39 o 12 0 0 1 19.02 19.66 1.14 o 12 0 0 2 36.17 34.84 0.93 o 12 0 0 3 40.28 40.40 0.93 o 12 0 0 4 23.52 22.94 1.19 o 12 0 0 5 7.84 9.15 2.45 < 14 0 0 0 10.16 10.90 2.92 < 14 0 0 1 27.47 26.51 1.21 o 14 0 0 2 40.41 40.92 1.09 o 14 0 0 3 40.19 40.89 1.11 o 14 0 0 4 6.84 5.38 2.62 < 14 0 0 5 20.25 18.52 1.40 o 16 0 0 0 8.70 8.49 2.89 < 16 0 0 1 6.50 6.71 2.78 < 16 0 0 2 7.35 8.78 2.57 < 16 0 0 3 25.14 25.16 1.34 o 16 0 0 4 27.34 26.71 1.20 o 16 0 0 5 25.06 24.70 1.33 o 18 0 0 0 24.87 23.67 1.87 o 18 0 0 1 10.84 9.39 1.95 < 18 0 0 2 15.53 16.66 1.59 o 18 0 0 3 4.75 4.56 3.85 < 18 0 0 4 9.81 8.81 2.17 < 18 0 0 5 0.00 2.44 31.34 < 0 1 0 -5 46.08 39.84 1.47 o 0 1 0 -3 69.29 60.96 1.51 o 0 1 0 -1 152.26 140.66 2.00 o 0 1 0 1 68.75 63.33 1.56 o 0 1 0 3 4.71 7.26 7.46 < 0 1 0 5 59.62 57.62 1.56 o 2 1 0 -5 90.50 82.78 1.12 o 2 1 0 -4 91.65 86.85 1.15 o 2 1 0 -3 21.37 17.94 1.19 o 2 1 0 -2 20.09 18.90 1.26 o 2 1 0 -1 6.90 5.12 3.05 < 2 1 0 0 58.71 56.01 1.06 o 2 1 0 1 25.09 24.11 1.14 o 2 1 0 2 30.62 27.87 1.09 o 2 1 0 3 42.55 41.84 0.99 o 2 1 0 4 68.43 66.44 1.04 o 2 1 0 5 9.89 8.72 2.57 < 4 1 0 -5 24.60 21.35 0.76 o 4 1 0 -4 41.58 38.11 0.74 o 4 1 0 -3 6.83 6.13 1.96 < 4 1 0 -2 91.59 87.74 1.15 o 4 1 0 -1 110.39 112.91 1.31 o 4 1 0 0 4.32 7.46 3.93 < 4 1 0 1 86.86 87.82 1.19 o 4 1 0 2 55.03 54.59 0.97 o 4 1 0 3 0.00 1.61 30.41 < 4 1 0 4 26.93 26.80 1.06 o 4 1 0 5 39.92 40.91 0.95 o 6 1 0 -5 57.90 56.33 0.82 o 6 1 0 -4 53.92 52.15 0.76 o 6 1 0 -3 49.12 48.74 0.75 o 6 1 0 -2 6.83 4.50 1.85 < 6 1 0 -1 28.50 26.27 0.95 o 6 1 0 0 7.41 4.63 1.83 < 6 1 0 1 45.04 43.77 0.80 o 6 1 0 2 28.18 26.69 0.86 o 6 1 0 3 52.97 52.00 0.83 o 6 1 0 4 40.55 40.63 0.85 o 6 1 0 5 0.00 2.21 26.50 < 8 1 0 -5 0.00 0.91 25.10 < 8 1 0 -4 8.40 8.62 1.79 < 8 1 0 -3 59.74 60.85 0.85 o 8 1 0 -2 70.65 73.87 0.89 o 8 1 0 -1 10.88 9.33 1.18 o 8 1 0 0 14.01 12.94 1.04 o 8 1 0 1 41.24 39.97 0.75 o 8 1 0 2 47.43 48.17 0.89 o 8 1 0 3 0.00 3.19 27.06 < 8 1 0 4 27.82 26.26 0.97 o 8 1 0 5 4.94 5.86 2.95 < 10 1 0 -5 24.85 25.03 0.94 o 10 1 0 -4 40.01 41.62 0.84 o 10 1 0 -3 62.97 66.18 0.94 o 10 1 0 -2 27.16 25.49 0.89 o 10 1 0 -1 15.98 14.65 1.18 o 10 1 0 0 5.75 4.51 2.24 < 10 1 0 1 5.09 6.52 2.71 < 10 1 0 2 49.76 52.96 0.86 o 10 1 0 3 36.89 35.44 0.86 o 10 1 0 4 20.33 17.73 1.05 o 10 1 0 5 19.41 18.82 1.05 o 12 1 0 -5 0.00 2.10 28.90 < 12 1 0 -4 27.01 28.33 0.99 o 12 1 0 -3 61.59 63.87 0.99 o 12 1 0 -2 28.67 27.51 0.86 o 12 1 0 -1 3.38 3.74 3.72 < 12 1 0 0 4.98 4.06 2.49 < 12 1 0 1 2.90 3.30 4.40 < 12 1 0 2 36.44 38.16 0.82 o 12 1 0 3 16.86 17.32 1.10 o 12 1 0 4 20.72 19.77 1.02 o 12 1 0 5 17.87 17.24 1.08 o 14 1 0 -5 3.82 3.04 4.67 < 14 1 0 -4 5.10 5.53 3.57 < 14 1 0 -3 30.72 30.33 1.20 o 14 1 0 -2 22.59 22.51 1.05 o 14 1 0 -1 12.32 11.61 1.24 o 14 1 0 0 3.30 3.99 3.74 < 14 1 0 1 25.29 25.34 0.95 o 14 1 0 2 31.02 29.50 0.86 o 14 1 0 3 0.00 1.02 25.64 < 14 1 0 4 6.38 5.49 2.30 < 14 1 0 5 2.47 1.53 6.01 < 16 1 0 -5 11.89 10.89 1.89 o 16 1 0 -4 23.17 22.15 1.39 o 16 1 0 -3 18.93 19.13 1.50 o 16 1 0 -2 6.68 6.30 2.14 < 16 1 0 -1 3.03 2.54 4.73 < 16 1 0 0 0.00 1.63 27.11 < 16 1 0 1 8.47 10.22 1.93 < 16 1 0 2 10.57 11.08 1.61 o 16 1 0 3 12.39 12.67 1.33 o 16 1 0 4 12.02 11.59 1.51 o 16 1 0 5 5.34 4.98 2.88 < 18 1 0 -5 5.48 0.60 3.71 < 18 1 0 -4 3.10 3.39 6.71 < 18 1 0 -3 7.22 7.27 2.39 < 18 1 0 -2 14.21 13.44 1.30 o 18 1 0 -1 17.11 17.44 1.23 o 0 2 0 -4 9.69 10.91 3.79 < 0 2 0 -2 35.08 34.36 1.74 o 0 2 0 0 52.10 51.80 2.16 o 0 2 0 2 25.18 25.98 3.00 o 0 2 0 4 32.74 31.93 2.58 o 2 2 0 -5 80.04 77.84 1.23 o 2 2 0 -4 2.59 4.53 9.25 < 2 2 0 -3 8.14 7.65 3.46 < 2 2 0 -2 19.62 22.39 1.82 o 2 2 0 -1 41.95 40.85 1.63 o 2 2 0 0 10.57 9.83 3.64 < 2 2 0 1 8.73 2.78 4.00 < 2 2 0 2 7.22 4.17 4.73 < 2 2 0 3 3.30 4.91 9.92 < 2 2 0 4 8.09 3.35 4.37 < 2 2 0 5 31.49 26.68 1.79 o 4 2 0 -5 36.35 37.81 0.95 o 4 2 0 -4 4.62 2.67 3.93 < 4 2 0 -3 19.32 19.06 1.29 o 4 2 0 -2 21.06 18.45 1.27 o 4 2 0 -1 20.54 19.64 1.66 o 4 2 0 0 38.23 36.11 1.53 o 4 2 0 1 20.48 15.12 2.10 o 4 2 0 2 12.69 12.47 2.82 < 4 2 0 3 17.92 19.67 2.37 o 4 2 0 4 20.08 16.36 2.19 o 4 2 0 5 6.40 5.23 5.63 < 6 2 0 -5 34.96 38.54 0.89 o 6 2 0 -4 33.93 34.65 0.87 o 6 2 0 -3 14.89 13.97 1.19 o 6 2 0 -2 35.04 34.42 0.98 o 6 2 0 -1 12.28 12.29 1.63 o 6 2 0 0 19.20 20.39 1.42 o 6 2 0 1 17.83 16.41 1.31 o 6 2 0 2 8.98 4.23 2.67 < 6 2 0 3 11.64 11.26 2.34 < 6 2 0 4 16.95 17.05 1.73 o 6 2 0 5 14.17 13.61 2.01 o 8 2 0 -5 16.44 16.59 1.20 o 8 2 0 -4 31.51 30.44 0.95 o 8 2 0 -3 16.86 17.71 1.16 o 8 2 0 -2 24.46 23.70 0.99 o 8 2 0 -1 18.55 17.50 1.08 o 8 2 0 0 20.76 20.77 1.14 o 8 2 0 1 14.50 16.39 1.39 o 8 2 0 2 1.95 1.02 8.41 < 8 2 0 3 28.78 27.16 1.06 o 8 2 0 4 5.82 1.97 3.44 < 10 2 0 -5 2.12 5.18 6.69 < 10 2 0 -4 35.45 34.18 0.86 o 10 2 0 -3 6.16 3.62 2.32 < 10 2 0 -2 23.78 23.17 1.05 o 10 2 0 -1 8.69 10.27 1.95 < 10 2 0 0 6.93 5.24 2.32 < 10 2 0 1 13.73 12.69 1.38 o 10 2 0 2 5.07 1.33 3.21 < 10 2 0 3 18.44 16.18 1.21 o 12 2 0 -5 3.78 3.86 3.74 < 12 2 0 -4 31.89 30.66 0.88 o 12 2 0 -3 7.76 6.46 1.93 < 12 2 0 -2 11.40 12.47 1.43 o 12 2 0 -1 1.95 5.73 8.49 < 12 2 0 0 8.12 5.39 2.19 < 12 2 0 1 11.66 10.17 2.00 < 14 2 0 -5 6.07 4.79 2.49 < 14 2 0 -4 16.20 16.36 1.18 o 14 2 0 -3 4.64 5.40 3.18 < 14 2 0 -2 12.01 10.93 1.75 o 0 3 0 -5 14.59 10.82 3.63 < 2 3 0 -5 0.00 0.24 40.74 < 2 3 0 -4 16.77 15.68 2.39 o 4 3 0 -5 13.15 9.78 3.00 < 6 3 0 -5 1.97 0.69 12.91 < 1 0 1 0 40.01 36.91 0.64 o 1 0 1 1 25.00 22.65 0.51 o 1 0 1 2 77.29 71.38 0.94 o 1 0 1 3 109.68 103.86 1.22 o 1 0 1 4 63.67 57.17 0.89 o 1 0 1 5 13.68 10.34 1.01 o 3 0 1 0 17.97 16.10 0.87 o 3 0 1 1 104.19 103.63 1.10 o 3 0 1 2 125.04 125.46 1.31 o 3 0 1 3 103.57 100.77 1.14 o 3 0 1 4 3.66 2.48 2.51 < 3 0 1 5 39.02 34.99 0.62 o 5 0 1 0 16.69 15.26 0.85 o 5 0 1 1 26.36 25.66 0.57 o 5 0 1 2 9.80 9.06 0.91 o 5 0 1 3 82.70 82.15 0.93 o 5 0 1 4 115.34 120.90 1.22 o 5 0 1 5 79.31 79.58 0.90 o 7 0 1 0 86.68 93.42 1.12 o 7 0 1 1 56.71 57.67 0.74 o 7 0 1 2 51.75 52.46 0.71 o 7 0 1 3 9.70 9.38 1.09 o 7 0 1 4 26.87 26.97 0.69 o 7 0 1 5 6.09 4.35 1.44 < 9 0 1 0 3.05 4.23 4.80 < 9 0 1 1 14.29 14.45 0.92 o 9 0 1 2 17.53 17.98 0.78 o 9 0 1 3 4.54 5.22 2.20 < 9 0 1 4 43.28 42.84 0.70 o 9 0 1 5 90.69 97.46 1.04 o 11 0 1 0 110.24 123.51 1.35 o 11 0 1 1 12.65 12.02 1.02 o 11 0 1 2 15.29 16.39 0.93 o 11 0 1 3 10.04 10.08 1.21 o 11 0 1 4 12.65 13.18 0.99 o 11 0 1 5 8.53 8.43 1.29 o 13 0 1 0 5.92 7.56 2.49 < 13 0 1 1 3.82 4.10 2.68 < 13 0 1 2 5.23 7.04 2.00 < 13 0 1 3 2.45 1.59 4.23 < 13 0 1 4 16.37 15.42 0.96 o 13 0 1 5 65.03 68.20 0.88 o 15 0 1 0 41.94 42.90 0.99 o 15 0 1 1 18.46 19.26 0.90 o 15 0 1 2 7.40 9.46 1.63 < 15 0 1 3 15.96 16.40 0.96 o 15 0 1 4 3.65 2.37 3.11 < 15 0 1 5 1.87 0.52 6.36 < 17 0 1 0 0.00 1.52 31.58 < 17 0 1 1 1.52 2.95 8.47 < 17 0 1 2 2.70 3.80 4.83 < 17 0 1 3 8.18 8.39 1.72 < 17 0 1 4 31.71 29.59 0.87 o 17 0 1 5 28.18 25.68 0.91 o 19 0 1 0 10.04 8.98 2.27 < 19 0 1 1 18.55 17.15 1.09 o 1 1 1 -5 15.86 13.60 1.03 o 1 1 1 -4 83.89 77.92 1.02 o 1 1 1 -3 132.01 129.20 1.45 o 1 1 1 -2 47.87 47.47 0.85 o 1 1 1 -1 11.85 10.28 1.42 o 1 1 1 0 7.23 5.54 2.12 < 1 1 1 1 0.00 1.08 27.39 < 1 1 1 2 88.93 89.29 1.12 o 1 1 1 3 47.24 45.08 0.99 o 1 1 1 4 27.69 30.19 1.12 o 1 1 1 5 36.39 35.96 1.16 o 3 1 1 -5 16.98 15.10 0.71 o 3 1 1 -4 6.69 1.78 1.63 < 3 1 1 -3 88.16 88.63 1.01 o 3 1 1 -2 78.96 78.21 0.95 o 3 1 1 -1 11.85 10.67 1.16 o 3 1 1 0 4.57 1.75 2.78 < 3 1 1 1 64.64 63.72 0.86 o 3 1 1 2 68.07 67.93 0.89 o 3 1 1 3 3.22 3.39 4.26 < 3 1 1 4 21.57 22.27 0.90 o 3 1 1 5 7.18 6.18 2.06 < 5 1 1 -5 53.46 51.09 0.68 o 5 1 1 -4 67.98 66.75 0.81 o 5 1 1 -3 53.22 53.01 0.70 o 5 1 1 -2 23.60 22.26 0.67 o 5 1 1 -1 11.53 11.36 1.03 o 5 1 1 0 7.70 7.25 1.38 < 5 1 1 1 41.16 42.38 0.66 o 5 1 1 2 33.86 32.06 0.70 o 5 1 1 3 47.85 48.16 0.73 o 5 1 1 4 33.61 33.06 0.73 o 5 1 1 5 8.05 6.66 1.57 < 7 1 1 -5 4.28 2.80 2.13 < 7 1 1 -4 28.44 26.28 0.61 o 7 1 1 -3 18.33 18.28 0.71 o 7 1 1 -2 65.36 67.26 0.78 o 7 1 1 -1 71.33 74.11 0.83 o 7 1 1 0 7.80 7.26 1.28 o 7 1 1 1 72.10 77.22 0.84 o 7 1 1 2 41.03 42.72 0.64 o 7 1 1 3 5.18 6.79 1.88 < 7 1 1 4 17.83 19.13 0.74 o 7 1 1 5 24.29 25.16 0.73 o 9 1 1 -5 47.41 45.78 0.72 o 9 1 1 -4 61.81 65.03 0.79 o 9 1 1 -3 2.26 1.84 3.79 < 9 1 1 -2 18.56 17.11 0.70 o 9 1 1 -1 8.11 7.47 1.16 o 9 1 1 0 26.74 26.46 0.63 o 9 1 1 1 19.65 18.07 0.68 o 9 1 1 2 6.74 6.04 1.40 < 9 1 1 3 27.22 25.65 0.65 o 9 1 1 4 34.93 37.20 0.65 o 9 1 1 5 4.00 1.02 2.46 < 11 1 1 -5 9.75 10.90 1.12 o 11 1 1 -4 13.63 13.46 0.95 o 11 1 1 -3 19.11 18.90 0.81 o 11 1 1 -2 5.11 3.67 1.75 < 11 1 1 -1 63.06 64.95 0.77 o 11 1 1 0 7.57 5.90 1.22 o 11 1 1 1 34.14 34.86 0.62 o 11 1 1 2 9.67 10.15 1.06 o 11 1 1 3 3.11 1.01 3.26 < 11 1 1 4 5.08 1.33 2.16 < 11 1 1 5 27.86 26.69 0.77 o 13 1 1 -5 19.52 17.95 0.79 o 13 1 1 -4 28.77 27.59 0.72 o 13 1 1 -3 15.93 15.60 0.89 o 13 1 1 -2 6.07 7.06 1.57 < 13 1 1 -1 1.30 1.73 6.83 < 13 1 1 0 19.11 19.45 0.74 o 13 1 1 1 5.10 2.59 1.91 < 13 1 1 2 9.88 10.73 1.17 o 13 1 1 3 11.36 12.27 1.09 o 13 1 1 4 27.66 26.43 0.75 o 13 1 1 5 7.71 6.32 1.52 < 15 1 1 -5 9.27 9.19 1.36 o 15 1 1 -4 5.99 5.69 2.10 < 15 1 1 -3 3.62 0.93 3.37 < 15 1 1 -2 20.70 20.56 0.76 o 15 1 1 -1 36.26 36.40 0.65 o 15 1 1 0 5.27 1.90 2.00 < 15 1 1 1 26.08 24.90 0.73 o 15 1 1 2 18.76 18.74 0.81 o 15 1 1 3 2.85 1.46 3.60 < 15 1 1 4 7.51 7.14 1.51 < 15 1 1 5 14.64 13.66 0.94 o 17 1 1 -5 12.60 10.96 1.21 o 17 1 1 -4 11.76 10.66 1.27 o 17 1 1 -3 15.46 14.74 1.11 o 17 1 1 -2 5.07 3.87 2.36 < 17 1 1 -1 6.34 6.48 1.84 < 17 1 1 0 4.48 4.46 2.51 < 17 1 1 1 7.89 7.80 1.49 < 17 1 1 2 5.61 6.60 2.10 < 1 2 1 -5 8.72 8.19 2.29 < 1 2 1 -4 59.59 59.16 1.07 o 1 2 1 -3 7.75 5.94 2.57 < 1 2 1 -2 28.77 28.84 1.11 o 1 2 1 -1 13.94 15.68 1.60 o 1 2 1 0 9.80 9.80 2.03 < 1 2 1 1 21.05 19.18 1.21 o 1 2 1 2 4.85 0.32 3.73 < 1 2 1 3 29.07 24.35 1.20 o 1 2 1 4 17.53 14.79 1.66 o 1 2 1 5 0.00 6.49 34.21 < 3 2 1 -5 17.52 16.73 1.27 o 3 2 1 -4 41.94 41.30 0.91 o 3 2 1 -3 16.17 18.54 1.38 o 3 2 1 -2 25.44 25.42 1.10 o 3 2 1 -1 27.13 25.28 1.09 o 3 2 1 0 28.78 26.97 1.05 o 3 2 1 1 22.95 22.94 1.12 o 3 2 1 2 0.00 1.95 31.62 < 3 2 1 3 29.97 31.93 1.15 o 3 2 1 4 6.90 3.99 3.54 < 3 2 1 5 7.03 4.99 3.39 < 5 2 1 -5 45.25 47.68 0.74 o 5 2 1 -4 36.08 35.32 0.73 o 5 2 1 -3 13.41 12.73 1.05 o 5 2 1 -2 33.54 32.67 0.79 o 5 2 1 -1 9.54 10.77 1.55 o 5 2 1 0 17.62 19.28 1.05 o 5 2 1 1 20.01 20.13 1.13 o 5 2 1 2 0.00 2.32 28.33 < 5 2 1 3 9.53 10.23 1.94 < 5 2 1 4 18.26 16.38 1.26 o 5 2 1 5 14.06 14.22 1.73 o 7 2 1 -5 31.57 32.48 0.68 o 7 2 1 -4 7.33 2.87 1.44 < 7 2 1 -3 13.08 12.67 0.93 o 7 2 1 -2 13.06 13.19 1.03 o 7 2 1 -1 15.96 15.22 0.95 o 7 2 1 0 32.95 32.51 0.75 o 7 2 1 1 12.28 10.23 1.18 o 7 2 1 2 6.79 9.20 2.10 < 7 2 1 3 13.41 13.97 1.31 o 7 2 1 4 14.82 13.38 1.34 o 7 2 1 5 2.76 4.52 6.49 < 9 2 1 -5 52.46 51.56 0.74 o 9 2 1 -4 2.24 1.34 5.46 < 9 2 1 -3 0.00 1.39 23.61 < 9 2 1 -2 13.21 12.27 1.10 o 9 2 1 -1 22.31 23.94 0.83 o 9 2 1 0 9.13 8.36 1.38 o 9 2 1 1 6.35 2.58 2.03 < 9 2 1 2 5.60 1.83 2.22 < 9 2 1 3 4.36 2.15 2.85 < 11 2 1 -5 4.53 2.29 2.43 < 11 2 1 -4 2.90 2.91 3.95 < 11 2 1 -3 2.00 3.28 5.75 < 11 2 1 -2 15.89 16.50 1.01 o 11 2 1 -1 7.76 2.52 1.59 < 11 2 1 0 29.01 27.49 0.81 o 11 2 1 1 0.95 0.57 12.33 < 13 2 1 -5 33.75 32.03 0.71 o 13 2 1 -4 6.02 5.11 1.97 < 13 2 1 -3 5.93 4.70 1.92 < 13 2 1 -2 7.08 8.57 1.69 < 13 2 1 -1 17.37 16.82 0.95 o 15 2 1 -5 7.57 8.16 1.61 < 1 3 1 -5 12.92 9.94 2.32 < 1 3 1 -4 7.28 0.68 3.37 < 3 3 1 -5 8.70 9.46 2.61 < 5 3 1 -5 0.00 0.83 34.57 < 0 0 2 2 19.28 16.94 1.03 o 0 0 2 4 17.78 17.57 1.71 o 2 0 2 0 4.58 0.27 2.16 < 2 0 2 1 0.00 1.45 19.30 < 2 0 2 2 9.27 8.53 0.91 o 2 0 2 3 7.66 6.25 1.42 < 2 0 2 4 50.74 48.41 0.76 o 2 0 2 5 129.22 138.96 1.40 o 4 0 2 0 100.93 104.71 1.18 o 4 0 2 1 62.95 62.45 0.74 o 4 0 2 2 33.20 31.87 0.60 o 4 0 2 3 20.00 19.39 0.68 o 4 0 2 4 7.73 5.99 1.30 < 4 0 2 5 7.80 6.51 1.34 < 6 0 2 0 5.70 4.58 1.76 < 6 0 2 1 5.78 4.62 1.33 < 6 0 2 2 1.73 0.71 4.76 < 6 0 2 3 44.33 43.17 0.64 o 6 0 2 4 97.14 102.68 1.07 o 6 0 2 5 69.83 70.61 0.81 o 8 0 2 0 19.56 19.45 1.07 o 8 0 2 1 66.21 69.33 0.81 o 8 0 2 2 63.50 64.92 0.79 o 8 0 2 3 43.97 44.21 0.67 o 8 0 2 4 5.19 3.71 1.87 < 8 0 2 5 5.07 4.49 2.11 < 10 0 2 0 4.69 3.38 2.88 < 10 0 2 1 11.22 10.97 1.05 o 10 0 2 2 24.88 24.01 0.68 o 10 0 2 3 48.51 49.07 0.71 o 10 0 2 4 34.00 34.32 0.70 o 10 0 2 5 4.15 4.95 2.41 < 12 0 2 0 20.80 19.48 1.14 o 12 0 2 1 16.93 15.75 0.95 o 12 0 2 2 27.69 27.26 0.77 o 12 0 2 3 32.08 31.98 0.74 o 12 0 2 4 18.71 18.73 0.83 o 12 0 2 5 6.15 7.59 1.70 < 14 0 2 0 7.49 9.35 2.77 < 14 0 2 1 22.04 21.17 1.01 o 14 0 2 2 32.93 32.22 0.82 o 14 0 2 3 32.89 32.33 0.83 o 14 0 2 4 2.77 4.56 4.52 < 14 0 2 5 13.63 14.43 1.16 o 16 0 2 0 5.36 6.95 3.78 < 16 0 2 1 3.03 5.07 4.83 < 16 0 2 2 5.54 7.10 2.41 < 16 0 2 3 20.25 19.99 1.00 o 16 0 2 4 23.72 21.35 0.94 o 16 0 2 5 21.08 20.09 0.98 o 18 0 2 0 20.60 19.46 1.53 o 18 0 2 1 9.24 7.66 1.71 < 18 0 2 2 14.28 13.48 1.34 o 18 0 2 3 8.35 3.87 1.99 < 0 1 2 -5 30.60 27.74 1.12 o 0 1 2 -3 42.54 42.62 0.99 o 0 1 2 -1 106.45 109.19 1.46 o 0 1 2 1 47.69 50.60 1.19 o 0 1 2 3 1.45 4.81 17.53 < 0 1 2 5 36.63 44.69 1.31 o 2 1 2 -5 58.00 55.90 0.80 o 2 1 2 -4 65.04 64.63 0.87 o 2 1 2 -3 14.92 14.30 1.00 o 2 1 2 -2 14.35 14.55 1.14 o 2 1 2 -1 2.24 3.83 5.77 < 2 1 2 0 37.48 41.79 0.77 o 2 1 2 1 16.35 18.08 1.07 o 2 1 2 2 19.98 20.60 0.95 o 2 1 2 3 29.53 31.65 0.92 o 2 1 2 4 49.25 51.65 1.00 o 2 1 2 5 6.80 6.91 2.47 < 4 1 2 -5 15.42 15.25 0.90 o 4 1 2 -4 29.46 27.26 0.70 o 4 1 2 -3 3.33 4.89 3.09 < 4 1 2 -2 64.56 66.25 0.83 o 4 1 2 -1 80.74 86.60 0.97 o 4 1 2 0 4.92 5.53 2.36 < 4 1 2 1 63.60 67.93 0.86 o 4 1 2 2 41.25 42.38 0.73 o 4 1 2 3 2.95 1.30 4.10 < 4 1 2 4 20.04 20.56 0.96 o 4 1 2 5 31.03 31.81 0.85 o 6 1 2 -5 42.83 42.15 0.66 o 6 1 2 -4 41.00 40.46 0.66 o 6 1 2 -3 37.29 38.48 0.67 o 6 1 2 -2 2.68 3.08 3.58 < 6 1 2 -1 19.64 19.34 0.75 o 6 1 2 0 4.96 4.04 2.11 < 6 1 2 1 34.38 33.17 0.69 o 6 1 2 2 21.26 20.81 0.82 o 6 1 2 3 40.14 40.42 0.69 o 6 1 2 4 33.25 32.14 0.71 o 6 1 2 5 0.00 2.09 23.29 < 8 1 2 -5 0.00 1.23 20.55 < 8 1 2 -4 5.80 6.03 1.64 < 8 1 2 -3 46.05 46.89 0.70 o 8 1 2 -2 55.58 57.25 0.75 o 8 1 2 -1 8.10 8.41 1.24 o 8 1 2 0 10.12 9.68 1.06 o 8 1 2 1 32.21 31.06 0.67 o 8 1 2 2 36.84 38.49 0.66 o 8 1 2 3 2.07 3.00 4.70 < 8 1 2 4 21.02 20.72 0.76 o 8 1 2 5 4.22 4.32 2.61 < 10 1 2 -5 19.50 19.52 0.80 o 10 1 2 -4 31.77 32.00 0.66 o 10 1 2 -3 49.80 51.96 0.72 o 10 1 2 -2 20.80 20.38 0.73 o 10 1 2 -1 12.22 11.60 0.94 o 10 1 2 0 3.30 3.28 2.83 < 10 1 2 1 6.40 4.90 1.54 < 10 1 2 2 40.76 41.79 0.66 o 10 1 2 3 29.77 28.03 0.68 o 10 1 2 4 15.67 14.42 0.82 o 10 1 2 5 14.25 14.73 0.87 o 12 1 2 -5 2.81 1.21 3.77 < 12 1 2 -4 23.25 22.26 0.76 o 12 1 2 -3 49.97 50.27 0.72 o 12 1 2 -2 23.83 21.89 0.73 o 12 1 2 -1 1.95 3.15 5.08 < 12 1 2 0 5.39 3.26 1.85 < 12 1 2 1 0.89 2.46 11.01 < 12 1 2 2 30.11 30.46 0.69 o 12 1 2 3 13.94 14.05 0.90 o 12 1 2 4 17.69 15.97 0.77 o 12 1 2 5 13.78 13.57 0.95 o 14 1 2 -5 0.00 2.01 23.72 < 14 1 2 -4 3.75 4.34 2.90 < 14 1 2 -3 26.28 24.16 0.71 o 14 1 2 -2 18.63 18.31 0.79 o 14 1 2 -1 9.87 9.80 1.19 o 14 1 2 0 1.48 3.09 6.67 < 14 1 2 1 20.71 20.17 0.78 o 14 1 2 2 26.16 23.87 0.74 o 14 1 2 3 4.00 1.01 2.85 < 14 1 2 4 3.99 4.62 2.82 < 14 1 2 5 4.00 1.28 2.99 < 16 1 2 -5 10.39 8.71 1.43 o 16 1 2 -4 18.98 17.95 0.94 o 16 1 2 -3 16.76 15.61 0.94 o 16 1 2 -2 7.55 4.79 1.81 < 16 1 2 -1 0.00 2.00 24.49 < 16 1 2 0 4.46 1.04 2.51 < 16 1 2 1 8.25 8.13 1.45 < 16 1 2 2 10.48 8.94 1.20 o 0 2 2 -4 5.18 8.24 4.58 < 0 2 2 -2 21.94 26.92 1.80 o 0 2 2 0 43.44 41.70 2.03 o 0 2 2 2 21.19 20.59 1.92 o 0 2 2 4 25.00 25.58 1.79 o 2 2 2 -5 59.18 61.60 1.02 o 2 2 2 -4 3.29 4.08 5.80 < 2 2 2 -3 5.87 6.06 2.83 < 2 2 2 -2 13.63 17.49 1.45 o 2 2 2 -1 29.25 32.46 1.07 o 2 2 2 0 8.51 7.80 2.10 < 2 2 2 1 0.00 2.48 28.42 < 2 2 2 2 5.90 3.23 3.03 < 2 2 2 3 2.86 4.00 6.13 < 2 2 2 4 6.80 2.91 2.65 < 2 2 2 5 22.42 21.65 1.16 o 4 2 2 -5 30.05 29.24 0.85 o 4 2 2 -4 3.38 1.74 4.01 < 4 2 2 -3 15.48 14.90 1.27 o 4 2 2 -2 17.15 14.95 1.21 o 4 2 2 -1 15.86 15.72 1.52 o 4 2 2 0 28.03 29.22 1.04 o 4 2 2 1 13.53 12.14 1.37 o 4 2 2 2 8.23 10.11 2.01 < 4 2 2 3 14.41 15.97 1.38 o 4 2 2 4 13.42 13.27 1.46 o 4 2 2 5 2.24 4.21 8.21 < 6 2 2 -5 29.78 30.70 0.73 o 6 2 2 -4 28.41 27.80 0.74 o 6 2 2 -3 11.95 11.00 1.08 o 6 2 2 -2 28.64 27.34 0.79 o 6 2 2 -1 10.18 9.88 1.36 o 6 2 2 0 15.86 16.12 1.11 o 6 2 2 1 12.47 13.11 1.51 o 6 2 2 2 2.98 3.22 4.84 < 6 2 2 3 9.72 9.22 1.76 < 6 2 2 4 12.10 13.76 1.49 o 8 2 2 -5 14.02 13.15 0.91 o 8 2 2 -4 24.85 24.17 0.72 o 8 2 2 -3 14.31 14.09 0.93 o 8 2 2 -2 20.32 19.11 0.79 o 8 2 2 -1 14.76 14.16 0.96 o 8 2 2 0 16.86 16.49 0.95 o 8 2 2 1 12.83 13.34 1.28 o 8 2 2 2 4.99 0.98 3.18 < 10 2 2 -5 4.38 4.13 2.32 < 10 2 2 -4 29.60 27.43 0.72 o 10 2 2 -3 3.05 3.15 3.61 < 10 2 2 -2 19.49 18.79 0.82 o 10 2 2 -1 3.69 8.21 3.50 < 10 2 2 0 5.59 4.12 2.34 < 10 2 2 1 11.55 10.39 1.30 o 12 2 2 -5 0.00 3.23 22.86 < 12 2 2 -4 26.50 24.59 0.79 o 12 2 2 -3 8.16 5.35 1.63 < 12 2 2 -2 9.44 10.38 1.53 o 14 2 2 -5 5.81 4.04 2.14 < 1 0 3 0 20.36 19.25 0.74 o 1 0 3 1 14.51 13.89 0.64 o 1 0 3 2 40.99 40.53 0.66 o 1 0 3 3 59.03 61.08 0.77 o 1 0 3 4 34.96 35.18 0.73 o 1 0 3 5 4.21 3.68 2.85 < 3 0 3 0 11.43 12.12 1.32 o 3 0 3 1 56.68 57.62 0.76 o 3 0 3 2 69.10 70.21 0.86 o 3 0 3 3 56.14 56.79 0.79 o 3 0 3 4 0.00 0.46 22.69 < 3 0 3 5 19.39 18.66 0.84 o 5 0 3 0 11.48 10.03 1.34 o 5 0 3 1 13.90 12.99 0.75 o 5 0 3 2 7.15 6.53 1.44 < 5 0 3 3 46.12 46.37 0.69 o 5 0 3 4 67.51 70.03 0.84 o 5 0 3 5 46.06 47.34 0.72 o 7 0 3 0 58.50 57.61 0.93 o 7 0 3 1 34.04 33.80 0.71 o 7 0 3 2 31.21 31.49 0.72 o 7 0 3 3 7.54 7.26 1.51 < 7 0 3 4 15.70 15.61 0.93 o 7 0 3 5 0.00 1.28 22.64 < 9 0 3 0 0.00 1.62 27.20 < 9 0 3 1 8.81 8.91 1.46 o 9 0 3 2 8.72 9.69 1.34 o 9 0 3 3 4.68 4.07 2.19 < 9 0 3 4 26.53 25.20 0.74 o 9 0 3 5 60.31 60.72 0.81 o 11 0 3 0 74.49 76.97 1.20 o 11 0 3 1 7.18 6.80 1.77 < 11 0 3 2 11.71 11.33 1.23 o 11 0 3 3 6.56 5.95 1.72 < 11 0 3 4 7.81 8.78 1.53 < 11 0 3 5 5.15 4.74 2.04 < 13 0 3 0 3.39 4.71 5.03 < 13 0 3 1 4.20 1.91 2.97 < 13 0 3 2 4.62 4.57 2.76 < 13 0 3 3 4.11 1.65 3.00 < 13 0 3 4 10.94 9.92 1.38 o 13 0 3 5 44.62 43.51 0.80 o 15 0 3 0 28.65 28.01 1.26 o 15 0 3 1 14.09 12.44 1.21 o 15 0 3 2 6.00 6.82 2.32 < 15 0 3 3 10.01 10.77 1.46 o 15 0 3 4 1.55 1.14 8.52 < 15 0 3 5 0.00 0.56 25.10 < 1 1 3 -5 8.85 9.40 1.52 < 1 1 3 -4 40.98 42.92 0.80 o 1 1 3 -3 70.63 75.97 1.00 o 1 1 3 -2 29.84 27.96 0.97 o 1 1 3 -1 4.81 6.44 2.75 < 1 1 3 0 5.22 2.81 2.54 < 1 1 3 1 1.26 0.73 10.71 < 1 1 3 2 50.03 53.74 1.07 o 1 1 3 3 28.27 27.69 1.05 o 1 1 3 4 17.72 19.24 1.11 o 1 1 3 5 20.29 21.43 1.06 o 3 1 3 -5 8.11 6.61 1.52 < 3 1 3 -4 0.00 0.48 24.19 < 3 1 3 -3 48.82 51.44 0.79 o 3 1 3 -2 45.44 46.76 0.79 o 3 1 3 -1 7.60 8.94 1.79 < 3 1 3 0 1.92 0.89 5.93 < 3 1 3 1 33.26 37.61 0.78 o 3 1 3 2 39.41 42.31 0.86 o 3 1 3 3 0.00 1.10 25.15 < 3 1 3 4 11.29 14.05 1.44 o 3 1 3 5 2.66 3.20 5.40 < 5 1 3 -5 30.10 29.11 0.74 o 5 1 3 -4 38.71 40.07 0.73 o 5 1 3 -3 31.32 33.04 0.81 o 5 1 3 -2 12.41 11.88 1.09 o 5 1 3 -1 0.00 6.13 24.39 < 5 1 3 0 3.99 3.13 3.00 < 5 1 3 1 25.37 24.86 0.85 o 5 1 3 2 21.56 19.49 0.92 o 5 1 3 3 30.04 29.50 0.83 o 5 1 3 4 21.84 21.37 0.92 o 5 1 3 5 5.75 4.94 2.32 < 7 1 3 -5 3.58 1.86 2.99 < 7 1 3 -4 15.56 14.72 0.94 o 7 1 3 -3 10.55 11.00 1.13 o 7 1 3 -2 39.50 40.09 0.71 o 7 1 3 -1 44.95 45.90 0.74 o 7 1 3 0 5.61 4.01 2.00 < 7 1 3 1 47.01 47.86 0.79 o 7 1 3 2 27.37 26.72 0.79 o 7 1 3 3 2.02 4.01 5.58 < 7 1 3 4 9.59 11.60 1.37 o 7 1 3 5 16.46 16.00 1.00 o 9 1 3 -5 27.98 26.37 0.76 o 9 1 3 -4 40.49 40.36 0.73 o 9 1 3 -3 2.37 2.10 4.37 < 9 1 3 -2 11.59 10.84 1.08 o 9 1 3 -1 6.07 4.07 1.86 < 9 1 3 0 15.59 16.27 0.91 o 9 1 3 1 10.92 10.92 1.17 o 9 1 3 2 4.00 3.56 2.80 < 9 1 3 3 15.95 15.56 1.02 o 9 1 3 4 25.01 23.91 0.79 o 9 1 3 5 5.98 0.92 1.95 < 11 1 3 -5 5.36 6.35 2.04 < 11 1 3 -4 9.64 7.88 1.30 o 11 1 3 -3 11.21 10.86 1.16 o 11 1 3 -2 0.00 2.05 23.82 < 11 1 3 -1 42.21 41.19 0.75 o 11 1 3 0 4.37 3.47 2.64 < 11 1 3 1 23.75 23.55 0.79 o 11 1 3 2 6.24 6.09 1.87 < 11 1 3 3 0.00 0.47 23.77 < 11 1 3 4 3.59 0.68 3.12 < 11 1 3 5 18.50 17.16 0.94 o 13 1 3 -5 12.78 10.83 1.07 o 13 1 3 -4 18.90 18.36 0.87 o 13 1 3 -3 10.29 10.14 1.22 o 13 1 3 -2 4.07 4.79 2.85 < 13 1 3 -1 3.30 0.96 3.45 < 13 1 3 0 12.96 12.21 1.03 o 13 1 3 1 4.80 1.74 2.51 < 13 1 3 2 5.97 6.35 2.12 < 13 1 3 3 8.51 7.77 1.57 < 13 1 3 4 19.61 17.27 0.91 o 15 1 3 -5 5.73 5.65 2.32 < 15 1 3 -4 3.38 3.29 4.01 < 15 1 3 -3 5.01 0.96 2.79 < 15 1 3 -2 15.12 13.38 1.02 o 15 1 3 -1 24.80 23.46 0.82 o 1 2 3 -5 4.20 5.14 3.41 < 1 2 3 -4 32.48 37.01 1.04 o 1 2 3 -3 4.16 4.39 3.34 < 1 2 3 -2 15.27 18.95 1.20 o 1 2 3 -1 8.34 9.82 1.78 < 1 2 3 0 3.96 6.07 3.77 < 1 2 3 1 13.17 12.73 1.34 o 1 2 3 2 3.27 0.14 4.52 < 1 2 3 3 17.68 16.12 1.16 o 3 2 3 -5 10.21 10.74 1.73 < 3 2 3 -4 24.63 25.71 1.05 o 3 2 3 -3 11.39 11.73 1.56 o 3 2 3 -2 17.92 16.66 1.19 o 3 2 3 -1 16.63 16.26 1.41 o 3 2 3 0 15.45 16.96 1.30 o 3 2 3 1 13.49 14.89 1.32 o 3 2 3 2 6.02 1.63 2.49 < 5 2 3 -5 29.36 30.13 0.85 o 5 2 3 -4 24.55 22.80 0.95 o 5 2 3 -3 7.64 8.02 1.90 < 5 2 3 -2 20.08 20.70 1.04 o 5 2 3 -1 8.19 7.13 1.83 < 5 2 3 0 10.97 12.24 1.39 o 5 2 3 1 12.80 12.77 1.46 o 5 2 3 2 0.00 1.28 25.64 < 7 2 3 -5 19.36 19.93 0.94 o 7 2 3 -4 3.52 2.18 3.55 < 7 2 3 -3 8.29 7.99 1.62 < 7 2 3 -2 9.40 8.97 1.52 o 7 2 3 -1 11.56 9.89 1.31 o 7 2 3 0 22.39 21.44 0.96 o 9 2 3 -5 34.68 33.45 0.74 o 9 2 3 -4 2.49 1.09 4.74 < 9 2 3 -3 3.79 1.11 3.23 < 9 2 3 -2 7.60 7.66 1.76 < 9 2 3 -1 16.38 15.68 1.03 o 11 2 3 -5 0.63 1.44 17.71 < 11 2 3 -4 1.52 1.74 7.55 < 0 0 4 0 92.73 100.69 1.26 o 0 0 4 2 10.20 10.28 1.91 < 0 0 4 4 8.82 9.40 2.44 < 2 0 4 0 0.00 0.85 27.20 < 2 0 4 1 2.32 0.71 4.76 < 2 0 4 2 3.58 2.65 2.96 < 2 0 4 3 3.51 0.98 3.12 < 2 0 4 4 23.03 21.66 0.84 o 2 0 4 5 64.44 67.16 0.85 o 4 0 4 0 51.90 50.90 1.36 o 4 0 4 1 28.48 28.51 0.90 o 4 0 4 2 18.03 16.34 0.94 o 4 0 4 3 11.90 10.67 1.00 o 4 0 4 4 2.53 3.48 3.99 < 4 0 4 5 0.00 1.60 23.08 < 6 0 4 0 5.22 3.37 4.24 < 6 0 4 1 4.00 1.51 3.28 < 6 0 4 2 4.60 2.10 2.64 < 6 0 4 3 22.01 20.59 0.91 o 6 0 4 4 49.97 47.94 0.94 o 6 0 4 5 35.35 34.42 0.77 o 8 0 4 0 11.38 10.82 1.68 o 8 0 4 1 33.81 32.91 0.92 o 8 0 4 2 32.86 30.62 0.83 o 8 0 4 3 24.41 22.43 0.93 o 8 0 4 4 3.97 2.96 3.25 < 8 0 4 5 5.59 2.40 2.36 < 10 0 4 0 3.48 1.57 4.94 < 10 0 4 1 7.06 6.51 1.79 < 10 0 4 2 13.89 12.57 1.12 o 10 0 4 3 27.46 24.38 0.85 o 10 0 4 4 18.49 17.91 1.04 o 10 0 4 5 0.00 1.30 25.50 < 12 0 4 0 9.57 9.02 2.15 < 12 0 4 1 9.57 8.48 1.48 o 12 0 4 2 14.94 13.82 1.10 o 12 0 4 3 19.16 16.72 0.98 o 12 0 4 4 12.30 10.59 1.25 o 12 0 4 5 6.16 4.46 2.05 < 14 0 4 0 6.65 5.92 2.91 < 14 0 4 1 12.62 11.14 1.28 o 14 0 4 2 21.10 16.28 0.97 o 14 0 4 3 19.74 16.52 1.03 o 0 1 4 -5 12.21 11.40 2.03 o 0 1 4 -3 17.66 17.70 1.42 o 0 1 4 -1 50.18 52.87 1.08 o 0 1 4 1 24.33 27.29 1.66 o 0 1 4 3 5.21 1.41 3.45 < 0 1 4 5 22.09 22.24 1.75 o 2 1 4 -5 25.59 23.64 0.79 o 2 1 4 -4 32.15 31.71 0.76 o 2 1 4 -3 7.60 7.82 1.63 < 2 1 4 -2 7.37 7.73 1.70 < 2 1 4 -1 3.56 1.54 3.28 < 2 1 4 0 19.18 19.41 0.96 o 2 1 4 1 8.25 8.38 1.63 < 2 1 4 2 8.10 9.08 1.71 < 2 1 4 3 13.43 14.88 1.10 o 2 1 4 4 23.55 25.93 0.86 o 2 1 4 5 3.54 3.63 3.55 < 4 1 4 -5 6.89 6.74 1.65 < 4 1 4 -4 11.71 11.49 1.12 o 4 1 4 -3 0.84 3.04 13.45 < 4 1 4 -2 31.42 31.20 0.80 o 4 1 4 -1 42.99 42.12 0.80 o 4 1 4 0 3.52 2.32 3.48 < 4 1 4 1 33.37 33.87 0.81 o 4 1 4 2 22.33 21.41 0.93 o 4 1 4 3 0.00 0.70 24.65 < 4 1 4 4 8.67 9.97 1.61 < 4 1 4 5 14.88 15.82 1.15 o 6 1 4 -5 20.73 19.49 0.85 o 6 1 4 -4 21.82 20.43 0.85 o 6 1 4 -3 20.47 20.47 0.88 o 6 1 4 -2 0.00 1.03 23.87 < 6 1 4 -1 9.44 8.51 1.42 o 6 1 4 0 3.29 2.64 3.71 < 6 1 4 1 14.27 15.53 1.13 o 6 1 4 2 9.21 10.58 1.50 o 6 1 4 3 20.20 20.17 0.96 o 6 1 4 4 17.84 16.79 1.03 o 6 1 4 5 2.93 1.89 4.40 < 8 1 4 -5 0.00 1.41 25.15 < 8 1 4 -4 2.43 2.15 5.50 < 8 1 4 -3 24.81 23.11 1.01 o 8 1 4 -2 28.54 28.44 0.88 o 8 1 4 -1 3.61 5.94 3.55 < 8 1 4 0 6.52 4.31 2.06 < 8 1 4 1 15.99 15.47 1.20 o 8 1 4 2 20.34 20.65 0.96 o 8 1 4 3 3.51 2.30 3.69 < 8 1 4 4 9.99 10.70 1.49 o 8 1 4 5 1.76 1.76 7.53 < 10 1 4 -5 10.35 9.89 1.49 o 10 1 4 -4 16.88 15.47 1.14 o 10 1 4 -3 28.15 26.45 0.98 o 10 1 4 -2 12.69 10.89 1.36 o 10 1 4 -1 6.80 6.07 2.27 < 10 1 4 0 0.00 1.35 27.66 < 10 1 4 1 1.73 2.12 7.36 < 10 1 4 2 21.84 21.38 1.01 o 10 1 4 3 15.00 14.37 1.21 o 10 1 4 4 8.99 7.97 1.69 < 12 1 4 -5 0.00 0.79 26.12 < 12 1 4 -4 12.86 11.29 1.38 o 12 1 4 -3 28.06 25.44 0.96 o 12 1 4 -2 11.76 11.42 1.43 o 12 1 4 -1 0.63 1.86 22.14 < 12 1 4 0 1.92 1.72 7.72 < 0 2 4 -4 5.81 3.77 3.24 < 0 2 4 -2 12.25 13.46 1.90 o 2 2 4 -5 29.60 32.00 0.86 o 2 2 4 -4 3.94 2.92 3.19 < 2 2 4 -3 3.27 3.20 3.91 < 2 2 4 -2 8.01 8.66 1.95 < 2 2 4 -1 15.20 16.90 1.10 o 4 2 4 -5 13.56 14.22 1.13 o 4 2 4 -4 2.53 0.44 5.06 < 4 2 4 -3 7.46 7.45 1.82 < 4 2 4 -2 8.88 8.28 1.54 < 6 2 4 -5 14.76 16.27 1.12 o 6 2 4 -4 16.28 14.92 1.06 o 6 2 4 -3 5.81 5.52 2.35 < 8 2 4 -5 6.39 6.84 2.15 < 1 0 5 0 8.35 6.57 2.61 < 1 0 5 1 8.73 6.75 1.73 < 1 0 5 2 18.73 15.74 0.88 o 1 0 5 3 25.68 23.66 0.90 o 1 0 5 4 16.07 15.08 1.08 o 1 0 5 5 3.32 0.11 4.16 < 3 0 5 0 8.62 6.76 2.66 < 3 0 5 1 24.86 22.09 1.02 o 3 0 5 2 29.50 26.11 1.01 o 3 0 5 3 24.95 22.28 1.07 o 3 0 5 4 2.35 1.51 5.95 < 3 0 5 5 6.44 6.94 1.93 < 5 0 5 0 0.00 4.77 31.18 < 5 0 5 1 5.60 4.04 2.70 < 5 0 5 2 6.40 3.58 2.43 < 5 0 5 3 22.13 17.72 1.18 o 5 0 5 4 30.78 26.88 1.07 o 5 0 5 5 23.39 19.80 1.03 o 7 0 5 0 27.18 24.62 1.62 o 7 0 5 1 16.66 13.35 1.38 o 7 0 5 2 15.24 13.11 1.44 o 7 0 5 3 5.30 4.18 3.09 < 7 0 5 4 2.21 6.06 7.63 < 7 0 5 5 2.39 0.44 6.24 < 9 0 5 0 4.47 0.14 5.42 < 9 0 5 1 3.55 3.77 4.55 < 9 0 5 2 6.08 3.10 2.91 < 9 0 5 3 7.57 2.40 2.40 < 9 0 5 4 12.85 9.78 1.60 o 9 0 5 5 29.69 25.75 1.15 o 1 1 5 -5 5.18 4.63 2.68 < 1 1 5 -4 18.01 16.01 1.11 o 1 1 5 -3 30.99 29.78 0.93 o 1 1 5 -2 12.34 11.75 1.46 o 1 1 5 -1 3.70 3.03 4.03 < 1 1 5 0 4.77 0.77 3.25 < 1 1 5 1 1.61 0.32 9.09 < 1 1 5 2 22.51 21.67 1.13 o 1 1 5 3 11.92 11.61 1.53 o 1 1 5 4 10.51 8.54 1.74 o 3 1 5 -5 5.97 1.27 2.06 < 3 1 5 -4 3.29 0.21 3.80 < 3 1 5 -3 22.45 20.09 0.89 o 3 1 5 -2 20.38 19.17 0.94 o 3 1 5 -1 6.14 5.50 2.18 < 3 1 5 0 2.77 0.26 4.90 < 3 1 5 1 15.89 14.82 1.13 o 3 1 5 2 19.74 18.24 1.01 o 3 1 5 3 3.13 0.95 4.41 < 5 1 5 -5 11.56 11.14 1.48 o 5 1 5 -4 16.88 16.53 1.11 o 5 1 5 -3 14.43 14.55 1.18 o 5 1 5 -2 6.11 3.84 2.29 < 5 1 5 -1 1.73 2.03 8.08 < 5 1 5 0 0.00 0.46 25.74 < 5 1 5 1 10.38 9.54 1.45 o 5 1 5 2 9.63 8.04 1.59 o 7 1 5 -5 3.69 0.90 4.19 < 7 1 5 -4 0.55 5.26 28.02 < 7 1 5 -3 5.40 4.54 3.08 < 7 1 5 -2 18.64 15.88 1.21 o 7 1 5 -1 20.95 19.33 1.04 o 7 1 5 0 0.00 1.40 25.15 < 9 1 5 -5 11.39 9.56 1.58 o 9 1 5 -4 20.73 16.95 1.17 o #======================================================================= data_modular_2n_3 #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Pb1 S1' _chemical_formula_weight 239.2 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_ssg_name 'Bbmm(0\b0)s00' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3,-x4 3 -x1,x2+1/2,-x3,x4+1/2 4 x1,-x2+1/2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1,x2,-x3,x4 7 x1,-x2+1/2,x3,-x4+1/2 8 -x1,x2+1/2,x3,x4+1/2 9 x1+1/2,x2,x3+1/2,x4 10 -x1+1/2,-x2,x3+1/2,-x4 11 -x1+1/2,x2+1/2,-x3+1/2,x4+1/2 12 x1+1/2,-x2+1/2,-x3+1/2,-x4+1/2 13 -x1+1/2,-x2,-x3+1/2,-x4 14 x1+1/2,x2,-x3+1/2,x4 15 x1+1/2,-x2+1/2,x3+1/2,-x4+1/2 16 -x1+1/2,x2+1/2,x3+1/2,x4+1/2 _cell_length_a 13.535 _cell_length_b 1.8757 _cell_length_c 4.104 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 104.1907 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00000 0.09091 0.00000 _cell_subsystems_number 3 loop_ _cell_subsystem_code _cell_subsystem_description _cell_subsystem_matrix_W_1_1 _cell_subsystem_matrix_W_1_2 _cell_subsystem_matrix_W_1_3 _cell_subsystem_matrix_W_1_4 _cell_subsystem_matrix_W_2_1 _cell_subsystem_matrix_W_2_2 _cell_subsystem_matrix_W_2_3 _cell_subsystem_matrix_W_2_4 _cell_subsystem_matrix_W_3_1 _cell_subsystem_matrix_W_3_2 _cell_subsystem_matrix_W_3_3 _cell_subsystem_matrix_W_3_4 _cell_subsystem_matrix_W_4_1 _cell_subsystem_matrix_W_4_2 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 1 '1st subsystem' 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 2 '2nd subsystem' 3 -1 0 9 1 0 0 3 0 0 1 0 0 0 0 1 3 '3rd subsystem' 3 1 0 -9 1 0 0 -3 0 0 1 0 0 0 0 -1 _jana_cell_commen_supercell_matrix_1_1 1 _jana_cell_commen_supercell_matrix_1_2 0 _jana_cell_commen_supercell_matrix_1_3 0 _jana_cell_commen_supercell_matrix_2_1 0 _jana_cell_commen_supercell_matrix_2_2 11 _jana_cell_commen_supercell_matrix_2_3 0 _jana_cell_commen_supercell_matrix_3_1 0 _jana_cell_commen_supercell_matrix_3_2 0 _jana_cell_commen_supercell_matrix_3_3 1 _jana_cell_commen_t_section_1 0.5 _cell_formula_units_Z 16 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _cell_special_details ? _exptl_crystal_type_of_structure comp _exptl_crystal_density_diffrn 60.9889 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 172 _exptl_absorpt_coefficient_mu 651.605 _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1.000 _exptl_absorpt_correction_T_max 1.000 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_source 'X-ray tube' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_probe x-ray _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number ? _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max ? _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_unetI/netI ? _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_limit_index_m_1_min ? _diffrn_reflns_limit_index_m_1_max ? _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ? _reflns_number_total 1004 _reflns_number_gt 619 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0497 _refine_ls_wR_factor_gt 0.0515 _refine_ls_R_factor_all 0.0751 _refine_ls_wR_factor_ref 0.0534 _refine_ls_goodness_of_fit_ref 1.71 _refine_ls_goodness_of_fit_gt 2.12 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 1004 _refine_ls_number_parameters 26 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0212 _refine_ls_shift/su_mean 0.0036 _refine_diff_density_max ? _refine_diff_density_min ? _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 240(22) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source S 0.125 0.123 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' Pb -3.394 10.111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_subsystem_code _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group S0 S 1 0.6835(7) 0.25 0 Uani 0.036(3) 4 0.0909 d . . . Pb0 Pb 1 0.32670(14) 0.25 0 Uani 0.0580(7) 4 0.0909 d . . . Pb1 Pb 2 0 0 0 Uani 0.0347(2) 4 0.3333 d . . . S1 S 2 0 0.5 0 Uani 0.0417(13) 4 0.4167 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 S0 S 0.033(5) 0.034(5) 0.041(5) 0 0 0 Pb0 Pb 0.0471(10) 0.0822(15) 0.0447(10) 0 0 0 Pb1 Pb 0.0345(4) 0.0343(4) 0.0353(4) 0.0029(3) 0 0 S1 S 0.036(2) 0.044(3) 0.045(2) 0.0065(19) 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_y _atom_site_Fourier_wave_vector_z 1 0.00000 0.09091 0.00000 2 0.00000 0.18182 0.00000 loop_ _atom_site_occ_special_func_atom_site_label _atom_site_occ_special_func_crenel_c _atom_site_occ_special_func_crenel_w S0 0.25 0.0909 Pb0 0.25 0.0909 Pb1 0 0.3333 S1 0 0.4167 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Pb1x1 Pb1 x 1 Pb1y1 Pb1 y 1 Pb1z1 Pb1 z 1 Pb1x2 Pb1 x 2 Pb1y2 Pb1 y 2 Pb1z2 Pb1 z 2 S1x1 S1 x 1 S1y1 S1 y 1 S1z1 S1 z 1 S1x2 S1 x 2 S1y2 S1 y 2 S1z2 S1 z 2 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Pb1x1 0 0.095(2) Pb1y1 0 -0.1156(15) Pb1z1 0 0 Pb1x2 0 -0.0686(15) Pb1y2 0 0.0799(11) Pb1z2 0 0 S1x1 0 0.047(5) S1y1 0 -0.152(4) S1z1 0 0 S1x2 0 -0.010(4) S1y2 0 0.118(3) S1z2 0 0 #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_F_meas _refln_F_calc _refln_F_sigma _refln_include_status 2 0 0 2 17.32 13.94 0.93 o 2 0 0 3 12.77 10.34 0.97 o 2 0 0 4 74.48 66.46 0.97 o 2 0 0 5 177.24 167.01 1.88 o 4 0 0 0 125.80 130.82 1.48 o 4 0 0 1 84.67 82.55 0.98 o 4 0 0 2 45.09 41.03 0.71 o 4 0 0 3 27.07 25.26 0.67 o 4 0 0 4 11.99 7.24 1.07 o 4 0 0 5 12.02 10.43 0.98 o 6 0 0 0 7.25 5.74 2.33 < 6 0 0 1 7.49 7.52 1.67 < 6 0 0 2 2.05 1.57 4.88 < 6 0 0 3 60.08 57.47 0.85 o 6 0 0 4 128.75 135.77 1.42 o 6 0 0 5 93.95 93.22 1.13 o 8 0 0 0 24.94 22.96 1.31 o 8 0 0 1 87.85 91.78 1.11 o 8 0 0 2 84.14 85.39 1.09 o 8 0 0 3 58.06 57.25 0.86 o 8 0 0 4 4.25 3.27 2.82 < 8 0 0 5 7.83 6.80 1.80 < 10 0 0 0 8.12 1.91 2.59 < 10 0 0 1 12.35 13.68 1.33 o 10 0 0 2 31.37 30.14 0.94 o 10 0 0 3 61.99 62.64 0.97 o 10 0 0 4 42.44 44.35 0.91 o 10 0 0 5 8.22 8.91 1.77 < 12 0 0 0 26.97 27.76 1.39 o 12 0 0 1 19.02 20.05 1.14 o 12 0 0 2 36.17 34.74 0.93 o 12 0 0 3 40.28 40.12 0.93 o 12 0 0 4 23.52 23.87 1.19 o 12 0 0 5 7.84 7.50 2.45 < 14 0 0 0 10.16 9.00 2.92 < 14 0 0 1 27.47 27.09 1.21 o 14 0 0 2 40.41 40.25 1.09 o 14 0 0 3 40.19 41.35 1.11 o 14 0 0 4 6.84 4.52 2.62 < 14 0 0 5 20.25 20.16 1.40 o 16 0 0 0 8.70 10.29 2.89 < 16 0 0 1 6.50 7.37 2.78 < 16 0 0 2 7.35 8.07 2.57 < 16 0 0 3 25.14 23.54 1.34 o 16 0 0 4 27.34 27.99 1.20 o 16 0 0 5 25.06 23.57 1.33 o 18 0 0 0 24.87 23.35 1.87 o 18 0 0 1 10.84 10.11 1.95 < 18 0 0 2 15.53 15.29 1.59 o 18 0 0 3 4.75 5.28 3.85 < 18 0 0 4 9.81 9.89 2.17 < 18 0 0 5 0.00 3.83 31.34 < 0 1 0 -5 46.08 40.26 1.47 o 0 1 0 -3 69.29 59.97 1.51 o 0 1 0 -1 152.26 141.05 2.00 o 0 1 0 1 68.75 63.10 1.56 o 0 1 0 3 4.71 8.64 7.46 < 0 1 0 5 59.62 57.40 1.56 o 2 1 0 -5 90.50 82.83 1.12 o 2 1 0 -4 91.65 86.87 1.15 o 2 1 0 -3 21.37 17.70 1.19 o 2 1 0 -2 20.09 18.03 1.26 o 2 1 0 -1 6.90 5.69 3.05 < 2 1 0 0 58.71 55.92 1.06 o 2 1 0 1 25.09 24.02 1.14 o 2 1 0 2 30.62 25.89 1.09 o 2 1 0 3 42.55 41.46 0.99 o 2 1 0 4 68.43 67.49 1.04 o 2 1 0 5 9.89 8.22 2.57 < 4 1 0 -5 24.60 21.39 0.76 o 4 1 0 -4 41.58 37.82 0.74 o 4 1 0 -3 6.83 5.90 1.96 < 4 1 0 -2 91.59 87.81 1.15 o 4 1 0 -1 110.39 113.16 1.31 o 4 1 0 0 4.32 6.96 3.93 < 4 1 0 1 86.86 88.09 1.19 o 4 1 0 2 55.03 53.96 0.97 o 4 1 0 3 0.00 1.08 30.41 < 4 1 0 4 26.93 27.21 1.06 o 4 1 0 5 39.92 40.53 0.95 o 6 1 0 -5 57.90 56.63 0.82 o 6 1 0 -4 53.92 52.47 0.76 o 6 1 0 -3 49.12 49.04 0.75 o 6 1 0 -2 6.83 4.57 1.85 < 6 1 0 -1 28.50 26.15 0.95 o 6 1 0 0 7.41 5.15 1.83 < 6 1 0 1 45.04 43.87 0.80 o 6 1 0 2 28.18 26.69 0.86 o 6 1 0 3 52.97 52.56 0.83 o 6 1 0 4 40.55 40.33 0.85 o 6 1 0 5 0.00 2.19 26.50 < 8 1 0 -5 0.00 0.41 25.10 < 8 1 0 -4 8.40 9.10 1.79 < 8 1 0 -3 59.74 61.12 0.85 o 8 1 0 -2 70.65 73.37 0.89 o 8 1 0 -1 10.88 8.67 1.18 o 8 1 0 0 14.01 13.20 1.04 o 8 1 0 1 41.24 40.54 0.75 o 8 1 0 2 47.43 48.26 0.89 o 8 1 0 3 0.00 3.46 27.06 < 8 1 0 4 27.82 26.53 0.97 o 8 1 0 5 4.94 5.57 2.95 < 10 1 0 -5 24.85 24.63 0.94 o 10 1 0 -4 40.01 40.62 0.84 o 10 1 0 -3 62.97 66.10 0.94 o 10 1 0 -2 27.16 25.37 0.89 o 10 1 0 -1 15.98 13.78 1.18 o 10 1 0 0 5.75 4.71 2.24 < 10 1 0 1 5.09 6.49 2.71 < 10 1 0 2 49.76 52.71 0.86 o 10 1 0 3 36.89 35.28 0.86 o 10 1 0 4 20.33 18.96 1.05 o 10 1 0 5 19.41 18.97 1.05 o 12 1 0 -5 0.00 1.76 28.90 < 12 1 0 -4 27.01 26.74 0.99 o 12 1 0 -3 61.59 64.54 0.99 o 12 1 0 -2 28.67 28.72 0.86 o 12 1 0 -1 3.38 2.47 3.72 < 12 1 0 0 4.98 3.38 2.49 < 12 1 0 1 2.90 2.35 4.40 < 12 1 0 2 36.44 37.95 0.82 o 12 1 0 3 16.86 17.15 1.10 o 12 1 0 4 20.72 19.37 1.02 o 12 1 0 5 17.87 17.42 1.08 o 14 1 0 -5 3.82 3.52 4.67 < 14 1 0 -4 5.10 4.73 3.57 < 14 1 0 -3 30.72 30.22 1.20 o 14 1 0 -2 22.59 23.64 1.05 o 14 1 0 -1 12.32 10.63 1.24 o 14 1 0 0 3.30 4.30 3.74 < 14 1 0 1 25.29 24.57 0.95 o 14 1 0 2 31.02 30.25 0.86 o 14 1 0 3 0.00 1.25 25.64 < 14 1 0 4 6.38 4.51 2.30 < 14 1 0 5 2.47 0.51 6.01 < 16 1 0 -5 11.89 11.43 1.89 o 16 1 0 -4 23.17 21.41 1.39 o 16 1 0 -3 18.93 19.20 1.50 o 16 1 0 -2 6.68 7.07 2.14 < 16 1 0 -1 3.03 2.72 4.73 < 16 1 0 0 0.00 1.42 27.11 < 16 1 0 1 8.47 11.01 1.93 < 16 1 0 2 10.57 10.34 1.61 o 16 1 0 3 12.39 13.22 1.33 o 16 1 0 4 12.02 11.27 1.51 o 16 1 0 5 5.34 5.28 2.88 < 18 1 0 -5 5.48 0.78 3.71 < 18 1 0 -4 3.10 3.93 6.71 < 18 1 0 -3 7.22 5.63 2.39 < 18 1 0 -2 14.21 13.85 1.30 o 18 1 0 -1 17.11 16.66 1.23 o 0 2 0 -4 9.69 9.27 3.79 < 0 2 0 -2 35.08 36.50 1.74 o 0 2 0 0 52.10 51.44 2.16 o 0 2 0 2 25.18 26.58 3.00 o 0 2 0 4 32.74 30.95 2.58 o 2 2 0 -5 80.04 78.11 1.23 o 2 2 0 -4 2.59 3.99 9.25 < 2 2 0 -3 8.14 8.54 3.46 < 2 2 0 -2 19.62 22.46 1.82 o 2 2 0 -1 41.95 39.96 1.63 o 2 2 0 0 10.57 9.28 3.64 < 2 2 0 1 8.73 4.54 4.00 < 2 2 0 2 7.22 3.49 4.73 < 2 2 0 3 3.30 6.83 9.92 < 2 2 0 4 8.09 2.78 4.37 < 2 2 0 5 31.49 27.00 1.79 o 4 2 0 -5 36.35 36.39 0.95 o 4 2 0 -4 4.62 1.40 3.93 < 4 2 0 -3 19.32 18.38 1.29 o 4 2 0 -2 21.06 20.29 1.27 o 4 2 0 -1 20.54 18.51 1.66 o 4 2 0 0 38.23 36.15 1.53 o 4 2 0 1 20.48 15.28 2.10 o 4 2 0 2 12.69 12.78 2.82 < 4 2 0 3 17.92 18.99 2.37 o 4 2 0 4 20.08 15.64 2.19 o 4 2 0 5 6.40 4.28 5.63 < 6 2 0 -5 34.96 38.44 0.89 o 6 2 0 -4 33.93 33.92 0.87 o 6 2 0 -3 14.89 14.56 1.19 o 6 2 0 -2 35.04 34.25 0.98 o 6 2 0 -1 12.28 12.28 1.63 o 6 2 0 0 19.20 19.00 1.42 o 6 2 0 1 17.83 17.16 1.31 o 6 2 0 2 8.98 5.01 2.67 < 6 2 0 3 11.64 12.82 2.34 < 6 2 0 4 16.95 15.49 1.73 o 6 2 0 5 14.17 14.41 2.01 o 8 2 0 -5 16.44 16.16 1.20 o 8 2 0 -4 31.51 31.37 0.95 o 8 2 0 -3 16.86 17.93 1.16 o 8 2 0 -2 24.46 23.36 0.99 o 8 2 0 -1 18.55 17.86 1.08 o 8 2 0 0 20.76 21.62 1.14 o 8 2 0 1 14.50 16.12 1.39 o 8 2 0 2 1.95 1.15 8.41 < 8 2 0 3 28.78 27.14 1.06 o 8 2 0 4 5.82 1.71 3.44 < 10 2 0 -5 2.12 5.56 6.69 < 10 2 0 -4 35.45 34.44 0.86 o 10 2 0 -3 6.16 3.66 2.32 < 10 2 0 -2 23.78 23.45 1.05 o 10 2 0 -1 8.69 10.01 1.95 < 10 2 0 0 6.93 4.73 2.32 < 10 2 0 1 13.73 12.76 1.38 o 10 2 0 2 5.07 1.20 3.21 < 10 2 0 3 18.44 16.22 1.21 o 12 2 0 -5 3.78 3.55 3.74 < 12 2 0 -4 31.89 30.48 0.88 o 12 2 0 -3 7.76 6.57 1.93 < 12 2 0 -2 11.40 12.24 1.43 o 12 2 0 -1 1.95 4.74 8.49 < 12 2 0 0 8.12 4.70 2.19 < 12 2 0 1 11.66 10.14 2.00 < 14 2 0 -5 6.07 5.56 2.49 < 14 2 0 -4 16.20 15.98 1.18 o 14 2 0 -3 4.64 5.38 3.18 < 14 2 0 -2 12.01 10.82 1.75 o 0 3 0 -5 14.59 11.52 3.63 < 2 3 0 -5 0.00 0.36 40.74 < 2 3 0 -4 16.77 15.29 2.39 o 4 3 0 -5 13.15 10.62 3.00 < 6 3 0 -5 1.97 0.76 12.91 < 1 0 1 0 40.01 37.03 0.64 o 1 0 1 1 25.00 22.73 0.51 o 1 0 1 2 77.29 71.39 0.94 o 1 0 1 3 109.68 103.82 1.22 o 1 0 1 4 63.67 57.20 0.89 o 1 0 1 5 13.68 10.25 1.01 o 3 0 1 0 17.97 15.70 0.87 o 3 0 1 1 104.19 103.68 1.10 o 3 0 1 2 125.04 125.42 1.31 o 3 0 1 3 103.57 100.82 1.14 o 3 0 1 4 3.66 2.59 2.51 < 3 0 1 5 39.02 34.81 0.62 o 5 0 1 0 16.69 16.00 0.85 o 5 0 1 1 26.36 25.81 0.57 o 5 0 1 2 9.80 8.69 0.91 o 5 0 1 3 82.70 81.45 0.93 o 5 0 1 4 115.34 121.13 1.22 o 5 0 1 5 79.31 79.22 0.90 o 7 0 1 0 86.68 93.37 1.12 o 7 0 1 1 56.71 58.17 0.74 o 7 0 1 2 51.75 51.38 0.71 o 7 0 1 3 9.70 9.98 1.09 o 7 0 1 4 26.87 27.49 0.69 o 7 0 1 5 6.09 3.44 1.44 < 9 0 1 0 3.05 4.02 4.80 < 9 0 1 1 14.29 15.56 0.92 o 9 0 1 2 17.53 18.16 0.78 o 9 0 1 3 4.54 3.94 2.20 < 9 0 1 4 43.28 43.74 0.70 o 9 0 1 5 90.69 97.60 1.04 o 11 0 1 0 110.24 123.54 1.35 o 11 0 1 1 12.65 12.12 1.02 o 11 0 1 2 15.29 14.77 0.93 o 11 0 1 3 10.04 10.18 1.21 o 11 0 1 4 12.65 14.29 0.99 o 11 0 1 5 8.53 8.53 1.29 o 13 0 1 0 5.92 8.11 2.49 < 13 0 1 1 3.82 2.26 2.68 < 13 0 1 2 5.23 6.61 2.00 < 13 0 1 3 2.45 0.97 4.23 < 13 0 1 4 16.37 16.27 0.96 o 13 0 1 5 65.03 67.57 0.88 o 15 0 1 0 41.94 42.82 0.99 o 15 0 1 1 18.46 19.87 0.90 o 15 0 1 2 7.40 8.38 1.63 < 15 0 1 3 15.96 16.60 0.96 o 15 0 1 4 3.65 0.88 3.11 < 15 0 1 5 1.87 2.29 6.36 < 17 0 1 0 0.00 3.15 31.58 < 17 0 1 1 1.52 2.62 8.47 < 17 0 1 2 2.70 2.95 4.83 < 17 0 1 3 8.18 7.23 1.72 < 17 0 1 4 31.71 30.73 0.87 o 17 0 1 5 28.18 25.11 0.91 o 19 0 1 0 10.04 7.44 2.27 < 19 0 1 1 18.55 17.72 1.09 o 1 1 1 -5 15.86 13.59 1.03 o 1 1 1 -4 83.89 77.95 1.02 o 1 1 1 -3 132.01 129.17 1.45 o 1 1 1 -2 47.87 47.68 0.85 o 1 1 1 -1 11.85 10.84 1.42 o 1 1 1 0 7.23 5.56 2.12 < 1 1 1 1 0.00 0.47 27.39 < 1 1 1 2 88.93 89.13 1.12 o 1 1 1 3 47.24 44.52 0.99 o 1 1 1 4 27.69 31.28 1.12 o 1 1 1 5 36.39 35.19 1.16 o 3 1 1 -5 16.98 15.12 0.71 o 3 1 1 -4 6.69 1.60 1.63 < 3 1 1 -3 88.16 89.05 1.01 o 3 1 1 -2 78.96 78.14 0.95 o 3 1 1 -1 11.85 11.15 1.16 o 3 1 1 0 4.57 1.92 2.78 < 3 1 1 1 64.64 64.22 0.86 o 3 1 1 2 68.07 67.60 0.89 o 3 1 1 3 3.22 3.84 4.26 < 3 1 1 4 21.57 22.45 0.90 o 3 1 1 5 7.18 6.60 2.06 < 5 1 1 -5 53.46 51.29 0.68 o 5 1 1 -4 67.98 66.54 0.81 o 5 1 1 -3 53.22 52.27 0.70 o 5 1 1 -2 23.60 22.18 0.67 o 5 1 1 -1 11.53 12.11 1.03 o 5 1 1 0 7.70 6.92 1.38 < 5 1 1 1 41.16 41.79 0.66 o 5 1 1 2 33.86 32.66 0.70 o 5 1 1 3 47.85 48.07 0.73 o 5 1 1 4 33.61 34.09 0.73 o 5 1 1 5 8.05 6.10 1.57 < 7 1 1 -5 4.28 2.22 2.13 < 7 1 1 -4 28.44 26.77 0.61 o 7 1 1 -3 18.33 17.58 0.71 o 7 1 1 -2 65.36 67.10 0.78 o 7 1 1 -1 71.33 73.71 0.83 o 7 1 1 0 7.80 7.48 1.28 o 7 1 1 1 72.10 77.31 0.84 o 7 1 1 2 41.03 43.08 0.64 o 7 1 1 3 5.18 5.70 1.88 < 7 1 1 4 17.83 19.06 0.74 o 7 1 1 5 24.29 25.46 0.73 o 9 1 1 -5 47.41 45.94 0.72 o 9 1 1 -4 61.81 65.00 0.79 o 9 1 1 -3 2.26 2.58 3.79 < 9 1 1 -2 18.56 18.35 0.70 o 9 1 1 -1 8.11 7.57 1.16 o 9 1 1 0 26.74 25.99 0.63 o 9 1 1 1 19.65 19.09 0.68 o 9 1 1 2 6.74 6.81 1.40 < 9 1 1 3 27.22 25.62 0.65 o 9 1 1 4 34.93 37.00 0.65 o 9 1 1 5 4.00 0.74 2.46 < 11 1 1 -5 9.75 10.91 1.12 o 11 1 1 -4 13.63 13.01 0.95 o 11 1 1 -3 19.11 20.66 0.81 o 11 1 1 -2 5.11 3.78 1.75 < 11 1 1 -1 63.06 65.10 0.77 o 11 1 1 0 7.57 5.28 1.22 o 11 1 1 1 34.14 34.46 0.62 o 11 1 1 2 9.67 10.48 1.06 o 11 1 1 3 3.11 0.81 3.26 < 11 1 1 4 5.08 2.10 2.16 < 11 1 1 5 27.86 27.05 0.77 o 13 1 1 -5 19.52 18.10 0.79 o 13 1 1 -4 28.77 26.84 0.72 o 13 1 1 -3 15.93 15.47 0.89 o 13 1 1 -2 6.07 8.00 1.57 < 13 1 1 -1 1.30 1.64 6.83 < 13 1 1 0 19.11 19.30 0.74 o 13 1 1 1 5.10 3.42 1.91 < 13 1 1 2 9.88 11.05 1.17 o 13 1 1 3 11.36 12.21 1.09 o 13 1 1 4 27.66 26.05 0.75 o 13 1 1 5 7.71 6.38 1.52 < 15 1 1 -5 9.27 8.61 1.36 o 15 1 1 -4 5.99 5.87 2.10 < 15 1 1 -3 3.62 1.18 3.37 < 15 1 1 -2 20.70 21.34 0.76 o 15 1 1 -1 36.26 35.83 0.65 o 15 1 1 0 5.27 2.67 2.00 < 15 1 1 1 26.08 24.75 0.73 o 15 1 1 2 18.76 18.94 0.81 o 15 1 1 3 2.85 0.85 3.60 < 15 1 1 4 7.51 6.96 1.51 < 15 1 1 5 14.64 13.62 0.94 o 17 1 1 -5 12.60 11.51 1.21 o 17 1 1 -4 11.76 10.07 1.27 o 17 1 1 -3 15.46 15.18 1.11 o 17 1 1 -2 5.07 3.36 2.36 < 17 1 1 -1 6.34 5.46 1.84 < 17 1 1 0 4.48 4.71 2.51 < 17 1 1 1 7.89 9.02 1.49 < 17 1 1 2 5.61 5.47 2.10 < 1 2 1 -5 8.72 9.62 2.29 < 1 2 1 -4 59.59 58.83 1.07 o 1 2 1 -3 7.75 6.30 2.57 < 1 2 1 -2 28.77 29.03 1.11 o 1 2 1 -1 13.94 14.36 1.60 o 1 2 1 0 9.80 7.66 2.03 < 1 2 1 1 21.05 19.48 1.21 o 1 2 1 2 4.85 0.32 3.73 < 1 2 1 3 29.07 24.79 1.20 o 1 2 1 4 17.53 13.64 1.66 o 1 2 1 5 0.00 7.53 34.21 < 3 2 1 -5 17.52 15.40 1.27 o 3 2 1 -4 41.94 41.79 0.91 o 3 2 1 -3 16.17 18.39 1.38 o 3 2 1 -2 25.44 26.14 1.10 o 3 2 1 -1 27.13 23.94 1.09 o 3 2 1 0 28.78 28.28 1.05 o 3 2 1 1 22.95 22.91 1.12 o 3 2 1 2 0.00 2.30 31.62 < 3 2 1 3 29.97 31.47 1.15 o 3 2 1 4 6.90 3.98 3.54 < 3 2 1 5 7.03 3.41 3.39 < 5 2 1 -5 45.25 48.13 0.74 o 5 2 1 -4 36.08 34.88 0.73 o 5 2 1 -3 13.41 13.24 1.05 o 5 2 1 -2 33.54 33.40 0.79 o 5 2 1 -1 9.54 10.49 1.55 o 5 2 1 0 17.62 18.68 1.05 o 5 2 1 1 20.01 20.51 1.13 o 5 2 1 2 0.00 2.50 28.33 < 5 2 1 3 9.53 11.48 1.94 < 5 2 1 4 18.26 15.24 1.26 o 5 2 1 5 14.06 14.71 1.73 o 7 2 1 -5 31.57 31.48 0.68 o 7 2 1 -4 7.33 4.09 1.44 < 7 2 1 -3 13.08 12.68 0.93 o 7 2 1 -2 13.06 14.08 1.03 o 7 2 1 -1 15.96 14.96 0.95 o 7 2 1 0 32.95 32.62 0.75 o 7 2 1 1 12.28 10.03 1.18 o 7 2 1 2 6.79 9.22 2.10 < 7 2 1 3 13.41 13.43 1.31 o 7 2 1 4 14.82 13.20 1.34 o 7 2 1 5 2.76 3.73 6.49 < 9 2 1 -5 52.46 51.23 0.74 o 9 2 1 -4 2.24 1.52 5.46 < 9 2 1 -3 0.00 1.37 23.61 < 9 2 1 -2 13.21 12.16 1.10 o 9 2 1 -1 22.31 23.08 0.83 o 9 2 1 0 9.13 7.91 1.38 o 9 2 1 1 6.35 3.62 2.03 < 9 2 1 2 5.60 1.34 2.22 < 9 2 1 3 4.36 3.55 2.85 < 11 2 1 -5 4.53 2.61 2.43 < 11 2 1 -4 2.90 3.61 3.95 < 11 2 1 -3 2.00 2.38 5.75 < 11 2 1 -2 15.89 16.79 1.01 o 11 2 1 -1 7.76 2.61 1.59 < 11 2 1 0 29.01 27.41 0.81 o 11 2 1 1 0.95 0.43 12.33 < 13 2 1 -5 33.75 32.65 0.71 o 13 2 1 -4 6.02 4.76 1.97 < 13 2 1 -3 5.93 4.83 1.92 < 13 2 1 -2 7.08 8.69 1.69 < 13 2 1 -1 17.37 17.14 0.95 o 15 2 1 -5 7.57 8.38 1.61 < 1 3 1 -5 12.92 10.54 2.32 < 1 3 1 -4 7.28 0.73 3.37 < 3 3 1 -5 8.70 10.51 2.61 < 5 3 1 -5 0.00 0.92 34.57 < 0 0 2 2 19.28 16.68 1.03 o 0 0 2 4 17.78 17.52 1.71 o 2 0 2 0 4.58 0.18 2.16 < 2 0 2 1 0.00 0.95 19.30 < 2 0 2 2 9.27 8.62 0.91 o 2 0 2 3 7.66 6.52 1.42 < 2 0 2 4 50.74 48.64 0.76 o 2 0 2 5 129.22 138.66 1.40 o 4 0 2 0 100.93 104.68 1.18 o 4 0 2 1 62.95 62.64 0.74 o 4 0 2 2 33.20 31.64 0.60 o 4 0 2 3 20.00 19.52 0.68 o 4 0 2 4 7.73 6.57 1.30 < 4 0 2 5 7.80 5.91 1.34 < 6 0 2 0 5.70 5.37 1.76 < 6 0 2 1 5.78 4.91 1.33 < 6 0 2 2 1.73 0.33 4.76 < 6 0 2 3 44.33 42.65 0.64 o 6 0 2 4 97.14 103.29 1.07 o 6 0 2 5 69.83 70.55 0.81 o 8 0 2 0 19.56 18.16 1.07 o 8 0 2 1 66.21 69.68 0.81 o 8 0 2 2 63.50 64.38 0.79 o 8 0 2 3 43.97 44.25 0.67 o 8 0 2 4 5.19 3.28 1.87 < 8 0 2 5 5.07 5.56 2.11 < 10 0 2 0 4.69 1.24 2.88 < 10 0 2 1 11.22 11.41 1.05 o 10 0 2 2 24.88 23.70 0.68 o 10 0 2 3 48.51 48.45 0.71 o 10 0 2 4 34.00 34.99 0.70 o 10 0 2 5 4.15 6.18 2.41 < 12 0 2 0 20.80 21.35 1.14 o 12 0 2 1 16.93 16.12 0.95 o 12 0 2 2 27.69 27.14 0.77 o 12 0 2 3 32.08 31.68 0.74 o 12 0 2 4 18.71 19.52 0.83 o 12 0 2 5 6.15 6.20 1.70 < 14 0 2 0 7.49 7.73 2.77 < 14 0 2 1 22.04 21.68 1.01 o 14 0 2 2 32.93 31.63 0.82 o 14 0 2 3 32.89 32.71 0.83 o 14 0 2 4 2.77 3.84 4.52 < 14 0 2 5 13.63 15.86 1.16 o 16 0 2 0 5.36 8.46 3.78 < 16 0 2 1 3.03 5.63 4.83 < 16 0 2 2 5.54 6.51 2.41 < 16 0 2 3 20.25 18.61 1.00 o 16 0 2 4 23.72 22.46 0.94 o 16 0 2 5 21.08 19.15 0.98 o 18 0 2 0 20.60 19.18 1.53 o 18 0 2 1 9.24 8.25 1.71 < 18 0 2 2 14.28 12.33 1.34 o 18 0 2 3 8.35 4.48 1.99 < 0 1 2 -5 30.60 27.99 1.12 o 0 1 2 -3 42.54 42.32 0.99 o 0 1 2 -1 106.45 109.57 1.46 o 0 1 2 1 47.69 50.42 1.19 o 0 1 2 3 1.45 5.75 17.53 < 0 1 2 5 36.63 44.63 1.31 o 2 1 2 -5 58.00 55.96 0.80 o 2 1 2 -4 65.04 64.66 0.87 o 2 1 2 -3 14.92 14.12 1.00 o 2 1 2 -2 14.35 14.23 1.14 o 2 1 2 -1 2.24 4.23 5.77 < 2 1 2 0 37.48 41.64 0.77 o 2 1 2 1 16.35 18.13 1.07 o 2 1 2 2 19.98 19.30 0.95 o 2 1 2 3 29.53 31.42 0.92 o 2 1 2 4 49.25 52.30 1.00 o 2 1 2 5 6.80 6.52 2.47 < 4 1 2 -5 15.42 15.17 0.90 o 4 1 2 -4 29.46 27.06 0.70 o 4 1 2 -3 3.33 4.48 3.09 < 4 1 2 -2 64.56 66.34 0.83 o 4 1 2 -1 80.74 86.70 0.97 o 4 1 2 0 4.92 5.09 2.36 < 4 1 2 1 63.60 68.09 0.86 o 4 1 2 2 41.25 42.03 0.73 o 4 1 2 3 2.95 0.98 4.10 < 4 1 2 4 20.04 20.78 0.96 o 4 1 2 5 31.03 31.53 0.85 o 6 1 2 -5 42.83 42.48 0.66 o 6 1 2 -4 41.00 40.56 0.66 o 6 1 2 -3 37.29 38.75 0.67 o 6 1 2 -2 2.68 3.17 3.58 < 6 1 2 -1 19.64 19.14 0.75 o 6 1 2 0 4.96 4.45 2.11 < 6 1 2 1 34.38 33.43 0.69 o 6 1 2 2 21.26 20.66 0.82 o 6 1 2 3 40.14 40.95 0.69 o 6 1 2 4 33.25 31.86 0.71 o 6 1 2 5 0.00 1.88 23.29 < 8 1 2 -5 0.00 0.59 20.55 < 8 1 2 -4 5.80 6.52 1.64 < 8 1 2 -3 46.05 47.09 0.70 o 8 1 2 -2 55.58 56.99 0.75 o 8 1 2 -1 8.10 7.76 1.24 o 8 1 2 0 10.12 9.81 1.06 o 8 1 2 1 32.21 31.44 0.67 o 8 1 2 2 36.84 38.65 0.66 o 8 1 2 3 2.07 3.16 4.70 < 8 1 2 4 21.02 20.86 0.76 o 8 1 2 5 4.22 4.16 2.61 < 10 1 2 -5 19.50 19.20 0.80 o 10 1 2 -4 31.77 31.06 0.66 o 10 1 2 -3 49.80 51.95 0.72 o 10 1 2 -2 20.80 20.37 0.73 o 10 1 2 -1 12.22 10.76 0.94 o 10 1 2 0 3.30 3.43 2.83 < 10 1 2 1 6.40 4.99 1.54 < 10 1 2 2 40.76 41.56 0.66 o 10 1 2 3 29.77 27.90 0.68 o 10 1 2 4 15.67 15.32 0.82 o 10 1 2 5 14.25 14.91 0.87 o 12 1 2 -5 2.81 1.02 3.77 < 12 1 2 -4 23.25 20.87 0.76 o 12 1 2 -3 49.97 50.82 0.72 o 12 1 2 -2 23.83 22.87 0.73 o 12 1 2 -1 1.95 2.05 5.08 < 12 1 2 0 5.39 2.74 1.85 < 12 1 2 1 0.89 1.62 11.01 < 12 1 2 2 30.11 30.26 0.69 o 12 1 2 3 13.94 13.94 0.90 o 12 1 2 4 17.69 15.63 0.77 o 12 1 2 5 13.78 13.77 0.95 o 14 1 2 -5 0.00 2.42 23.72 < 14 1 2 -4 3.75 3.64 2.90 < 14 1 2 -3 26.28 24.04 0.71 o 14 1 2 -2 18.63 19.25 0.79 o 14 1 2 -1 9.87 8.93 1.19 o 14 1 2 0 1.48 3.38 6.67 < 14 1 2 1 20.71 19.52 0.78 o 14 1 2 2 26.16 24.52 0.74 o 14 1 2 3 4.00 0.90 2.85 < 14 1 2 4 3.99 3.83 2.82 < 14 1 2 5 4.00 0.44 2.99 < 16 1 2 -5 10.39 9.17 1.43 o 16 1 2 -4 18.98 17.30 0.94 o 16 1 2 -3 16.76 15.71 0.94 o 16 1 2 -2 7.55 5.42 1.81 < 16 1 2 -1 0.00 2.19 24.49 < 16 1 2 0 4.46 0.88 2.51 < 16 1 2 1 8.25 8.85 1.45 < 16 1 2 2 10.48 8.28 1.20 o 0 2 2 -4 5.18 7.17 4.58 < 0 2 2 -2 21.94 28.51 1.80 o 0 2 2 0 43.44 41.40 2.03 o 0 2 2 2 21.19 21.07 1.92 o 0 2 2 4 25.00 24.85 1.79 o 2 2 2 -5 59.18 61.87 1.02 o 2 2 2 -4 3.29 3.66 5.80 < 2 2 2 -3 5.87 6.68 2.83 < 2 2 2 -2 13.63 17.56 1.45 o 2 2 2 -1 29.25 31.79 1.07 o 2 2 2 0 8.51 7.43 2.10 < 2 2 2 1 0.00 3.84 28.42 < 2 2 2 2 5.90 2.68 3.03 < 2 2 2 3 2.86 5.45 6.13 < 2 2 2 4 6.80 2.46 2.65 < 2 2 2 5 22.42 21.91 1.16 o 4 2 2 -5 30.05 28.17 0.85 o 4 2 2 -4 3.38 0.94 4.01 < 4 2 2 -3 15.48 14.34 1.27 o 4 2 2 -2 17.15 16.31 1.21 o 4 2 2 -1 15.86 14.92 1.52 o 4 2 2 0 28.03 29.25 1.04 o 4 2 2 1 13.53 12.29 1.37 o 4 2 2 2 8.23 10.35 2.01 < 4 2 2 3 14.41 15.44 1.38 o 4 2 2 4 13.42 12.73 1.46 o 4 2 2 5 2.24 3.46 8.21 < 6 2 2 -5 29.78 30.58 0.73 o 6 2 2 -4 28.41 27.25 0.74 o 6 2 2 -3 11.95 11.44 1.08 o 6 2 2 -2 28.64 27.25 0.79 o 6 2 2 -1 10.18 9.90 1.36 o 6 2 2 0 15.86 15.12 1.11 o 6 2 2 1 12.47 13.65 1.51 o 6 2 2 2 2.98 3.82 4.84 < 6 2 2 3 9.72 10.42 1.76 < 6 2 2 4 12.10 12.55 1.49 o 8 2 2 -5 14.02 12.94 0.91 o 8 2 2 -4 24.85 24.88 0.72 o 8 2 2 -3 14.31 14.26 0.93 o 8 2 2 -2 20.32 18.78 0.79 o 8 2 2 -1 14.76 14.48 0.96 o 8 2 2 0 16.86 17.13 0.95 o 8 2 2 1 12.83 13.13 1.28 o 8 2 2 2 4.99 1.07 3.18 < 10 2 2 -5 4.38 4.32 2.32 < 10 2 2 -4 29.60 27.65 0.72 o 10 2 2 -3 3.05 3.21 3.61 < 10 2 2 -2 19.49 18.98 0.82 o 10 2 2 -1 3.69 8.01 3.50 < 10 2 2 0 5.59 3.76 2.34 < 10 2 2 1 11.55 10.43 1.30 o 12 2 2 -5 0.00 2.89 22.86 < 12 2 2 -4 26.50 24.48 0.79 o 12 2 2 -3 8.16 5.45 1.63 < 12 2 2 -2 9.44 10.19 1.53 o 14 2 2 -5 5.81 4.72 2.14 < 1 0 3 0 20.36 19.93 0.74 o 1 0 3 1 14.51 14.16 0.64 o 1 0 3 2 40.99 40.48 0.66 o 1 0 3 3 59.03 60.90 0.77 o 1 0 3 4 34.96 35.41 0.73 o 1 0 3 5 4.21 3.89 2.85 < 3 0 3 0 11.43 11.47 1.32 o 3 0 3 1 56.68 57.81 0.76 o 3 0 3 2 69.10 70.08 0.86 o 3 0 3 3 56.14 56.91 0.79 o 3 0 3 4 0.00 0.26 22.69 < 3 0 3 5 19.39 19.05 0.84 o 5 0 3 0 11.48 10.77 1.34 o 5 0 3 1 13.90 13.15 0.75 o 5 0 3 2 7.15 6.16 1.44 < 5 0 3 3 46.12 45.61 0.69 o 5 0 3 4 67.51 70.53 0.84 o 5 0 3 5 46.06 46.99 0.72 o 7 0 3 0 58.50 57.57 0.93 o 7 0 3 1 34.04 34.16 0.71 o 7 0 3 2 31.21 30.63 0.72 o 7 0 3 3 7.54 7.81 1.51 < 7 0 3 4 15.70 16.16 0.93 o 7 0 3 5 0.00 0.41 22.64 < 9 0 3 0 0.00 1.41 27.20 < 9 0 3 1 8.81 9.91 1.46 o 9 0 3 2 8.72 9.84 1.34 o 9 0 3 3 4.68 3.07 2.19 < 9 0 3 4 26.53 25.87 0.74 o 9 0 3 5 60.31 60.70 0.81 o 11 0 3 0 74.49 77.02 1.20 o 11 0 3 1 7.18 6.86 1.77 < 11 0 3 2 11.71 10.09 1.23 o 11 0 3 3 6.56 6.01 1.72 < 11 0 3 4 7.81 9.67 1.53 < 11 0 3 5 5.15 4.83 2.04 < 13 0 3 0 3.39 5.13 5.03 < 13 0 3 1 4.20 0.57 2.97 < 13 0 3 2 4.62 4.25 2.76 < 13 0 3 3 4.11 0.55 3.00 < 13 0 3 4 10.94 10.54 1.38 o 13 0 3 5 44.62 43.06 0.80 o 15 0 3 0 28.65 27.91 1.26 o 15 0 3 1 14.09 12.85 1.21 o 15 0 3 2 6.00 6.02 2.32 < 15 0 3 3 10.01 10.96 1.46 o 15 0 3 4 1.55 0.20 8.52 < 15 0 3 5 0.00 1.87 25.10 < 1 1 3 -5 8.85 9.39 1.52 < 1 1 3 -4 40.98 42.54 0.80 o 1 1 3 -3 70.63 76.09 1.00 o 1 1 3 -2 29.84 28.23 0.97 o 1 1 3 -1 4.81 6.40 2.75 < 1 1 3 0 5.22 2.80 2.54 < 1 1 3 1 1.26 0.42 10.71 < 1 1 3 2 50.03 53.55 1.07 o 1 1 3 3 28.27 27.39 1.05 o 1 1 3 4 17.72 19.83 1.11 o 1 1 3 5 20.29 21.09 1.06 o 3 1 3 -5 8.11 6.81 1.52 < 3 1 3 -4 0.00 0.58 24.19 < 3 1 3 -3 48.82 51.66 0.79 o 3 1 3 -2 45.44 46.92 0.79 o 3 1 3 -1 7.60 8.94 1.79 < 3 1 3 0 1.92 0.87 5.93 < 3 1 3 1 33.26 37.81 0.78 o 3 1 3 2 39.41 42.32 0.86 o 3 1 3 3 0.00 1.36 25.15 < 3 1 3 4 11.29 14.05 1.44 o 3 1 3 5 2.66 3.56 5.40 < 5 1 3 -5 30.10 29.40 0.74 o 5 1 3 -4 38.71 39.76 0.73 o 5 1 3 -3 31.32 32.74 0.81 o 5 1 3 -2 12.41 11.90 1.09 o 5 1 3 -1 0.00 6.41 24.39 < 5 1 3 0 3.99 2.90 3.00 < 5 1 3 1 25.37 24.82 0.85 o 5 1 3 2 21.56 19.60 0.92 o 5 1 3 3 30.04 29.63 0.83 o 5 1 3 4 21.84 21.88 0.92 o 5 1 3 5 5.75 4.67 2.32 < 7 1 3 -5 3.58 1.42 2.99 < 7 1 3 -4 15.56 15.01 0.94 o 7 1 3 -3 10.55 10.23 1.13 o 7 1 3 -2 39.50 40.05 0.71 o 7 1 3 -1 44.95 45.54 0.74 o 7 1 3 0 5.61 4.01 2.00 < 7 1 3 1 47.01 47.82 0.79 o 7 1 3 2 27.37 27.09 0.79 o 7 1 3 3 2.02 3.51 5.58 < 7 1 3 4 9.59 11.45 1.37 o 7 1 3 5 16.46 16.21 1.00 o 9 1 3 -5 27.98 26.48 0.76 o 9 1 3 -4 40.49 40.28 0.73 o 9 1 3 -3 2.37 2.56 4.37 < 9 1 3 -2 11.59 11.90 1.08 o 9 1 3 -1 6.07 4.11 1.86 < 9 1 3 0 15.59 15.91 0.91 o 9 1 3 1 10.92 11.64 1.17 o 9 1 3 2 4.00 4.23 2.80 < 9 1 3 3 15.95 15.59 1.02 o 9 1 3 4 25.01 23.62 0.79 o 9 1 3 5 5.98 0.75 1.95 < 11 1 3 -5 5.36 6.29 2.04 < 11 1 3 -4 9.64 7.61 1.30 o 11 1 3 -3 11.21 12.30 1.16 o 11 1 3 -2 0.00 2.13 23.82 < 11 1 3 -1 42.21 41.26 0.75 o 11 1 3 0 4.37 3.12 2.64 < 11 1 3 1 23.75 23.30 0.79 o 11 1 3 2 6.24 6.26 1.87 < 11 1 3 3 0.00 0.56 23.77 < 11 1 3 4 3.59 1.15 3.12 < 11 1 3 5 18.50 17.47 0.94 o 13 1 3 -5 12.78 10.94 1.07 o 13 1 3 -4 18.90 17.87 0.87 o 13 1 3 -3 10.29 10.07 1.22 o 13 1 3 -2 4.07 5.59 2.85 < 13 1 3 -1 3.30 0.93 3.45 < 13 1 3 0 12.96 12.08 1.03 o 13 1 3 1 4.80 2.34 2.51 < 13 1 3 2 5.97 6.75 2.12 < 13 1 3 3 8.51 7.80 1.57 < 13 1 3 4 19.61 16.90 0.91 o 15 1 3 -5 5.73 5.22 2.32 < 15 1 3 -4 3.38 3.46 4.01 < 15 1 3 -3 5.01 0.51 2.79 < 15 1 3 -2 15.12 13.90 1.02 o 15 1 3 -1 24.80 23.01 0.82 o 1 2 3 -5 4.20 5.76 3.41 < 1 2 3 -4 32.48 36.86 1.04 o 1 2 3 -3 4.16 4.66 3.34 < 1 2 3 -2 15.27 19.05 1.20 o 1 2 3 -1 8.34 9.04 1.78 < 1 2 3 0 3.96 4.84 3.77 < 1 2 3 1 13.17 12.87 1.34 o 1 2 3 2 3.27 0.23 4.52 < 1 2 3 3 17.68 16.42 1.16 o 3 2 3 -5 10.21 10.15 1.73 < 3 2 3 -4 24.63 26.00 1.05 o 3 2 3 -3 11.39 11.63 1.56 o 3 2 3 -2 17.92 16.97 1.19 o 3 2 3 -1 16.63 15.56 1.41 o 3 2 3 0 15.45 17.72 1.30 o 3 2 3 1 13.49 14.89 1.32 o 3 2 3 2 6.02 1.80 2.49 < 5 2 3 -5 29.36 30.31 0.85 o 5 2 3 -4 24.55 22.55 0.95 o 5 2 3 -3 7.64 8.29 1.90 < 5 2 3 -2 20.08 21.18 1.04 o 5 2 3 -1 8.19 6.99 1.83 < 5 2 3 0 10.97 11.98 1.39 o 5 2 3 1 12.80 12.93 1.46 o 5 2 3 2 0.00 1.39 25.64 < 7 2 3 -5 19.36 19.38 0.94 o 7 2 3 -4 3.52 2.77 3.55 < 7 2 3 -3 8.29 7.94 1.62 < 7 2 3 -2 9.40 9.43 1.52 o 7 2 3 -1 11.56 9.82 1.31 o 7 2 3 0 22.39 21.50 0.96 o 9 2 3 -5 34.68 33.31 0.74 o 9 2 3 -4 2.49 1.01 4.74 < 9 2 3 -3 3.79 1.03 3.23 < 9 2 3 -2 7.60 7.63 1.76 < 9 2 3 -1 16.38 15.19 1.03 o 11 2 3 -5 0.63 1.63 17.71 < 11 2 3 -4 1.52 2.34 7.55 < 0 0 4 0 92.73 100.73 1.26 o 0 0 4 2 10.20 9.72 1.91 < 0 0 4 4 8.82 9.70 2.44 < 2 0 4 0 0.00 1.01 27.20 < 2 0 4 1 2.32 1.39 4.76 < 2 0 4 2 3.58 2.79 2.96 < 2 0 4 3 3.51 1.44 3.12 < 2 0 4 4 23.03 21.98 0.84 o 2 0 4 5 64.44 66.92 0.85 o 4 0 4 0 51.90 50.87 1.36 o 4 0 4 1 28.48 28.66 0.90 o 4 0 4 2 18.03 15.97 0.94 o 4 0 4 3 11.90 10.94 1.00 o 4 0 4 4 2.53 4.04 3.99 < 4 0 4 5 0.00 0.88 23.08 < 6 0 4 0 5.22 4.10 4.24 < 6 0 4 1 4.00 1.70 3.28 < 6 0 4 2 4.60 1.74 2.64 < 6 0 4 3 22.01 20.01 0.91 o 6 0 4 4 49.97 48.52 0.94 o 6 0 4 5 35.35 34.24 0.77 o 8 0 4 0 11.38 9.86 1.68 o 8 0 4 1 33.81 33.20 0.92 o 8 0 4 2 32.86 30.24 0.83 o 8 0 4 3 24.41 22.50 0.93 o 8 0 4 4 3.97 2.66 3.25 < 8 0 4 5 5.59 3.30 2.36 < 10 0 4 0 3.48 0.47 4.94 < 10 0 4 1 7.06 6.84 1.79 < 10 0 4 2 13.89 12.35 1.12 o 10 0 4 3 27.46 23.97 0.85 o 10 0 4 4 18.49 18.37 1.04 o 10 0 4 5 0.00 2.08 25.50 < 12 0 4 0 9.57 10.25 2.15 < 12 0 4 1 9.57 8.75 1.48 o 12 0 4 2 14.94 13.69 1.10 o 12 0 4 3 19.16 16.45 0.98 o 12 0 4 4 12.30 11.11 1.25 o 12 0 4 5 6.16 3.59 2.05 < 14 0 4 0 6.65 4.92 2.91 < 14 0 4 1 12.62 11.48 1.28 o 14 0 4 2 21.10 15.88 0.97 o 14 0 4 3 19.74 16.74 1.03 o 0 1 4 -5 12.21 11.43 2.03 o 0 1 4 -3 17.66 18.17 1.42 o 0 1 4 -1 50.18 53.06 1.08 o 0 1 4 1 24.33 27.20 1.66 o 0 1 4 3 5.21 1.69 3.45 < 0 1 4 5 22.09 22.37 1.75 o 2 1 4 -5 25.59 23.70 0.79 o 2 1 4 -4 32.15 31.67 0.76 o 2 1 4 -3 7.60 7.76 1.63 < 2 1 4 -2 7.37 8.03 1.70 < 2 1 4 -1 3.56 1.69 3.28 < 2 1 4 0 19.18 19.23 0.96 o 2 1 4 1 8.25 8.59 1.63 < 2 1 4 2 8.10 8.78 1.71 < 2 1 4 3 13.43 14.86 1.10 o 2 1 4 4 23.55 26.01 0.86 o 2 1 4 5 3.54 3.44 3.55 < 4 1 4 -5 6.89 6.56 1.65 < 4 1 4 -4 11.71 11.44 1.12 o 4 1 4 -3 0.84 2.46 13.45 < 4 1 4 -2 31.42 31.30 0.80 o 4 1 4 -1 42.99 42.00 0.80 o 4 1 4 0 3.52 2.03 3.48 < 4 1 4 1 33.37 33.86 0.81 o 4 1 4 2 22.33 21.43 0.93 o 4 1 4 3 0.00 0.69 24.65 < 4 1 4 4 8.67 9.93 1.61 < 4 1 4 5 14.88 15.73 1.15 o 6 1 4 -5 20.73 19.79 0.85 o 6 1 4 -4 21.82 20.27 0.85 o 6 1 4 -3 20.47 20.68 0.88 o 6 1 4 -2 0.00 1.15 23.87 < 6 1 4 -1 9.44 8.25 1.42 o 6 1 4 0 3.29 2.86 3.71 < 6 1 4 1 14.27 15.94 1.13 o 6 1 4 2 9.21 10.27 1.50 o 6 1 4 3 20.20 20.57 0.96 o 6 1 4 4 17.84 16.57 1.03 o 6 1 4 5 2.93 1.76 4.40 < 8 1 4 -5 0.00 0.97 25.15 < 8 1 4 -4 2.43 2.58 5.50 < 8 1 4 -3 24.81 23.16 1.01 o 8 1 4 -2 28.54 28.50 0.88 o 8 1 4 -1 3.61 5.42 3.55 < 8 1 4 0 6.52 4.26 2.06 < 8 1 4 1 15.99 15.56 1.20 o 8 1 4 2 20.34 20.87 0.96 o 8 1 4 3 3.51 2.28 3.69 < 8 1 4 4 9.99 10.66 1.49 o 8 1 4 5 1.76 1.78 7.53 < 10 1 4 -5 10.35 9.72 1.49 o 10 1 4 -4 16.88 14.76 1.14 o 10 1 4 -3 28.15 26.52 0.98 o 10 1 4 -2 12.69 11.01 1.36 o 10 1 4 -1 6.80 5.41 2.27 < 10 1 4 0 0.00 1.42 27.66 < 10 1 4 1 1.73 2.36 7.36 < 10 1 4 2 21.84 21.23 1.01 o 10 1 4 3 15.00 14.33 1.21 o 10 1 4 4 8.99 8.31 1.69 < 12 1 4 -5 0.00 0.92 26.12 < 12 1 4 -4 12.86 10.39 1.38 o 12 1 4 -3 28.06 25.75 0.96 o 12 1 4 -2 11.76 11.96 1.43 o 12 1 4 -1 0.63 1.13 22.14 < 12 1 4 0 1.92 1.46 7.72 < 0 2 4 -4 5.81 3.54 3.24 < 0 2 4 -2 12.25 14.12 1.90 o 2 2 4 -5 29.60 32.19 0.86 o 2 2 4 -4 3.94 2.73 3.19 < 2 2 4 -3 3.27 3.39 3.91 < 2 2 4 -2 8.01 8.72 1.95 < 2 2 4 -1 15.20 16.60 1.10 o 4 2 4 -5 13.56 13.79 1.13 o 4 2 4 -4 2.53 0.47 5.06 < 4 2 4 -3 7.46 7.15 1.82 < 4 2 4 -2 8.88 8.81 1.54 < 6 2 4 -5 14.76 16.14 1.12 o 6 2 4 -4 16.28 14.67 1.06 o 6 2 4 -3 5.81 5.71 2.35 < 8 2 4 -5 6.39 6.93 2.15 < 1 0 5 0 8.35 7.30 2.61 < 1 0 5 1 8.73 7.00 1.73 < 1 0 5 2 18.73 15.65 0.88 o 1 0 5 3 25.68 23.44 0.90 o 1 0 5 4 16.07 15.35 1.08 o 1 0 5 5 3.32 0.24 4.16 < 3 0 5 0 8.62 6.17 2.66 < 3 0 5 1 24.86 22.27 1.02 o 3 0 5 2 29.50 25.91 1.01 o 3 0 5 3 24.95 22.38 1.07 o 3 0 5 4 2.35 1.31 5.95 < 3 0 5 5 6.44 7.48 1.93 < 5 0 5 0 0.00 5.35 31.18 < 5 0 5 1 5.60 4.18 2.70 < 5 0 5 2 6.40 3.32 2.43 < 5 0 5 3 22.13 17.14 1.18 o 5 0 5 4 30.78 27.33 1.07 o 5 0 5 5 23.39 19.53 1.03 o 7 0 5 0 27.18 24.57 1.62 o 7 0 5 1 16.66 13.56 1.38 o 7 0 5 2 15.24 12.57 1.44 o 7 0 5 3 5.30 4.54 3.09 < 7 0 5 4 2.21 6.49 7.63 < 7 0 5 5 2.39 1.05 6.24 < 9 0 5 0 4.47 0.21 5.42 < 9 0 5 1 3.55 4.43 4.55 < 9 0 5 2 6.08 3.19 2.91 < 9 0 5 3 7.57 1.78 2.40 < 9 0 5 4 12.85 10.15 1.60 o 9 0 5 5 29.69 25.66 1.15 o 1 1 5 -5 5.18 4.64 2.68 < 1 1 5 -4 18.01 15.55 1.11 o 1 1 5 -3 30.99 29.90 0.93 o 1 1 5 -2 12.34 11.97 1.46 o 1 1 5 -1 3.70 2.73 4.03 < 1 1 5 0 4.77 0.78 3.25 < 1 1 5 1 1.61 0.39 9.09 < 1 1 5 2 22.51 21.52 1.13 o 1 1 5 3 11.92 11.53 1.53 o 1 1 5 4 10.51 8.70 1.74 o 3 1 5 -5 5.97 1.47 2.06 < 3 1 5 -4 3.29 0.03 3.80 < 3 1 5 -3 22.45 20.12 0.89 o 3 1 5 -2 20.38 19.40 0.94 o 3 1 5 -1 6.14 5.26 2.18 < 3 1 5 0 2.77 0.16 4.90 < 3 1 5 1 15.89 14.80 1.13 o 3 1 5 2 19.74 18.41 1.01 o 3 1 5 3 3.13 0.81 4.41 < 5 1 5 -5 11.56 11.37 1.48 o 5 1 5 -4 16.88 16.25 1.11 o 5 1 5 -3 14.43 14.55 1.18 o 5 1 5 -2 6.11 3.93 2.29 < 5 1 5 -1 1.73 2.00 8.08 < 5 1 5 0 0.00 0.39 25.74 < 5 1 5 1 10.38 9.79 1.45 o 5 1 5 2 9.63 7.88 1.59 o 7 1 5 -5 3.69 0.64 4.19 < 7 1 5 -4 0.55 5.41 28.02 < 7 1 5 -3 5.40 3.93 3.08 < 7 1 5 -2 18.64 15.93 1.21 o 7 1 5 -1 20.95 19.09 1.04 o 7 1 5 0 0.00 1.32 25.15 < 9 1 5 -5 11.39 9.62 1.58 o 9 1 5 -4 20.73 16.85 1.17 o #======================================================================= data_modular_2n_4 #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ? _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Pb S' _chemical_formula_weight 239.2 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration . #======================================================================= # 6. CRYSTAL DATA _space_group_crystal_system orthorhombic _space_group_ssg_name 'Bmmm(0\b0)s00' loop_ _space_group_symop_ssg_id _space_group_symop_ssg_operation_algebraic 1 x1,x2,x3,x4 2 -x1,-x2,x3,-x4 3 -x1,x2,-x3,x4+1/2 4 x1,-x2,-x3,-x4+1/2 5 -x1,-x2,-x3,-x4 6 x1,x2,-x3,x4 7 x1,-x2,x3,-x4+1/2 8 -x1,x2,x3,x4+1/2 9 x1+1/2,x2,x3+1/2,x4 10 -x1+1/2,-x2,x3+1/2,-x4 11 -x1+1/2,x2,-x3+1/2,x4+1/2 12 x1+1/2,-x2,-x3+1/2,-x4+1/2 13 -x1+1/2,-x2,-x3+1/2,-x4 14 x1+1/2,x2,-x3+1/2,x4 15 x1+1/2,-x2,x3+1/2,-x4+1/2 16 -x1+1/2,x2,x3+1/2,x4+1/2 _cell_length_a 13.535 _cell_length_b 1.7042 _cell_length_c 4.104 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 94.66429 _cell_modulation_dimension 1 loop_ _cell_wave_vector_seq_id _cell_wave_vector_x _cell_wave_vector_y _cell_wave_vector_z 1 0.00000 0.08333 0.00000 _cell_subsystems_number 3 loop_ _cell_subsystem_code _cell_subsystem_description _cell_subsystem_matrix_W_1_1 _cell_subsystem_matrix_W_1_2 _cell_subsystem_matrix_W_1_3 _cell_subsystem_matrix_W_1_4 _cell_subsystem_matrix_W_2_1 _cell_subsystem_matrix_W_2_2 _cell_subsystem_matrix_W_2_3 _cell_subsystem_matrix_W_2_4 _cell_subsystem_matrix_W_3_1 _cell_subsystem_matrix_W_3_2 _cell_subsystem_matrix_W_3_3 _cell_subsystem_matrix_W_3_4 _cell_subsystem_matrix_W_4_1 _cell_subsystem_matrix_W_4_2 _cell_subsystem_matrix_W_4_3 _cell_subsystem_matrix_W_4_4 1 '1st subsystem' 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 1 2 '2nd subsystem' 3 -1 0 10 1 0 0 3 0 0 1 0 0 0 0 1 3 '3rd subsystem' 3 1 0 -10 1 0 0 -3 0 0 1 0 0 0 0 -1 _jana_cell_commen_supercell_matrix_1_1 1 _jana_cell_commen_supercell_matrix_1_2 0 _jana_cell_commen_supercell_matrix_1_3 0 _jana_cell_commen_supercell_matrix_2_1 0 _jana_cell_commen_supercell_matrix_2_2 12 _jana_cell_commen_supercell_matrix_2_3 0 _jana_cell_commen_supercell_matrix_3_1 0 _jana_cell_commen_supercell_matrix_3_2 0 _jana_cell_commen_supercell_matrix_3_3 1 _jana_cell_commen_t_section_1 0.125 _cell_formula_units_Z 16 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature ? _cell_special_details ? _exptl_crystal_density_diffrn 67.1483 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 157 _exptl_absorpt_coefficient_mu 717.179 _exptl_crystal_type_of_structure comp _exptl_crystal_description ? _exptl_crystal_size_max ? _exptl_crystal_size_mid ? _exptl_crystal_size_min ? _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type none _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 1.000 _exptl_absorpt_correction_T_max 1.000 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_source 'X-ray tube' _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number ? _diffrn_reflns_theta_min ? _diffrn_reflns_theta_max ? _diffrn_reflns_theta_full ? _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full ? _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_unetI/netI ? _diffrn_reflns_limit_h_min ? _diffrn_reflns_limit_h_max ? _diffrn_reflns_limit_k_min ? _diffrn_reflns_limit_k_max ? _diffrn_reflns_limit_l_min ? _diffrn_reflns_limit_l_max ? _diffrn_reflns_limit_index_m_1_min ? _diffrn_reflns_limit_index_m_1_max ? _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ? _reflns_number_total 1004 _reflns_number_gt 617 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt ? _refine_ls_wR_factor_gt ? _refine_ls_R_factor_all ? _refine_ls_wR_factor_ref ? _refine_ls_goodness_of_fit_ref 1.71 _refine_ls_goodness_of_fit_gt 2.12 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 1004 _refine_ls_number_parameters 26 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(F)+0.0001F^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0000 _refine_ls_shift/su_mean 0.0000 _refine_diff_density_max ? _refine_diff_density_min ? _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 239(5) loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source Pb -3.394 10.111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' S 0.125 0.123 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.1' _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' _computing_molecular_graphics ? _computing_publication_material 'Jana2006 (Petricek, Dusek & Palatinus, 2006)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_subsystem_code _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags_posn _atom_site_disorder_assembly _atom_site_disorder_group Pb0 Pb 1 0.32669(14) 0.5 0 Uani 0.0575(7) 4 0.0833 d . . . S0 S 1 0.6835(7) 0.5 0 Uani 0.035(3) 4 0.0833 d . . . Pb Pb 2 0 0 0 Uani 0.0345(2) 4 0.3333 d . . . S S 2 0 0.5 0 Uani 0.0415(13) 4 0.4167 d . . . loop_ _atom_site_aniso_label _atom_site_aniso_type_symbol _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb0 Pb 0.0472(10) 0.0805(15) 0.0448(11) 0 0 0 S0 S 0.032(5) 0.033(5) 0.041(5) 0 0 0 Pb Pb 0.0344(4) 0.0337(4) 0.0354(4) 0.0029(3) 0 0 S S 0.036(2) 0.043(3) 0.045(2) 0.0066(19) 0 0 loop_ _atom_site_Fourier_wave_vector_seq_id _atom_site_Fourier_wave_vector_x _atom_site_Fourier_wave_vector_y _atom_site_Fourier_wave_vector_z 1 0.00000 0.08333 0.00000 2 0.00000 0.16667 0.00000 loop_ _atom_site_occ_special_func_atom_site_label _atom_site_occ_special_func_crenel_c _atom_site_occ_special_func_crenel_w Pb0 0.25 0.0833 S0 0.25 0.0833 Pb 0 0.3333 S 0 0.4167 loop_ _atom_site_displace_Fourier_id _atom_site_displace_Fourier_atom_site_label _atom_site_displace_Fourier_axis _atom_site_displace_Fourier_wave_vector_seq_id Pbx1 Pb x 1 Pby1 Pb y 1 Pbz1 Pb z 1 Pbx2 Pb x 2 Pby2 Pb y 2 Pbz2 Pb z 2 Sx1 S x 1 Sy1 S y 1 Sz1 S z 1 Sx2 S x 2 Sy2 S y 2 Sz2 S z 2 loop_ _atom_site_displace_Fourier_param_id _atom_site_displace_Fourier_param_cos _atom_site_displace_Fourier_param_sin Pbx1 0 0.096(2) Pby1 0 -0.1156(15) Pbz1 0 0 Pbx2 0 -0.0686(15) Pby2 0 0.0799(11) Pbz2 0 0 Sx1 0 0.047(5) Sy1 0 -0.152(4) Sz1 0 0 Sx2 0 -0.010(4) Sy2 0 0.118(3) Sz2 0 0 #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_m_1 _refln_F_meas _refln_F_calc _refln_F_sigma _refln_include_status 0 0 0 6 14.57 12.73 0.46 o 2 0 0 2 5.48 4.41 0.30 o 2 0 0 3 4.04 3.27 0.31 o 2 0 0 4 23.55 21.02 0.31 o 2 0 0 5 56.05 52.78 0.59 o 2 0 0 6 28.62 26.17 0.36 o 4 0 0 0 39.78 41.36 0.47 o 4 0 0 1 26.78 26.11 0.31 o 4 0 0 2 14.26 12.98 0.22 o 4 0 0 3 8.56 7.99 0.21 o 4 0 0 4 3.79 2.30 0.33 o 4 0 0 5 3.79 3.30 0.31 o 4 0 0 6 7.78 6.76 0.24 o 6 0 0 0 2.28 1.82 0.75 < 6 0 0 1 2.37 2.38 0.53 < 6 0 0 2 0.63 0.50 1.58 < 6 0 0 3 19.00 18.18 0.27 o 6 0 0 4 40.71 42.93 0.45 o 6 0 0 5 29.71 29.48 0.36 o 6 0 0 6 18.31 17.92 0.26 o 8 0 0 0 7.89 7.26 0.42 o 8 0 0 1 27.78 29.03 0.35 o 8 0 0 2 26.61 27.02 0.34 o 8 0 0 3 18.36 18.11 0.27 o 8 0 0 4 1.34 1.03 0.89 < 8 0 0 5 2.47 2.15 0.57 < 8 0 0 6 0.00 0.13 7.91 < 10 0 0 0 2.57 0.60 0.82 < 10 0 0 1 3.90 4.33 0.43 o 10 0 0 2 9.92 9.54 0.30 o 10 0 0 3 19.60 19.81 0.31 o 10 0 0 4 13.42 14.03 0.29 o 10 0 0 5 2.61 2.81 0.56 < 10 0 0 6 7.86 7.79 0.30 o 12 0 0 0 8.53 8.78 0.44 o 12 0 0 1 6.02 6.35 0.36 o 12 0 0 2 11.44 10.99 0.29 o 12 0 0 3 12.74 12.69 0.29 o 12 0 0 4 7.44 7.55 0.38 o 12 0 0 5 2.47 2.37 0.77 < 12 0 0 6 0.00 0.56 9.08 < 14 0 0 0 3.21 2.85 0.92 < 14 0 0 1 8.68 8.57 0.38 o 14 0 0 2 12.77 12.73 0.35 o 14 0 0 3 12.71 13.07 0.35 o 14 0 0 4 2.17 1.43 0.83 < 14 0 0 5 6.40 6.38 0.44 o 14 0 0 6 1.22 1.12 1.47 < 16 0 0 0 2.76 3.25 0.91 < 16 0 0 1 2.05 2.33 0.88 < 16 0 0 2 2.32 2.54 0.82 < 16 0 0 3 7.96 7.44 0.42 o 16 0 0 4 8.65 8.85 0.38 o 16 0 0 5 7.92 7.45 0.42 o 16 0 0 6 3.75 3.61 0.60 o 18 0 0 0 7.86 7.38 0.59 o 18 0 0 1 3.44 3.19 0.61 < 18 0 0 2 4.91 4.83 0.50 o 18 0 0 3 1.48 1.67 1.25 < 18 0 0 4 3.10 3.12 0.69 < 18 0 0 5 0.00 1.21 9.87 < 18 0 0 6 1.73 0.25 1.18 < 0 1 0 -4 21.91 18.95 0.48 o 0 1 0 -2 48.15 44.57 0.63 o 0 1 0 0 21.74 19.95 0.49 o 0 1 0 2 1.48 2.73 2.36 < 0 1 0 4 18.85 18.14 0.49 o 0 1 0 6 3.07 2.93 1.19 < 2 1 0 -5 28.98 27.46 0.36 o 2 1 0 -4 6.76 5.60 0.38 o 2 1 0 -3 6.35 5.70 0.40 o 2 1 0 -2 2.17 1.80 0.97 < 2 1 0 -1 18.57 17.67 0.34 o 2 1 0 0 7.94 7.59 0.36 o 2 1 0 1 9.68 8.18 0.34 o 2 1 0 2 13.45 13.10 0.31 o 2 1 0 3 21.64 21.32 0.33 o 2 1 0 4 3.13 2.60 0.82 < 2 1 0 5 25.31 24.69 0.39 o 2 1 0 6 0.84 1.26 2.87 < 4 1 0 -5 13.15 11.96 0.23 o 4 1 0 -4 2.17 1.86 0.62 < 4 1 0 -3 28.96 27.76 0.36 o 4 1 0 -2 34.91 35.76 0.41 o 4 1 0 -1 1.38 2.21 1.23 < 4 1 0 0 27.47 27.84 0.38 o 4 1 0 1 17.40 17.05 0.31 o 4 1 0 2 0.00 0.34 9.62 < 4 1 0 3 8.51 8.60 0.33 o 4 1 0 4 12.62 12.81 0.30 o 4 1 0 5 11.49 11.50 0.30 o 4 1 0 6 1.45 0.44 1.24 < 6 1 0 -5 17.05 16.59 0.24 o 6 1 0 -4 15.53 15.51 0.24 o 6 1 0 -3 2.17 1.45 0.58 < 6 1 0 -2 9.01 8.27 0.30 o 6 1 0 -1 2.35 1.63 0.58 < 6 1 0 0 14.24 13.87 0.25 o 6 1 0 1 8.91 8.44 0.27 o 6 1 0 2 16.75 16.61 0.26 o 6 1 0 3 12.82 12.75 0.27 o 6 1 0 4 0.00 0.70 8.37 < 6 1 0 5 11.05 12.15 0.28 o 6 1 0 6 10.73 10.72 0.27 o 8 1 0 -5 2.65 2.88 0.57 < 8 1 0 -4 18.89 19.33 0.27 o 8 1 0 -3 22.34 23.20 0.28 o 8 1 0 -2 3.44 2.74 0.38 o 8 1 0 -1 4.43 4.17 0.33 o 8 1 0 0 13.04 12.82 0.24 o 8 1 0 1 15.00 15.26 0.28 o 8 1 0 2 0.00 1.09 8.51 < 8 1 0 3 8.80 8.39 0.31 o 8 1 0 4 1.58 1.76 0.92 < 8 1 0 5 5.20 5.11 0.38 o 8 1 0 6 9.96 9.92 0.30 o 10 1 0 -5 12.65 12.85 0.27 o 10 1 0 -4 19.91 20.91 0.30 o 10 1 0 -3 8.59 8.03 0.28 o 10 1 0 -2 5.06 4.36 0.37 o 10 1 0 -1 1.82 1.49 0.72 < 10 1 0 0 1.61 2.05 0.87 < 10 1 0 1 15.74 16.67 0.27 o 10 1 0 2 11.67 11.15 0.27 o 10 1 0 3 6.43 5.99 0.33 o 10 1 0 4 6.14 6.00 0.33 o 10 1 0 5 0.71 1.76 1.98 < 10 1 0 6 11.21 10.90 0.27 o 12 1 0 -5 8.54 8.46 0.32 o 12 1 0 -4 19.48 20.41 0.31 o 12 1 0 -3 9.07 9.08 0.27 o 12 1 0 -2 1.05 0.78 1.19 < 12 1 0 -1 1.58 1.07 0.79 < 12 1 0 0 0.95 0.74 1.37 < 12 1 0 1 11.52 12.00 0.26 o 12 1 0 2 5.33 5.42 0.34 o 12 1 0 3 6.56 6.13 0.32 o 12 1 0 4 5.65 5.51 0.34 o 12 1 0 5 1.18 1.12 1.18 < 12 1 0 6 10.08 9.64 0.28 o 14 1 0 -5 1.61 1.50 1.12 < 14 1 0 -4 9.72 9.56 0.38 o 14 1 0 -3 7.14 7.47 0.33 o 14 1 0 -2 3.90 3.36 0.40 o 14 1 0 -1 1.05 1.36 1.19 < 14 1 0 0 8.00 7.77 0.30 o 14 1 0 1 9.81 9.56 0.27 o 14 1 0 2 0.00 0.40 8.06 < 14 1 0 3 2.02 1.43 0.72 < 14 1 0 4 0.77 0.16 1.94 < 14 1 0 5 1.92 1.76 0.78 < 14 1 0 6 5.12 5.06 0.37 o 16 1 0 -5 7.33 6.77 0.44 o 16 1 0 -4 5.98 6.07 0.47 o 16 1 0 -3 2.10 2.23 0.69 < 16 1 0 -2 0.95 0.85 1.53 < 16 1 0 -1 0.00 0.45 8.51 < 16 1 0 0 2.68 3.49 0.62 < 16 1 0 1 3.35 3.27 0.51 o 16 1 0 2 3.92 4.18 0.42 o 16 1 0 3 3.79 3.56 0.48 o 16 1 0 4 1.70 1.67 0.91 < 18 1 0 -5 1.00 1.24 2.10 < 18 1 0 -4 2.28 1.78 0.77 < 18 1 0 -3 4.49 4.37 0.41 o 18 1 0 -2 5.41 5.27 0.38 o 0 2 0 -4 11.10 11.54 0.55 o 0 2 0 -2 16.47 16.27 0.68 o 0 2 0 0 7.96 8.41 0.95 o 0 2 0 2 10.35 9.80 0.82 o 0 2 0 4 4.62 3.65 1.15 < 2 2 0 -5 2.59 2.70 1.08 < 2 2 0 -4 6.20 7.10 0.58 o 2 2 0 -3 13.27 12.64 0.51 o 2 2 0 -2 3.33 2.94 1.16 < 2 2 0 -1 2.76 1.44 1.27 < 2 2 0 0 2.28 1.11 1.49 < 2 2 0 1 1.05 2.16 3.15 < 2 2 0 2 2.57 0.88 1.38 < 2 2 0 3 9.95 8.55 0.57 o 2 2 0 4 0.00 0.12 12.94 < 2 2 0 5 5.30 4.85 0.76 o 4 2 0 -5 6.11 5.81 0.41 o 4 2 0 -4 6.66 6.41 0.40 o 4 2 0 -3 6.50 5.86 0.53 o 4 2 0 -2 12.09 11.43 0.48 o 4 2 0 -1 6.47 4.84 0.67 o 4 2 0 0 4.01 4.05 0.89 < 4 2 0 1 5.67 6.01 0.75 o 4 2 0 2 6.35 4.96 0.70 o 4 2 0 3 2.02 1.36 1.78 < 4 2 0 4 4.15 3.37 0.95 < 6 2 0 -5 4.71 4.61 0.37 o 6 2 0 -4 11.08 10.84 0.31 o 6 2 0 -3 3.89 3.89 0.52 o 6 2 0 -2 6.07 6.01 0.45 o 6 2 0 -1 5.64 5.43 0.41 o 6 2 0 0 2.85 1.58 0.84 < 6 2 0 1 3.69 4.06 0.73 < 6 2 0 2 5.36 4.91 0.54 o 6 2 0 3 4.48 4.57 0.64 o 6 2 0 4 0.63 0.24 4.03 < 8 2 0 -5 5.33 5.67 0.37 o 8 2 0 -4 7.74 7.39 0.31 o 8 2 0 -3 5.87 5.65 0.35 o 8 2 0 -2 6.57 6.84 0.36 o 8 2 0 -1 4.58 5.10 0.44 o 8 2 0 0 0.63 0.36 2.61 < 8 2 0 1 9.10 8.59 0.34 o 8 2 0 2 1.84 0.54 1.08 < 10 2 0 -5 1.95 1.16 0.74 < 10 2 0 -4 7.52 7.42 0.33 o 10 2 0 -3 2.74 3.17 0.62 < 10 2 0 -2 2.19 1.50 0.73 < 10 2 0 -1 4.35 4.04 0.44 o 10 2 0 0 1.61 0.38 0.99 < 10 2 0 1 5.83 5.14 0.38 o 12 2 0 -5 2.45 2.08 0.61 < 12 2 0 -4 3.61 3.87 0.46 o 12 2 0 -3 0.63 1.50 2.61 < 12 2 0 -2 2.57 1.49 0.70 < 12 2 0 -1 3.69 3.21 0.64 < 14 2 0 -5 1.48 1.70 0.98 < 14 2 0 -4 3.79 3.42 0.55 o 1 0 1 0 12.65 11.72 0.20 o 1 0 1 1 7.91 7.20 0.16 o 1 0 1 2 24.44 22.59 0.30 o 1 0 1 3 34.68 32.84 0.39 o 1 0 1 4 20.13 18.10 0.28 o 1 0 1 5 4.32 3.24 0.33 o 1 0 1 6 5.02 4.30 0.32 o 3 0 1 0 5.68 4.97 0.28 o 3 0 1 1 32.95 32.79 0.35 o 3 0 1 2 39.54 39.66 0.42 o 3 0 1 3 32.75 31.89 0.36 o 3 0 1 4 1.14 0.82 0.79 < 3 0 1 5 12.34 11.01 0.20 o 3 0 1 6 5.37 4.78 0.22 o 5 0 1 0 5.27 5.06 0.27 o 5 0 1 1 8.34 8.17 0.18 o 5 0 1 2 3.10 2.75 0.29 o 5 0 1 3 26.15 25.77 0.29 o 5 0 1 4 36.47 38.31 0.39 o 5 0 1 5 25.08 25.06 0.28 o 5 0 1 6 16.91 16.22 0.22 o 7 0 1 0 27.41 29.54 0.35 o 7 0 1 1 17.93 18.41 0.23 o 7 0 1 2 16.36 16.26 0.23 o 7 0 1 3 3.07 3.16 0.34 o 7 0 1 4 8.50 8.69 0.22 o 7 0 1 5 1.92 1.09 0.47 < 7 0 1 6 1.34 0.71 0.67 < 9 0 1 0 0.95 1.27 1.53 < 9 0 1 1 4.52 4.93 0.29 o 9 0 1 2 5.54 5.75 0.25 o 9 0 1 3 1.45 1.25 0.69 < 9 0 1 4 13.69 13.84 0.22 o 9 0 1 5 28.68 30.87 0.33 o 9 0 1 6 14.99 14.53 0.23 o 11 0 1 0 34.86 39.07 0.43 o 11 0 1 1 4.00 3.83 0.33 o 11 0 1 2 4.84 4.67 0.29 o 11 0 1 3 3.18 3.22 0.38 o 11 0 1 4 4.00 4.52 0.32 o 11 0 1 5 2.70 2.70 0.41 o 11 0 1 6 3.08 3.45 0.36 o 13 0 1 0 1.87 2.56 0.80 < 13 0 1 1 1.18 0.72 0.89 < 13 0 1 2 1.64 2.09 0.64 < 13 0 1 3 0.77 0.31 1.36 < 13 0 1 4 5.18 5.15 0.30 o 13 0 1 5 20.56 21.36 0.28 o 13 0 1 6 6.17 5.73 0.25 o 15 0 1 0 13.26 13.54 0.31 o 15 0 1 1 5.84 6.28 0.29 o 15 0 1 2 2.35 2.65 0.51 < 15 0 1 3 5.05 5.25 0.30 o 15 0 1 4 1.14 0.28 1.01 < 15 0 1 5 0.55 0.72 2.19 < 15 0 1 6 2.93 2.72 0.43 o 17 0 1 0 0.00 1.00 10.00 < 17 0 1 1 0.45 0.83 2.91 < 17 0 1 2 0.89 0.93 1.45 < 17 0 1 3 2.59 2.28 0.54 < 17 0 1 4 10.03 9.71 0.27 o 17 0 1 5 8.91 7.93 0.29 o 17 0 1 6 3.99 3.64 0.38 o 19 0 1 0 3.16 2.35 0.73 < 19 0 1 1 5.87 5.60 0.35 o 1 1 1 -5 26.53 24.64 0.32 o 1 1 1 -4 41.75 40.83 0.46 o 1 1 1 -3 15.14 15.06 0.27 o 1 1 1 -2 3.74 3.42 0.46 o 1 1 1 -1 2.28 1.76 0.68 < 1 1 1 0 0.00 0.15 8.66 < 1 1 1 1 28.12 28.17 0.36 o 1 1 1 2 14.94 14.07 0.31 o 1 1 1 3 8.76 9.89 0.35 o 1 1 1 4 11.51 11.12 0.37 o 1 1 1 5 2.76 3.04 0.73 < 1 1 1 6 18.84 18.60 0.34 o 3 1 1 -5 2.12 0.50 0.52 < 3 1 1 -4 27.88 28.16 0.32 o 3 1 1 -3 24.97 24.71 0.30 o 3 1 1 -2 3.74 3.53 0.36 o 3 1 1 -1 1.45 0.61 0.86 < 3 1 1 0 20.44 20.30 0.27 o 3 1 1 1 21.53 21.37 0.28 o 3 1 1 2 1.00 1.22 1.40 < 3 1 1 3 6.82 7.10 0.29 o 3 1 1 4 2.26 2.08 0.66 < 3 1 1 5 5.54 4.87 0.40 o 3 1 1 6 13.26 13.21 0.29 o 5 1 1 -5 21.50 21.04 0.26 o 5 1 1 -4 16.83 16.53 0.22 o 5 1 1 -3 7.46 7.01 0.21 o 5 1 1 -2 3.65 3.83 0.33 o 5 1 1 -1 2.43 2.19 0.43 < 5 1 1 0 13.02 13.21 0.21 o 5 1 1 1 10.71 10.33 0.22 o 5 1 1 2 15.13 15.20 0.23 o 5 1 1 3 10.63 10.78 0.23 o 5 1 1 4 2.55 1.93 0.49 < 5 1 1 5 14.31 15.22 0.23 o 5 1 1 6 11.41 11.03 0.23 o 7 1 1 -5 8.99 8.47 0.19 o 7 1 1 -4 5.80 5.56 0.22 o 7 1 1 -3 20.67 21.22 0.25 o 7 1 1 -2 22.56 23.31 0.26 o 7 1 1 -1 2.47 2.36 0.41 o 7 1 1 0 22.80 24.44 0.27 o 7 1 1 1 12.98 13.62 0.20 o 7 1 1 2 1.64 1.81 0.61 < 7 1 1 3 5.64 6.03 0.24 o 7 1 1 4 7.68 8.05 0.23 o 7 1 1 5 9.98 9.95 0.21 o 7 1 1 6 2.32 1.29 0.45 < 9 1 1 -5 19.55 20.56 0.25 o 9 1 1 -4 0.71 0.81 1.20 < 9 1 1 -3 5.87 5.81 0.22 o 9 1 1 -2 2.57 2.39 0.37 o 9 1 1 -1 8.46 8.22 0.20 o 9 1 1 0 6.21 6.04 0.21 o 9 1 1 1 2.14 2.15 0.44 < 9 1 1 2 8.61 8.10 0.20 o 9 1 1 3 11.05 11.70 0.20 o 9 1 1 4 1.26 0.24 0.79 < 9 1 1 5 16.59 16.20 0.23 o 9 1 1 6 0.71 0.48 1.70 < 11 1 1 -5 4.31 4.12 0.30 o 11 1 1 -4 6.04 6.54 0.26 o 11 1 1 -3 1.61 1.20 0.56 < 11 1 1 -2 19.94 20.58 0.25 o 11 1 1 -1 2.39 1.67 0.40 < 11 1 1 0 10.80 10.90 0.19 o 11 1 1 1 3.05 3.31 0.33 o 11 1 1 2 1.00 0.26 1.00 < 11 1 1 3 1.61 0.67 0.68 < 11 1 1 4 8.81 8.56 0.24 o 11 1 1 5 1.41 0.83 0.78 < 11 1 1 6 0.89 1.14 1.29 < 13 1 1 -5 9.10 8.49 0.23 o 13 1 1 -4 5.04 4.89 0.28 o 13 1 1 -3 1.92 2.53 0.49 < 13 1 1 -2 0.45 0.52 2.01 < 13 1 1 -1 6.04 6.10 0.24 o 13 1 1 0 1.61 1.08 0.59 < 13 1 1 1 3.13 3.49 0.37 o 13 1 1 2 3.59 3.86 0.35 o 13 1 1 3 8.75 8.24 0.24 o 13 1 1 4 2.45 2.01 0.47 < 13 1 1 5 10.67 10.33 0.22 o 13 1 1 6 1.90 1.51 0.63 < 15 1 1 -5 1.90 1.85 0.66 < 15 1 1 -4 1.14 0.37 1.05 < 15 1 1 -3 6.54 6.74 0.24 o 15 1 1 -2 11.47 11.33 0.21 o 15 1 1 -1 1.67 0.84 0.63 < 15 1 1 0 8.25 7.82 0.23 o 15 1 1 1 5.93 5.99 0.26 o 15 1 1 2 0.89 0.27 1.12 < 15 1 1 3 2.37 2.20 0.49 < 15 1 1 4 4.63 4.31 0.30 o 15 1 1 5 2.39 2.65 0.50 < 17 1 1 -5 3.71 3.18 0.41 o 17 1 1 -4 4.89 4.79 0.35 o 17 1 1 -3 1.61 1.06 0.74 < 17 1 1 -2 2.00 1.73 0.58 < 17 1 1 -1 1.41 1.49 0.78 < 17 1 1 0 2.49 2.85 0.46 < 17 1 1 1 1.79 1.73 0.67 < 1 2 1 -5 2.45 1.99 0.82 < 1 2 1 -4 9.10 9.18 0.35 o 1 2 1 -3 4.40 4.54 0.50 o 1 2 1 -2 3.10 2.42 0.65 < 1 2 1 -1 6.66 6.16 0.38 o 1 2 1 0 1.52 0.10 1.19 < 1 2 1 1 9.19 7.85 0.38 o 1 2 1 2 5.54 4.32 0.53 o 1 2 1 3 0.00 2.39 10.84 < 1 2 1 4 4.09 3.34 0.74 < 1 2 1 5 2.30 0.23 1.06 < 3 2 1 -5 5.11 5.81 0.43 o 3 2 1 -4 8.05 8.27 0.35 o 3 2 1 -3 8.58 7.57 0.34 o 3 2 1 -2 9.10 8.95 0.33 o 3 2 1 -1 7.26 7.25 0.35 o 3 2 1 0 0.00 0.73 10.00 < 3 2 1 1 9.48 9.97 0.36 o 3 2 1 2 2.19 1.26 1.12 < 3 2 1 3 2.21 1.08 1.08 < 3 2 1 4 2.76 3.33 0.82 < 5 2 1 -5 4.24 4.19 0.33 o 5 2 1 -4 10.61 10.56 0.25 o 5 2 1 -3 3.02 3.32 0.50 o 5 2 1 -2 5.58 5.91 0.34 o 5 2 1 -1 6.32 6.49 0.35 o 5 2 1 0 0.00 0.79 8.94 < 5 2 1 1 3.02 3.64 0.61 < 5 2 1 2 5.77 4.83 0.40 o 5 2 1 3 4.45 4.66 0.55 o 5 2 1 4 0.00 0.29 10.95 < 7 2 1 -5 4.14 4.01 0.29 o 7 2 1 -4 4.14 4.46 0.33 o 7 2 1 -3 5.05 4.73 0.30 o 7 2 1 -2 10.42 10.32 0.24 o 7 2 1 -1 3.89 3.17 0.38 o 7 2 1 0 2.14 2.92 0.68 < 7 2 1 1 4.24 4.25 0.41 o 7 2 1 2 4.69 4.18 0.43 o 7 2 1 3 0.89 1.18 2.01 < 9 2 1 -5 0.00 0.43 7.42 < 9 2 1 -4 4.18 3.85 0.35 o 9 2 1 -3 7.06 7.31 0.26 o 9 2 1 -2 2.88 2.51 0.43 o 9 2 1 -1 2.00 1.15 0.65 < 9 2 1 0 1.79 0.42 0.70 < 9 2 1 1 1.38 1.12 0.91 < 11 2 1 -5 0.63 0.76 1.82 < 11 2 1 -4 5.02 5.31 0.32 o 11 2 1 -3 2.45 0.82 0.51 < 11 2 1 -2 9.18 8.68 0.26 o 11 2 1 -1 0.32 0.14 3.64 < 13 2 1 -5 1.87 1.53 0.61 < 13 2 1 -4 2.24 2.75 0.54 < 13 2 1 -3 5.50 5.43 0.31 o 0 0 2 2 6.10 5.28 0.33 o 0 0 2 4 5.62 5.54 0.54 o 0 0 2 6 9.67 8.86 0.35 o 2 0 2 0 1.45 0.06 0.69 < 2 0 2 1 0.00 0.30 6.12 < 2 0 2 2 2.93 2.73 0.29 o 2 0 2 3 2.43 2.06 0.45 < 2 0 2 4 16.05 15.39 0.24 o 2 0 2 5 40.86 43.84 0.44 o 2 0 2 6 18.34 17.70 0.25 o 4 0 2 0 31.92 33.11 0.37 o 4 0 2 1 19.91 19.82 0.23 o 4 0 2 2 10.50 10.01 0.19 o 4 0 2 3 6.32 6.17 0.22 o 4 0 2 4 2.45 2.08 0.41 < 4 0 2 5 2.47 1.87 0.43 < 4 0 2 6 4.88 4.80 0.28 o 6 0 2 0 1.79 1.70 0.56 < 6 0 2 1 1.82 1.55 0.41 < 6 0 2 2 0.55 0.11 1.55 < 6 0 2 3 14.02 13.49 0.20 o 6 0 2 4 30.72 32.67 0.34 o 6 0 2 5 22.08 22.32 0.26 o 6 0 2 6 13.55 13.44 0.21 o 8 0 2 0 6.19 5.74 0.34 o 8 0 2 1 20.94 22.04 0.26 o 8 0 2 2 20.08 20.37 0.25 o 8 0 2 3 13.91 14.00 0.21 o 8 0 2 4 1.64 1.04 0.58 < 8 0 2 5 1.61 1.76 0.65 < 8 0 2 6 0.00 0.19 6.52 < 10 0 2 0 1.48 0.39 0.91 < 10 0 2 1 3.55 3.61 0.34 o 10 0 2 2 7.87 7.50 0.22 o 10 0 2 3 15.34 15.32 0.22 o 10 0 2 4 10.75 11.07 0.22 o 10 0 2 5 1.30 1.95 0.77 < 10 0 2 6 6.16 6.07 0.25 o 12 0 2 0 6.58 6.75 0.36 o 12 0 2 1 5.36 5.10 0.30 o 12 0 2 2 8.76 8.58 0.24 o 12 0 2 3 10.14 10.02 0.23 o 12 0 2 4 5.92 6.17 0.26 o 12 0 2 5 1.95 1.96 0.54 < 12 0 2 6 0.89 0.32 1.17 < 14 0 2 0 2.37 2.44 0.87 < 14 0 2 1 6.97 6.85 0.32 o 14 0 2 2 10.41 10.00 0.26 o 14 0 2 3 10.40 10.34 0.26 o 14 0 2 4 0.89 1.21 1.40 < 14 0 2 5 4.31 5.01 0.37 o 14 0 2 6 0.00 0.77 7.42 < 16 0 2 0 1.67 2.67 1.23 < 16 0 2 1 1.00 1.78 1.45 < 16 0 2 2 1.76 2.05 0.77 < 16 0 2 3 6.40 5.88 0.31 o 16 0 2 4 7.50 7.10 0.30 o 16 0 2 5 6.66 6.05 0.31 o 16 0 2 6 3.29 2.90 0.46 o 18 0 2 0 6.52 6.06 0.48 o 18 0 2 1 2.92 2.61 0.55 < 18 0 2 2 4.52 3.90 0.42 o 18 0 2 3 2.65 1.41 0.62 < 0 1 2 -4 13.45 13.38 0.31 o 0 1 2 -2 33.66 34.64 0.46 o 0 1 2 0 15.08 15.94 0.38 o 0 1 2 2 0.45 1.82 5.70 < 0 1 2 4 11.58 14.11 0.41 o 0 1 2 6 1.64 2.26 1.46 < 2 1 2 -5 20.57 20.45 0.27 o 2 1 2 -4 4.71 4.47 0.31 o 2 1 2 -3 4.54 4.50 0.36 o 2 1 2 -2 0.71 1.34 1.84 < 2 1 2 -1 11.85 13.17 0.25 o 2 1 2 0 5.17 5.73 0.33 o 2 1 2 1 6.32 6.10 0.30 o 2 1 2 2 9.34 9.93 0.29 o 2 1 2 3 15.57 16.54 0.32 o 2 1 2 4 2.14 2.06 0.79 < 2 1 2 5 18.72 19.56 0.32 o 2 1 2 6 1.05 1.16 1.81 < 4 1 2 -5 9.32 8.56 0.22 o 4 1 2 -4 1.05 1.42 1.00 < 4 1 2 -3 20.41 20.98 0.26 o 4 1 2 -2 25.53 27.41 0.31 o 4 1 2 -1 1.55 1.61 0.74 < 4 1 2 0 20.11 21.53 0.27 o 4 1 2 1 13.05 13.29 0.23 o 4 1 2 2 0.95 0.31 1.26 < 4 1 2 3 6.33 6.57 0.31 o 4 1 2 4 9.81 9.97 0.27 o 4 1 2 5 9.50 8.91 0.26 o 4 1 2 6 1.05 0.30 1.29 < 6 1 2 -5 12.97 12.83 0.21 o 6 1 2 -4 11.79 12.25 0.21 o 6 1 2 -3 0.84 1.00 1.14 < 6 1 2 -2 6.21 6.05 0.24 o 6 1 2 -1 1.58 1.41 0.66 < 6 1 2 0 10.87 10.57 0.22 o 6 1 2 1 6.72 6.53 0.26 o 6 1 2 2 12.69 12.95 0.22 o 6 1 2 3 10.52 10.07 0.22 o 6 1 2 4 0.00 0.60 7.42 < 6 1 2 5 9.42 9.67 0.23 o 6 1 2 6 8.98 8.62 0.23 o 8 1 2 -5 1.84 2.06 0.52 < 8 1 2 -4 14.56 14.89 0.22 o 8 1 2 -3 17.58 18.02 0.24 o 8 1 2 -2 2.57 2.45 0.39 o 8 1 2 -1 3.19 3.10 0.33 o 8 1 2 0 10.19 9.94 0.21 o 8 1 2 1 11.65 12.22 0.21 o 8 1 2 2 0.63 1.00 1.58 < 8 1 2 3 6.65 6.60 0.24 o 8 1 2 4 1.34 1.32 0.82 < 8 1 2 5 4.43 4.09 0.29 o 8 1 2 6 7.85 7.87 0.23 o 10 1 2 -5 10.04 9.82 0.21 o 10 1 2 -4 15.75 16.43 0.23 o 10 1 2 -3 6.57 6.44 0.23 o 10 1 2 -2 3.86 3.40 0.30 o 10 1 2 -1 1.05 1.08 0.91 < 10 1 2 0 2.02 1.58 0.49 < 10 1 2 1 12.89 13.14 0.21 o 10 1 2 2 9.41 8.82 0.21 o 10 1 2 3 4.95 4.84 0.26 o 10 1 2 4 4.51 4.72 0.28 o 10 1 2 5 1.38 1.36 0.73 < 10 1 2 6 9.36 8.75 0.23 o 12 1 2 -5 7.35 6.60 0.24 o 12 1 2 -4 15.80 16.07 0.23 o 12 1 2 -3 7.54 7.23 0.23 o 12 1 2 -2 0.63 0.65 1.58 < 12 1 2 -1 1.70 0.87 0.59 < 12 1 2 0 0.32 0.51 3.16 < 12 1 2 1 9.52 9.57 0.22 o 12 1 2 2 4.42 4.41 0.29 o 12 1 2 3 5.59 4.94 0.24 o 12 1 2 4 4.36 4.36 0.30 o 12 1 2 5 0.00 0.91 7.25 < 12 1 2 6 8.38 7.74 0.25 o 14 1 2 -5 1.18 1.15 0.93 < 14 1 2 -4 8.31 7.60 0.22 o 14 1 2 -3 5.89 6.08 0.25 o 14 1 2 -2 3.11 2.82 0.37 o 14 1 2 -1 0.45 1.07 2.24 < 14 1 2 0 6.55 6.17 0.25 o 14 1 2 1 8.27 7.75 0.23 o 14 1 2 2 1.26 0.29 0.91 < 14 1 2 3 1.26 1.21 0.91 < 14 1 2 4 1.26 0.14 0.95 < 14 1 2 5 1.84 1.49 0.68 < 16 1 2 -5 6.00 5.47 0.30 o 16 1 2 -4 5.30 4.96 0.30 o 16 1 2 -3 2.39 1.71 0.57 < 16 1 2 -2 0.00 0.69 7.75 < 16 1 2 -1 1.41 0.28 0.78 < 16 1 2 0 2.61 2.80 0.46 < 16 1 2 1 3.32 2.62 0.38 o 0 2 2 -4 6.94 9.02 0.57 o 0 2 2 -2 13.74 13.10 0.64 o 0 2 2 0 6.70 6.67 0.61 o 0 2 2 2 7.91 7.87 0.57 o 2 2 2 -5 1.87 2.11 0.88 < 2 2 2 -4 4.30 5.56 0.46 o 2 2 2 -3 9.25 10.06 0.34 o 2 2 2 -2 2.70 2.35 0.67 < 2 2 2 -1 0.00 1.22 8.94 < 2 2 2 0 1.87 0.85 0.96 < 2 2 2 1 0.89 1.73 1.96 < 2 2 2 2 2.14 0.78 0.84 < 2 2 2 3 7.09 6.94 0.37 o 4 2 2 -5 4.89 4.54 0.40 o 4 2 2 -4 5.42 5.16 0.38 o 4 2 2 -3 5.01 4.72 0.48 o 4 2 2 -2 8.87 9.26 0.33 o 4 2 2 -1 4.28 3.89 0.43 o 4 2 2 0 2.61 3.28 0.63 < 4 2 2 1 4.56 4.89 0.44 o 4 2 2 2 4.24 4.03 0.46 o 4 2 2 3 0.71 1.10 2.62 < 6 2 2 -5 3.78 3.62 0.35 o 6 2 2 -4 9.06 8.62 0.25 o 6 2 2 -3 3.22 3.13 0.44 o 6 2 2 -2 5.01 4.79 0.35 o 6 2 2 -1 3.94 4.32 0.47 o 6 2 2 0 0.95 1.21 1.53 < 6 2 2 1 3.07 3.30 0.56 < 6 2 2 2 3.82 3.97 0.47 o 8 2 2 -5 4.53 4.51 0.29 o 8 2 2 -4 6.43 5.94 0.25 o 8 2 2 -3 4.67 4.58 0.30 o 8 2 2 -2 5.33 5.42 0.30 o 8 2 2 -1 4.06 4.16 0.41 o 8 2 2 0 1.58 0.34 1.01 < 10 2 2 -5 0.95 1.02 1.16 < 10 2 2 -4 6.16 6.01 0.26 o 10 2 2 -3 1.18 2.53 1.10 < 10 2 2 -2 1.76 1.19 0.74 < 10 2 2 -1 3.66 3.30 0.41 o 12 2 2 -5 2.59 1.72 0.52 < 12 2 2 -4 2.98 3.22 0.49 o 1 0 3 0 6.44 6.30 0.23 o 1 0 3 1 4.59 4.48 0.20 o 1 0 3 2 12.96 12.80 0.21 o 1 0 3 3 18.67 19.27 0.24 o 1 0 3 4 11.05 11.20 0.23 o 1 0 3 5 1.34 1.23 0.89 < 1 0 3 6 2.79 2.97 0.48 < 3 0 3 0 3.62 3.63 0.42 o 3 0 3 1 17.92 18.29 0.24 o 3 0 3 2 21.85 22.17 0.27 o 3 0 3 3 17.75 18.00 0.25 o 3 0 3 4 0.00 0.08 7.25 < 3 0 3 5 6.13 6.03 0.27 o 3 0 3 6 2.55 2.15 0.49 < 5 0 3 0 3.63 3.41 0.43 o 5 0 3 1 4.39 4.16 0.24 o 5 0 3 2 2.26 1.95 0.47 < 5 0 3 3 14.58 14.43 0.22 o 5 0 3 4 21.35 22.31 0.27 o 5 0 3 5 14.56 14.86 0.23 o 5 0 3 6 9.52 9.30 0.24 o 7 0 3 0 18.50 18.21 0.29 o 7 0 3 1 10.77 10.80 0.22 o 7 0 3 2 9.87 9.69 0.23 o 7 0 3 3 2.39 2.47 0.48 < 7 0 3 4 4.96 5.11 0.30 o 7 0 3 5 0.00 0.13 7.07 < 7 0 3 6 1.14 0.45 0.92 < 9 0 3 0 0.00 0.45 8.66 < 9 0 3 1 2.79 3.13 0.47 o 9 0 3 2 2.76 3.11 0.42 o 9 0 3 3 1.48 0.97 0.71 < 9 0 3 4 8.39 8.18 0.24 o 9 0 3 5 19.07 19.20 0.26 o 9 0 3 6 8.85 8.37 0.24 o 11 0 3 0 23.56 24.35 0.38 o 11 0 3 1 2.28 2.17 0.55 < 11 0 3 2 3.70 3.19 0.39 o 11 0 3 3 2.07 1.90 0.55 < 11 0 3 4 2.47 3.06 0.49 < 11 0 3 5 1.61 1.53 0.65 < 11 0 3 6 1.70 1.99 0.65 < 13 0 3 0 1.05 1.62 1.62 < 13 0 3 1 1.34 0.18 0.93 < 13 0 3 2 1.45 1.34 0.86 < 13 0 3 3 1.30 0.17 0.96 < 13 0 3 4 3.46 3.33 0.43 o 13 0 3 5 14.11 13.61 0.26 o 13 0 3 6 4.05 3.46 0.34 o 15 0 3 0 9.06 8.82 0.40 o 15 0 3 1 4.46 4.06 0.38 o 15 0 3 2 1.90 1.90 0.74 < 15 0 3 3 3.16 3.46 0.46 o 15 0 3 4 0.55 0.06 2.37 < 15 0 3 5 0.00 0.59 7.91 < 15 0 3 6 1.82 1.65 0.74 < 1 1 3 -5 12.96 13.45 0.26 o 1 1 3 -4 22.33 24.06 0.31 o 1 1 3 -3 9.43 8.93 0.31 o 1 1 3 -2 1.52 2.03 0.86 < 1 1 3 -1 1.64 0.89 0.79 < 1 1 3 0 0.32 0.13 4.27 < 1 1 3 1 15.82 16.93 0.34 o 1 1 3 2 8.94 8.66 0.33 o 1 1 3 3 5.60 6.27 0.35 o 1 1 3 4 6.42 6.67 0.33 o 1 1 3 5 1.34 1.82 1.08 < 1 1 3 6 10.27 11.66 0.33 o 3 1 3 -5 0.00 0.18 7.58 < 3 1 3 -4 15.44 16.34 0.25 o 3 1 3 -3 14.37 14.84 0.25 o 3 1 3 -2 2.41 2.83 0.56 < 3 1 3 -1 0.63 0.27 1.82 < 3 1 3 0 10.52 11.96 0.25 o 3 1 3 1 12.46 13.38 0.27 o 3 1 3 2 0.00 0.43 7.91 < 3 1 3 3 3.58 4.45 0.45 o 3 1 3 4 0.84 1.13 1.73 < 3 1 3 5 3.22 3.21 0.54 < 3 1 3 6 7.79 8.23 0.33 o 5 1 3 -5 12.24 12.57 0.23 o 5 1 3 -4 9.90 10.35 0.26 o 5 1 3 -3 3.92 3.76 0.35 o 5 1 3 -2 0.00 2.03 7.75 < 5 1 3 -1 1.26 0.92 0.95 < 5 1 3 0 8.02 7.85 0.27 o 5 1 3 1 6.82 6.20 0.29 o 5 1 3 2 9.50 9.37 0.26 o 5 1 3 3 6.91 6.92 0.29 o 5 1 3 4 1.82 1.48 0.74 < 5 1 3 5 9.28 9.59 0.27 o 5 1 3 6 7.77 7.13 0.30 o 7 1 3 -5 4.92 4.75 0.30 o 7 1 3 -4 3.33 3.23 0.36 o 7 1 3 -3 12.49 12.67 0.23 o 7 1 3 -2 14.22 14.40 0.23 o 7 1 3 -1 1.79 1.27 0.62 < 7 1 3 0 14.87 15.12 0.25 o 7 1 3 1 8.65 8.57 0.25 o 7 1 3 2 0.63 1.11 1.82 < 7 1 3 3 3.03 3.62 0.43 o 7 1 3 4 5.21 5.13 0.31 o 7 1 3 5 6.12 6.13 0.30 o 7 1 3 6 1.10 0.87 1.14 < 9 1 3 -5 12.81 12.73 0.23 o 9 1 3 -4 0.77 0.81 1.36 < 9 1 3 -3 3.66 3.76 0.34 o 9 1 3 -2 1.92 1.30 0.57 < 9 1 3 -1 4.93 5.03 0.29 o 9 1 3 0 3.45 3.68 0.36 o 9 1 3 1 1.26 1.34 0.87 < 9 1 3 2 5.04 4.93 0.32 o 9 1 3 3 7.91 7.47 0.25 o 9 1 3 4 1.90 0.24 0.61 < 9 1 3 5 10.96 10.54 0.23 o 9 1 3 6 0.77 0.32 1.55 < 11 1 3 -5 3.05 2.41 0.41 o 11 1 3 -4 3.55 3.89 0.37 o 11 1 3 -3 0.00 0.67 7.58 < 11 1 3 -2 13.35 13.04 0.24 o 11 1 3 -1 1.38 0.99 0.83 < 11 1 3 0 7.51 7.36 0.25 o 11 1 3 1 1.97 1.98 0.58 < 11 1 3 2 0.00 0.18 7.58 < 11 1 3 3 1.14 0.36 0.96 < 11 1 3 4 5.85 5.53 0.30 o 11 1 3 5 0.00 0.52 7.42 < 11 1 3 6 0.45 0.74 2.57 < 13 1 3 -5 5.97 5.65 0.27 o 13 1 3 -4 3.26 3.18 0.39 o 13 1 3 -3 1.30 1.77 0.88 < 13 1 3 -2 1.05 0.29 1.10 < 13 1 3 -1 4.10 3.82 0.32 o 13 1 3 0 1.52 0.74 0.79 < 13 1 3 1 1.90 2.13 0.66 < 13 1 3 2 2.68 2.47 0.50 < 13 1 3 3 6.20 5.34 0.29 o 15 1 3 -5 1.05 1.09 1.29 < 15 1 3 -4 1.58 0.16 0.89 < 15 1 3 -3 4.79 4.39 0.33 o 15 1 3 -2 7.84 7.27 0.26 o 1 2 3 -5 1.30 1.47 1.07 < 1 2 3 -4 4.83 6.03 0.38 o 1 2 3 -3 2.65 2.86 0.57 < 1 2 3 -2 1.26 1.53 1.19 < 1 2 3 -1 4.16 4.08 0.42 o 1 2 3 0 1.05 0.07 1.43 < 1 2 3 1 5.59 5.20 0.36 o 3 2 3 -5 3.61 3.68 0.49 o 3 2 3 -4 5.67 5.37 0.37 o 3 2 3 -3 5.25 4.93 0.44 o 3 2 3 -2 4.89 5.61 0.41 o 3 2 3 -1 4.27 4.71 0.41 o 3 2 3 0 1.90 0.57 0.79 < 5 2 3 -5 2.41 2.62 0.60 < 5 2 3 -4 6.35 6.70 0.33 o 5 2 3 -3 2.59 2.21 0.58 < 5 2 3 -2 3.48 3.79 0.43 o 5 2 3 -1 4.05 4.09 0.46 o 5 2 3 0 0.00 0.44 8.06 < 7 2 3 -5 2.63 2.51 0.51 < 7 2 3 -4 2.97 2.98 0.49 o 7 2 3 -3 3.65 3.11 0.41 o 7 2 3 -2 7.08 6.81 0.31 o 9 2 3 -5 1.18 0.33 1.06 < 9 2 3 -4 2.41 2.42 0.56 < 9 2 3 -3 5.19 4.81 0.32 o 0 0 4 0 29.33 31.85 0.40 o 0 0 4 2 3.22 3.08 0.61 < 0 0 4 4 2.79 3.07 0.77 < 0 0 4 6 3.86 3.62 0.65 < 2 0 4 0 0.00 0.32 8.66 < 2 0 4 1 0.77 0.44 1.42 < 2 0 4 2 1.14 0.88 0.92 < 2 0 4 3 1.10 0.46 1.00 < 2 0 4 4 7.28 6.95 0.26 o 2 0 4 5 20.38 21.16 0.27 o 2 0 4 6 8.09 7.49 0.25 o 4 0 4 0 16.41 16.09 0.43 o 4 0 4 1 9.01 9.06 0.29 o 4 0 4 2 5.70 5.05 0.29 o 4 0 4 3 3.77 3.46 0.32 o 4 0 4 4 0.77 1.28 1.29 < 4 0 4 5 0.00 0.28 7.25 < 4 0 4 6 2.19 2.08 0.53 < 6 0 4 0 1.64 1.30 1.34 < 6 0 4 1 1.26 0.54 1.03 < 6 0 4 2 1.45 0.55 0.83 < 6 0 4 3 6.96 6.33 0.29 o 6 0 4 4 15.80 15.34 0.30 o 6 0 4 5 11.18 10.83 0.25 o 6 0 4 6 6.56 6.26 0.27 o 8 0 4 0 3.61 3.12 0.53 o 8 0 4 1 10.69 10.50 0.29 o 8 0 4 2 10.39 9.56 0.26 o 8 0 4 3 7.72 7.11 0.30 o 8 0 4 4 1.26 0.84 1.03 < 8 0 4 5 1.76 1.04 0.74 < 8 0 4 6 0.00 0.31 7.91 < 10 0 4 0 1.10 0.15 1.55 < 10 0 4 1 2.24 2.16 0.56 < 10 0 4 2 4.39 3.90 0.36 o 10 0 4 3 8.68 7.58 0.27 o 10 0 4 4 5.85 5.80 0.33 o 10 0 4 5 0.00 0.66 8.06 < 10 0 4 6 3.27 3.07 0.47 o 12 0 4 0 3.02 3.24 0.68 < 12 0 4 1 3.02 2.77 0.47 o 12 0 4 2 4.72 4.33 0.35 o 12 0 4 3 6.06 5.20 0.31 o 12 0 4 4 3.89 3.51 0.40 o 12 0 4 5 1.95 1.14 0.64 < 12 0 4 6 0.00 0.29 8.22 < 14 0 4 0 2.10 1.55 0.93 < 14 0 4 1 3.99 3.63 0.40 o 14 0 4 2 6.67 5.02 0.31 o 14 0 4 3 6.24 5.29 0.33 o 0 1 4 -4 5.59 5.75 0.45 o 0 1 4 -2 15.87 16.78 0.34 o 0 1 4 0 7.69 8.60 0.53 o 0 1 4 2 1.64 0.53 1.10 < 0 1 4 4 6.99 7.08 0.55 o 0 1 4 6 1.84 1.12 1.03 < 2 1 4 -5 10.17 10.02 0.24 o 2 1 4 -4 2.41 2.45 0.52 < 2 1 4 -3 2.32 2.54 0.54 < 2 1 4 -2 1.14 0.53 1.01 < 2 1 4 -1 6.07 6.08 0.30 o 2 1 4 0 2.61 2.71 0.52 < 2 1 4 1 2.57 2.78 0.55 < 2 1 4 2 4.24 4.70 0.34 o 2 1 4 3 7.45 8.23 0.27 o 2 1 4 4 1.14 1.09 1.10 < 2 1 4 5 9.36 10.18 0.27 o 2 1 4 6 1.26 0.86 0.99 < 4 1 4 -5 3.70 3.62 0.35 o 4 1 4 -4 0.32 0.78 3.48 < 4 1 4 -3 9.93 9.90 0.25 o 4 1 4 -2 13.59 13.28 0.25 o 4 1 4 -1 1.10 0.64 1.10 < 4 1 4 0 10.55 10.71 0.26 o 4 1 4 1 7.06 6.78 0.29 o 4 1 4 2 0.00 0.22 7.75 < 4 1 4 3 2.74 3.14 0.51 < 4 1 4 4 4.71 4.98 0.36 o 4 1 4 5 4.29 4.36 0.35 o 4 1 4 6 0.77 0.15 1.68 < 6 1 4 -5 6.90 6.41 0.27 o 6 1 4 -4 6.47 6.54 0.28 o 6 1 4 -3 0.00 0.36 7.58 < 6 1 4 -2 2.98 2.61 0.45 o 6 1 4 -1 1.05 0.90 1.14 < 6 1 4 0 4.52 5.04 0.36 o 6 1 4 1 2.92 3.25 0.48 o 6 1 4 2 6.39 6.51 0.30 o 6 1 4 3 5.65 5.24 0.32 o 6 1 4 4 0.95 0.56 1.37 < 6 1 4 5 4.67 5.11 0.36 o 6 1 4 6 5.15 4.64 0.33 o 8 1 4 -5 0.77 0.82 1.74 < 8 1 4 -4 7.85 7.32 0.32 o 8 1 4 -3 9.02 9.01 0.28 o 8 1 4 -2 1.14 1.71 1.14 < 8 1 4 -1 2.07 1.35 0.65 < 8 1 4 0 5.06 4.92 0.38 o 8 1 4 1 6.43 6.60 0.30 o 8 1 4 2 1.10 0.72 1.19 < 8 1 4 3 3.16 3.37 0.48 o 8 1 4 4 0.55 0.56 2.37 < 8 1 4 5 2.02 2.19 0.67 < 10 1 4 -5 5.34 4.67 0.36 o 10 1 4 -4 8.90 8.38 0.31 o 10 1 4 -3 4.01 3.48 0.43 o 10 1 4 -2 2.14 1.71 0.72 < 10 1 4 -1 0.00 0.45 8.80 < 10 1 4 0 0.55 0.75 2.37 < 10 1 4 1 6.91 6.71 0.32 o 10 1 4 2 4.74 4.53 0.38 o 10 1 4 3 2.85 2.63 0.53 < 12 1 4 -5 4.06 3.29 0.43 o 12 1 4 -4 8.87 8.14 0.30 o 12 1 4 -3 3.71 3.78 0.45 o 12 1 4 -2 0.00 0.36 8.37 < 12 1 4 -1 0.63 0.46 2.37 < 0 2 4 -4 3.87 4.47 0.61 o 2 2 4 -5 1.05 1.07 1.24 < 2 2 4 -4 2.53 2.76 0.61 < 2 2 4 -3 4.81 5.25 0.35 o 4 2 4 -5 2.37 2.26 0.57 < 4 2 4 -4 2.81 2.79 0.48 < 6 2 4 -5 1.84 1.81 0.73 < 1 0 5 0 2.65 2.31 0.81 < 1 0 5 1 2.77 2.21 0.54 < 1 0 5 2 5.92 4.95 0.28 o 1 0 5 3 8.12 7.41 0.28 o 1 0 5 4 5.08 4.85 0.34 o 1 0 5 5 1.05 0.08 1.33 < 1 0 5 6 1.64 1.47 0.85 < 3 0 5 0 2.72 1.95 0.85 < 3 0 5 1 7.86 7.04 0.32 o 3 0 5 2 9.33 8.19 0.32 o 3 0 5 3 7.89 7.07 0.34 o 3 0 5 4 0.71 0.41 1.98 < 3 0 5 5 2.02 2.36 0.62 < 3 0 5 6 1.90 0.47 0.66 < 5 0 5 0 0.00 1.69 9.87 < 5 0 5 1 1.79 1.32 0.84 < 5 0 5 2 2.02 1.05 0.77 < 5 0 5 3 7.00 5.42 0.37 o 5 0 5 4 9.74 8.64 0.34 o 5 0 5 5 7.40 6.17 0.33 o 5 0 5 6 3.66 3.59 0.47 o 7 0 5 0 8.60 7.76 0.51 o 7 0 5 1 5.27 4.28 0.44 o 7 0 5 2 4.82 3.97 0.45 o 7 0 5 3 1.67 1.43 0.99 < 7 0 5 4 0.71 2.05 2.40 < 7 0 5 5 0.77 0.33 1.94 < 7 0 5 6 1.18 0.20 1.31 < 9 0 5 0 1.41 0.07 1.70 < 9 0 5 1 1.10 1.40 1.51 < 9 0 5 2 1.92 1.01 0.94 < 9 0 5 3 2.41 0.56 0.77 < 9 0 5 4 4.06 3.21 0.51 o 9 0 5 5 9.39 8.11 0.36 o 9 0 5 6 3.61 3.04 0.50 o 1 1 5 -5 5.70 4.92 0.35 o 1 1 5 -4 9.80 9.45 0.29 o 1 1 5 -3 3.90 3.78 0.46 o 1 1 5 -2 1.18 0.86 1.27 < 1 1 5 -1 1.52 0.25 1.02 < 1 1 5 0 0.55 0.12 2.65 < 1 1 5 1 7.12 6.80 0.36 o 1 1 5 2 3.77 3.65 0.48 o 1 1 5 3 3.33 2.75 0.54 o 3 1 5 -5 1.05 0.01 1.19 < 3 1 5 -4 7.10 6.36 0.28 o 3 1 5 -3 6.44 6.13 0.29 o 3 1 5 -2 1.95 1.66 0.69 < 3 1 5 -1 0.89 0.05 1.51 < 3 1 5 0 5.02 4.68 0.35 o 3 1 5 1 6.24 5.82 0.32 o 3 1 5 2 1.00 0.26 1.40 < 5 1 5 -5 5.34 5.14 0.35 o 5 1 5 -4 4.56 4.60 0.38 o 5 1 5 -3 1.92 1.24 0.73 < 5 1 5 -2 0.55 0.63 2.56 < 5 1 5 -1 0.00 0.12 8.06 < 5 1 5 0 3.29 3.09 0.46 o 5 1 5 1 3.05 2.49 0.51 o 7 1 5 -5 0.00 1.71 8.80 < 7 1 5 -4 1.70 1.24 0.97 < 7 1 5 -3 5.89 5.04 0.39 o 7 1 5 -2 6.63 6.03 0.33 o 7 1 5 -1 0.00 0.42 7.91 < 9 1 5 -5 6.56 5.32 0.37 o