#======================================================================= data_global #======================================================================= _audit_creation_method 'Jana2006 Version : 23/05/2016' # 1. PROCESSING SUMMARY (IUCr Office Use Only) _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_paper_category ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name 'Sara Riccò' _publ_contact_author_address ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; _publ_contact_author_email Sara.Ricco@unige.ch _publ_contact_author_phone +41 223793487 _publ_requested_journal ? _publ_requested_category ? _publ_contact_letter ; ? ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; In-situ strain tuning of the metal-insulator transition of Ca2RuO4 in angle-resolved photoemission experiments ; loop_ _publ_author_name _publ_author_address 'Riccò, Sara' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Kim, Minjae' ; Centre de Physique Théorique Ecole Polytechnique CNRS, Universite Paris-Saclay 91128 Palaiseau France ; College de France 11 place Marcelin Berthelot 75005 Paris France ; 'Tamai, Anna' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'McKeown Walker, Siobhan' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Bruno, Flavio Yair' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Cucchi, Irène' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Cappelli, Edoardo' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Besnard, Céline' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Kim, Timur K.' ; Diamond Light Source Harwell Campus Didcot United Kingdom ; 'Dudin, Pavel' ; Diamond Light Source Harwell Campus Didcot United Kingdom ; 'Hoesch, Moritz' ; Diamond Light Source Harwell Campus Didcot United Kingdom ; 'Gutmann, Matthias J.' ; ISIS Facility Rutherford Appleton Laboratory Chilton, Didcot Oxon, OX11 0QX United Kingdom ; 'Georges, Antoine' ; Centre de Physique Théorique Ecole Polytechnique CNRS, Universite Paris-Saclay 91128 Palaiseau France ; College de France 11 place Marcelin Berthelot 75005 Paris France ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; 'Perry, Robin S.' ; London Centre for Nanotechnology and UCL Centre for Materials Discovery University College London London WC1E 6BT United Kingdom ; 'Baumberger, Felix' ; Department of Quantum Matter Physics University of Geneva 24 Quai Ernest-Ansermet 1211 Geneva 4 Switzerland ; Swiss Light Source Paul Scherrer Institut CH-5232 Villigen PSI Switzerland ; #======================================================================= # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_introduction ; ? ; _publ_section_experimental ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_exptl_solution ; ? ; _publ_section_discussion ; ? ; _publ_section_acknowledgements ; ? ; _publ_section_references ; Petricek, V., Dusek, M. & Palatinus L. (2014). Z. Kristallogr. 229(5), 345-352. Palatinus L. & Chapuis G. (2007). J. Appl. Cryst. 40, 786-790. # enable this reference if Diamond ver. 2 was used for visualization #Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR, Bonn, Germany. # enable this reference if Diamond ver. 3 was used for visualization #Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany. # enable this reference if SIR97 was used for solving of the structure #Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C., #Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997). #SIR97. A Package for Crystal Structure Solution by Direct Methods #and Refinement, Bari, Rome, Italy. # use this reference if SIR2002 was used for solving of the structure #Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C., #Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103 # use this reference if SIR2011 was used for solving of the structure #Burla, M.C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, #G.L., Giacovazzo, C., Mallamo. M., Mazzone, A., Polidori, G., Spagna, R. #SIR2011: a new package for crystal structure determination and refinement, #J.Appl.Cryst. (2012) 45, 357-361 # enable this reference if bond valences were calculated #Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480. # enable this reference if Xshape wase used for crystal shape refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany. # enable this reference if Flack coefficient was refined #Flack, H. D. (1983). Acta Cryst. A39, 876-881. ; _publ_section_figure_captions ; ? ; _publ_section_table_legends ; ? ; #======================================================================= data_I #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common Calcium ruthenate 214 _chemical_formula_moiety 'Ca2 O4 Ru1' _chemical_formula_sum 'Ca2 O4 Ru1' _chemical_formula_weight 245.3 #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b c a' _symmetry_space_group_name_Hall '-P -2xab;-2ybc;-2zac' _symmetry_Int_Tables_number 61 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x+1/2,-y,z+1/2 3 -x,y+1/2,-z+1/2 4 x+1/2,-y+1/2,-z 5 -x,-y,-z 6 x+1/2,y,-z+1/2 7 x,-y+1/2,z+1/2 8 -x+1/2,y+1/2,z _cell_length_a 5.379(2) _cell_length_b 5.630(2) _cell_length_c 11.723(4) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 355.0(2) loop_ _twin_individual_id _twin_individual_mass_fraction_refined _twin_individual_twin_matrix_11 _twin_individual_twin_matrix_12 _twin_individual_twin_matrix_13 _twin_individual_twin_matrix_21 _twin_individual_twin_matrix_22 _twin_individual_twin_matrix_23 _twin_individual_twin_matrix_31 _twin_individual_twin_matrix_32 _twin_individual_twin_matrix_33 ? ? ? ? ? ? ? ? ? ? ? _cell_formula_units_Z 4 _cell_measurement_reflns_used 330 _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 10 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 4.5885 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 158.568 _exptl_absorpt_coefficient_mu 0 _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 ? _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist ? ? ? ? #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details For peak integration a local UB matrix refined for each frame, using approximately 30 reflections from each of the 11 detectors. Hence _cell_measurement_reflns_used 330 For final cell dimensions a weighted average of all local cells was calculated Because of the nature of the experiment, it is not possible to give values of theta_min and theta_max for the cell determination. The same applies for the wavelength used for the experiment. The range of wavelengths used was 0.23 - 8.8 Angstroms, BUT the bulk of the diffraction information is obtained from wavelengths in the range 0.7-2.5 Angstroms. The data collection procedures on the SXD instrument used for the single crystal neutron data collection are most recently summarised in the Appendix to the following paper Wilson, C.C. (1997). J. Mol. Struct. 405, 207-217. ; _diffrn_ambient_temperature 10 _diffrn_source ? _diffrn_source_power ? _diffrn_source_voltage ? _diffrn_source_current ? _diffrn_radiation_type neutron _diffrn_radiation_source 'ISIS spallation source' _diffrn_radiation_wavelength 0.23 - 8.8 _diffrn_radiation_monochromator ? _diffrn_measurement_device ? _diffrn_measurement_device_type SXD _diffrn_detector ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method time-of-flight LAUE diffraction _diffrn_measurement_specimen_support ? _diffrn_reflns_number 4780 _diffrn_reflns_theta_min 2.3 _diffrn_reflns_theta_max 79.62 _diffrn_reflns_theta_full 10.39 _diffrn_measured_fraction_theta_max 0.05 _diffrn_measured_fraction_theta_full 0.69 _diffrn_reflns_av_R_equivalents ? _diffrn_reflns_av_unetI/netI 0.2864 _diffrn_reflns_limit_h_min -20 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min -18 _diffrn_reflns_limit_k_max 15 _diffrn_reflns_limit_l_min -39 _diffrn_reflns_limit_l_max 40 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? loop_ _diffrn_standard_refln_index_h _diffrn_standard_refln_index_k _diffrn_standard_refln_index_l ? ? ? _diffrn_radiation_probe neutron #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; The variable wavelength nature of the data collection procedure means that sensible values of _diffrn_reflns_theta_min & _diffrn_reflns_theta_max cannot be given instead the following limits are given _diffrn_reflns_sin(theta)/lambda_min 0.05 _diffrn_reflns_sin(theta)/lambda_max 1.31 _refine_diff_density_max/min is given in Fermi per per angstrom cubed not electons per angstrom cubed. Another way to consider the _refine_diff_density_ is as a percentage of the diffracted intensity of a given atom: _refine_diff_density_max = 5% of Carbon _refine_diff_density_min = -4% of Carbon Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _reflns_number_total 4775 _reflns_number_gt 2944 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef Fsqd _refine_ls_R_factor_gt 0.0992 _refine_ls_wR_factor_gt 0.2276 _refine_ls_R_factor_all 0.1583 _refine_ls_wR_factor_ref 0.2507 _refine_ls_goodness_of_fit_ref 2.47 _refine_ls_goodness_of_fit_gt 2.84 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 4775 _refine_ls_number_parameters 39 _refine_ls_number_restraints 0 _refine_ls_number_constraints 0 _refine_ls_weighting_scheme sigma _refine_ls_weighting_details 'w=1/(\s^2^(I)+0.0004I^2^)' _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0329 _refine_ls_shift/su_mean 0.0067 _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 4.34(19) _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_length_neutron _atom_type_scat_source Ca 4.700 International_Tables_Vol_C Ru 7.030 International_Tables_Vol_C O 5.803 International_Tables_Vol_C _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement ? _computing_molecular_graphics ? _computing_publication_material ? loop_ _restr_distance_atom_site_label_1 _restr_distance_site_symmetry_1 _restr_distance_atom_site_label_2 _restr_distance_site_symmetry_2 _restr_distance_target _restr_distance_target_weight_param ? ? ? ? ? ? loop_ _restr_angle_atom_site_label_1 _restr_angle_site_symmetry_1 _restr_angle_atom_site_label_2 _restr_angle_site_symmetry_2 _restr_angle_atom_site_label_3 _restr_angle_site_symmetry_3 _restr_angle_target _restr_angle_target_weight_param ? ? ? ? ? ? ? ? loop_ _restr_torsion_atom_site_label_1 _restr_torsion_site_symmetry_1 _restr_torsion_atom_site_label_2 _restr_torsion_site_symmetry_2 _restr_torsion_atom_site_label_3 _restr_torsion_site_symmetry_3 _restr_torsion_atom_site_label_4 _restr_torsion_site_symmetry_4 _restr_torsion_angle_target _restr_torsion_weight_param ? ? ? ? ? ? ? ? ? ? loop_ _restr_equal_distance_atom_site_label_1 _restr_equal_distance_site_symmetry_1 _restr_equal_distance_atom_site_label_2 _restr_equal_distance_site_symmetry_2 _restr_equal_distance_class_class_id _restr_equal_distance_class_target_weight_param ? ? ? ? ? ? loop_ _restr_equal_angle_atom_site_label_1 _restr_equal_angle_site_symmetry_1 _restr_equal_angle_atom_site_label_2 _restr_equal_angle_site_symmetry_2 _restr_equal_angle_atom_site_label_3 _restr_equal_angle_site_symmetry_3 _restr_equal_angle_class_class_id _restr_equal_angle_class_target_weight_param ? ? ? ? ? ? ? ? loop_ _restr_equal_torsion_atom_site_label_1 _restr_equal_torsion_site_symmetry_1 _restr_equal_torsion_atom_site_label_2 _restr_equal_torsion_site_symmetry_2 _restr_equal_torsion_atom_site_label_3 _restr_equal_torsion_site_symmetry_3 _restr_equal_torsion_atom_site_label_4 _restr_equal_torsion_site_symmetry_4 _restr_equal_torsion_class_class_id _restr_equal_torsion_class_target_weight_param ? ? ? ? ? ? ? ? ? ? #======================================================================= # 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 _atom_site_disorder_assembly _atom_site_disorder_group Ru Ru 0.5 0 0 Uiso 0.0003(2) 4 1 d . . . O2 O 0.3055(2) 0.3003(4) 0.02799(13) Uani 0.0033(4) 8 1 d . . . O3 O 0.5689(2) -0.0224(4) 0.16471(12) Uani 0.0038(4) 8 1 d . . . Ca Ca 0.4971(3) 0.0587(4) 0.35281(14) Uani 0.0020(4) 8 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 O2 O 0.0012(4) 0.0071(10) 0.0017(5) 0.0000(6) 0.0002(4) -0.0009(7) O3 O 0.0038(4) 0.0072(11) 0.0003(5) -0.0006(6) 0.0004(4) -0.0001(7) Ca Ca 0.0019(4) 0.0037(10) 0.0006(5) 0.0016(7) 0.0006(6) 0.0011(6) loop_ _jana_atom_site_ADP_C_label _jana_atom_site_ADP_C_type_symbol _jana_atom_site_ADP_C_111 _jana_atom_site_ADP_C_112 _jana_atom_site_ADP_C_113 _jana_atom_site_ADP_C_122 _jana_atom_site_ADP_C_123 _jana_atom_site_ADP_C_133 _jana_atom_site_ADP_C_222 _jana_atom_site_ADP_C_223 _jana_atom_site_ADP_C_233 _jana_atom_site_ADP_C_333 ? ? ? ? ? ? ? ? ? ? ? ? loop_ _jana_atom_site_ADP_D_label _jana_atom_site_ADP_D_type_symbol _jana_atom_site_ADP_D_1111 _jana_atom_site_ADP_D_1112 _jana_atom_site_ADP_D_1113 _jana_atom_site_ADP_D_1122 _jana_atom_site_ADP_D_1123 _jana_atom_site_ADP_D_1133 _jana_atom_site_ADP_D_1222 _jana_atom_site_ADP_D_1223 _jana_atom_site_ADP_D_1233 _jana_atom_site_ADP_D_1333 _jana_atom_site_ADP_D_2222 _jana_atom_site_ADP_D_2223 _jana_atom_site_ADP_D_2233 _jana_atom_site_ADP_D_2333 _jana_atom_site_ADP_D_3333 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? loop_ _jana_atom_site_ADP_E_label _jana_atom_site_ADP_E_type_symbol _jana_atom_site_ADP_E_11111 _jana_atom_site_ADP_E_11112 _jana_atom_site_ADP_E_11113 _jana_atom_site_ADP_E_11122 _jana_atom_site_ADP_E_11123 _jana_atom_site_ADP_E_11133 _jana_atom_site_ADP_E_11222 _jana_atom_site_ADP_E_11223 _jana_atom_site_ADP_E_11233 _jana_atom_site_ADP_E_11333 _jana_atom_site_ADP_E_12222 _jana_atom_site_ADP_E_12223 _jana_atom_site_ADP_E_12233 _jana_atom_site_ADP_E_12333 _jana_atom_site_ADP_E_13333 _jana_atom_site_ADP_E_22222 _jana_atom_site_ADP_E_22223 _jana_atom_site_ADP_E_22233 _jana_atom_site_ADP_E_22333 _jana_atom_site_ADP_E_23333 _jana_atom_site_ADP_E_33333 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? loop_ _jana_atom_site_ADP_F_label _jana_atom_site_ADP_F_type_symbol _jana_atom_site_ADP_F_111111 _jana_atom_site_ADP_F_111112 _jana_atom_site_ADP_F_111113 _jana_atom_site_ADP_F_111122 _jana_atom_site_ADP_F_111123 _jana_atom_site_ADP_F_111133 _jana_atom_site_ADP_F_111222 _jana_atom_site_ADP_F_111223 _jana_atom_site_ADP_F_111233 _jana_atom_site_ADP_F_111333 _jana_atom_site_ADP_F_112222 _jana_atom_site_ADP_F_112223 _jana_atom_site_ADP_F_112233 _jana_atom_site_ADP_F_112333 _jana_atom_site_ADP_F_113333 _jana_atom_site_ADP_F_122222 _jana_atom_site_ADP_F_122223 _jana_atom_site_ADP_F_122233 _jana_atom_site_ADP_F_122333 _jana_atom_site_ADP_F_123333 _jana_atom_site_ADP_F_133333 _jana_atom_site_ADP_F_222222 _jana_atom_site_ADP_F_222223 _jana_atom_site_ADP_F_222233 _jana_atom_site_ADP_F_222333 _jana_atom_site_ADP_F_223333 _jana_atom_site_ADP_F_233333 _jana_atom_site_ADP_F_333333 ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag ? ? ? ? ? ? loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag ? ? ? ? ? ? ? ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion _geom_torsion_publ_flag ? ? ? ? ? ? ? ? ? ? loop_ _geom_hbond_atom_site_label_D _geom_hbond_atom_site_label_H _geom_hbond_atom_site_label_A _geom_hbond_site_symmetry_D _geom_hbond_site_symmetry_H _geom_hbond_site_symmetry_A _geom_hbond_distance_DH _geom_hbond_distance_HA _geom_hbond_distance_DA _geom_hbond_angle_DHA _geom_hbond_publ_flag ? ? ? ? ? ? ? ? ? ? ? #======================================================================= # 11. STRUCTURE-FACTOR LIST loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_observed_status -3 -1 11 2812.89 3390.64 144.96 o -1 -1 5 2153.32 2365.48 76.35 o -3 -2 10 2529.61 2755.80 115.39 o -2 -2 9 1723.04 2065.04 92.00 o -4 0 14 3430.68 3394.89 150.30 o -2 -2 12 1986.69 2034.01 130.74 o -2 -1 7 1321.69 1787.47 72.56 o -4 -2 14 3544.53 4287.98 283.52 o -3 -3 12 2603.01 2542.90 192.21 o -2 -2 8 1069.29 1059.09 66.04 o -4 -3 13 3143.28 2538.22 212.12 o -3 -3 17 5617.31 7701.90 563.28 o -3 -1 10 1404.55 1590.90 116.17 o -3 -1 9 1001.78 1303.88 84.27 o -3 -3 13 1604.02 2108.94 173.15 o -3 -1 17 2834.22 3622.35 273.95 o -5 -1 17 4254.75 5351.79 364.69 o -1 -1 6 506.35 616.76 45.32 o -2 -1 13 1141.49 1040.11 133.28 o -2 -1 5 504.57 569.26 44.63 o -6 -2 20 5743.07 6058.22 675.56 o -1 -1 4 469.96 531.54 39.17 o -1 -1 7 254.35 310.20 41.58 o -4 -1 17 1774.03 1843.66 360.22 o -3 -1 14 816.14 629.26 177.93 o -4 -2 20 3609.09 3243.64 546.97 o -3 -3 19 3320.16 3102.80 437.37 o -3 -2 12 519.92 739.44 112.23 o -2 -2 15 1011.90 1240.63 148.53 o -3 -3 15 1572.85 1397.35 250.91 o -2 -1 14 503.55 600.15 119.20 o -4 -1 18 2041.70 1801.63 330.20 o -3 -2 14 808.70 814.13 165.59 o -2 -2 16 1069.51 1308.04 241.58 o -2 -1 6 357.14 350.52 39.23 o -4 -2 12 746.29 738.46 130.81 o -2 -2 10 446.26 458.67 104.39 o -3 -2 16 1232.42 892.61 218.19 o -2 -1 11 492.39 512.52 74.61 o -4 -1 14 910.07 1090.22 151.90 o -5 -2 14 907.84 640.03 202.88 o -5 -5 21 6786.22 5205.59 921.72 o -2 -2 14 498.25 832.90 112.64 o -4 -1 13 564.73 563.00 149.45 o -7 -3 21 4470.60 4370.14 771.62 o -4 -1 16 1116.95 860.78 330.00 < -3 -3 23 3513.92 2565.43 783.74 o -3 -2 15 505.52 460.31 185.04 < -5 -5 19 2870.26 2205.02 535.04 o -6 -2 22 4013.28 5787.99 839.44 o -5 -1 23 2810.07 3060.61 1111.44 < -5 -3 16 1554.43 1294.65 274.98 o -2 -1 17 921.13 1010.96 346.46 < -4 -3 16 1275.69 1122.46 262.97 o -4 -3 17 909.79 677.11 290.65 < -4 -1 20 1225.47 923.57 391.10 < -2 -1 15 81.89 121.55 97.43 < -4 -1 19 1239.73 1346.08 315.59 o -4 -2 22 1376.92 2115.28 583.51 o -2 -1 9 134.78 272.17 60.69 o -7 -3 22 2541.47 3577.27 878.97 o -3 -4 17 759.16 529.35 276.32 < -8 0 28 4996.29 3928.51 1707.04 < -2 -1 16 815.82 670.52 147.22 o -3 -1 12 315.59 292.73 106.95 < -4 -3 23 3742.67 3443.02 853.73 o -6 -4 22 1718.27 2413.92 849.87 < -5 -3 26 3318.75 3162.67 1291.13 < -3 -2 9 123.40 122.75 64.12 < -8 -2 28 5829.45 6086.71 2115.50 < -4 -3 14 560.59 543.59 171.88 o -3 -3 25 2459.03 1903.09 857.10 < -4 -3 29 4251.21 4028.54 1803.39 < -6 -2 28 4204.59 5336.62 1621.45 o -4 -4 16 653.35 488.05 267.33 < -2 -1 10 72.70 114.60 63.92 < -4 -4 22 755.25 757.75 708.51 < -4 -2 11 504.58 614.60 113.81 o -5 -5 22 1890.05 1504.33 932.60 < -3 -4 19 1011.96 891.53 420.19 < -4 -4 19 935.56 441.87 407.60 < -5 -3 18 588.94 1548.77 472.22 o -6 -2 26 2282.71 1634.02 1254.85 < -7 -5 22 2129.42 2187.09 1050.26 < -6 0 22 1619.15 715.33 531.20 < -3 -3 21 843.09 878.79 513.31 < -3 -2 26 2847.48 4027.09 1357.93 < -4 -3 22 829.63 1176.50 694.58 < -5 -1 21 1150.62 501.10 446.04 < -7 -7 27 4419.43 6698.81 2556.44 < -4 -2 28 2313.63 2886.24 1584.53 < -7 -3 27 2076.27 1972.65 1762.57 < -5 -1 22 1606.23 1290.99 580.72 < -5 -7 27 4130.41 3889.76 1802.48 < -3 -3 22 1772.47 1863.14 945.07 < -5 -2 16 613.29 435.12 284.38 < -5 -5 26 1674.63 3618.96 1750.62 < -4 -5 27 1928.10 2563.19 1407.27 < -6 -1 22 743.79 867.86 587.42 < -5 -5 27 2416.31 2763.63 1618.63 < -4 -5 22 399.48 1023.45 767.13 < -9 -1 31 1021.96 4097.88 2699.04 < -13 -7 37 18.05 6474.17 5386.35 < 0 -2 6 5528.29 8018.12 98.41 o 0 -2 12 8590.62 12567.70 204.20 o 1 -1 11 4957.00 4979.81 135.40 o -1 -2 8 2579.09 3592.86 91.77 o 0 -2 5 1160.39 1137.84 32.39 o -1 -3 11 2399.20 3761.12 152.14 o 0 -2 14 4282.47 5797.79 232.59 o 0 -2 7 956.06 1547.10 68.74 o 0 -2 18 7825.22 9692.09 551.05 o 0 -4 12 3349.13 3725.31 206.81 o 0 -2 11 871.25 1320.35 120.24 o 0 -2 20 5172.26 7223.79 850.24 o -1 -3 13 841.23 1344.86 198.68 o -1 -3 14 1026.56 1444.32 180.37 o -1 -2 14 1429.43 1844.61 179.29 o -2 -4 18 3457.47 3106.10 446.57 o 0 -4 11 1188.90 968.18 140.21 o 0 -2 10 335.02 345.97 103.42 o 1 -1 12 702.14 659.28 111.10 o -1 -2 10 342.19 423.71 90.89 o 1 -2 14 1429.43 1369.32 173.05 o 0 -4 15 2433.25 2533.85 379.04 o -1 -2 12 641.74 868.89 107.58 o -1 -3 17 1892.74 2320.38 359.77 o -1 -3 12 752.41 733.13 127.62 o -1 -4 15 1714.48 2471.16 412.86 o 0 -2 8 260.22 277.71 49.95 o 1 -2 12 641.74 495.86 124.19 o -1 -5 14 1289.34 1199.37 400.70 < -1 -5 19 3659.45 4597.33 779.31 o -2 -4 14 933.97 993.08 207.50 o -2 -6 18 4382.80 3908.03 703.27 o 1 -3 13 841.23 1232.55 226.80 o 0 -4 19 3273.83 3351.12 824.14 o -1 -2 13 342.33 620.49 109.20 o 1 -5 19 3659.44 7373.90 1402.75 o 0 -4 18 2504.99 2687.47 630.76 o -1 -3 18 868.36 1309.15 389.50 o 1 -3 17 1892.74 2358.70 492.21 o 1 -2 13 342.32 549.01 170.40 o -2 -4 23 3370.50 2693.32 855.90 o -1 -3 19 1275.65 1682.13 429.22 o 0 -4 25 6346.84 7777.34 1800.42 o -2 -4 29 5058.85 2772.02 1701.56 < 0 -1 5 0.00 60.03 20.46 < -1 -3 15 462.10 658.50 234.56 < -1 -4 17 1014.13 1372.14 482.35 < -1 -2 17 638.19 787.25 256.63 o 1 -4 15 1714.48 1485.22 461.28 o -1 -5 17 1591.45 1787.61 570.57 o -1 -3 31 5546.40 7088.18 2527.80 < -1 -3 23 1740.96 2711.45 829.23 o 0 -6 19 1531.57 2066.12 1036.71 < 0 -1 3 0.00 40.93 17.28 < 1 -1 13 752.13 736.56 197.39 o -1 -5 25 2059.49 4123.66 2317.73 < 1 -3 18 868.36 1350.66 704.50 < -2 -4 19 1489.63 1207.64 471.62 < 0 -6 23 4974.42 5419.05 1808.64 < -1 -4 19 829.64 1239.11 522.64 < 0 -6 24 4108.53 2685.66 1816.02 < 0 -8 24 7111.10 5479.78 3023.96 < -2 -4 15 273.41 231.89 172.21 < -1 -6 17 1394.57 1021.76 711.90 < 0 -6 18 2969.48 2548.02 984.02 < -2 -6 24 4683.62 4830.13 1626.08 < 0 -2 24 3286.47 3045.52 986.96 o -1 -8 29 120.21 6353.99 3793.48 < 1 -3 19 1275.66 2691.60 761.93 o -3 -4 40 177.72 12345.80 5986.63 < -2 -6 19 1955.35 1329.74 780.94 < 0 -3 11 0.00 206.92 105.50 < -3 -6 21 1781.30 974.91 768.97 < 1 -5 17 1591.46 1221.38 674.74 < 0 -2 23 2156.94 2154.94 955.72 < -1 -2 7 34.50 38.74 29.17 < -2 -4 24 2433.51 1815.24 964.07 < -2 -5 30 336.07 2135.44 1917.53 < -2 -4 21 854.66 1488.30 617.84 < 0 -6 29 6645.22 4386.27 3668.40 < -1 -3 29 1590.12 2790.82 1815.74 < -1 -6 19 1555.04 1341.88 834.97 < 1 -3 31 5546.41 8456.76 4707.23 < -4 -8 30 2334.76 5377.05 3038.69 < 1 0 4 2008.78 1532.76 25.60 o 1 -1 5 2153.32 2647.32 50.20 o 1 -2 8 2579.09 3296.23 106.00 o 1 -1 4 469.96 677.42 28.97 o 1 -3 5 2851.03 3102.67 146.38 o 1 -3 8 2799.79 3353.44 171.19 o 1 -1 6 506.35 627.02 40.45 o 1 -2 6 797.03 1047.45 55.56 o 1 -3 7 1385.45 1194.95 78.44 o 2 0 6 4621.76 3256.08 243.46 o 2 -2 6 8119.12 7508.34 477.18 o 1 -1 7 254.35 293.31 28.33 o 2 -2 12 1986.69 2140.98 304.94 o 1 -2 5 189.65 136.75 35.55 o 2 -1 7 1321.69 1399.85 184.58 o 2 -2 9 1723.04 1752.31 291.67 o 2 -3 11 2347.66 3527.35 608.84 o 2 0 8 701.18 199.27 120.38 < 1 -5 7 2425.40 3024.54 469.99 o 1 -5 8 2775.34 2937.57 461.32 o 2 -2 8 1069.29 1550.25 285.14 o 1 -7 13 3165.27 4257.06 1033.37 o 3 -3 17 5617.31 4755.42 1342.24 o 2 -4 13 2778.95 1967.74 635.67 o 2 -4 12 3366.03 2531.25 649.50 o 2 -1 11 492.39 323.41 177.65 < 1 -5 12 1342.90 1371.15 369.35 o 2 -4 11 1545.60 1362.04 535.15 < 2 -6 18 4382.81 6474.23 1831.60 o 1 -5 11 1270.20 1167.67 411.72 < 3 -1 17 2834.22 3134.13 1228.03 < 2 -1 9 134.78 243.88 141.96 < 2 -1 13 1141.49 530.53 285.56 < 0 -1 1 0.00 5.00 4.09 < 1 -6 13 871.70 1530.25 727.11 < 3 -2 14 808.70 1576.63 862.51 < -2 2 0 12482.80 10662.50 101.64 o -3 0 -2 2320.89 2602.60 41.94 o -1 1 -1 548.39 787.86 17.21 o -2 0 -2 880.65 1041.92 28.03 o -3 1 -3 3469.82 4056.13 135.36 o -2 1 -1 909.77 1175.40 32.82 o -4 1 -2 1867.42 1350.52 65.81 o -5 1 -3 5091.80 3651.49 261.85 o -2 1 -2 571.22 738.25 38.57 o -3 1 -2 744.99 839.07 56.09 o -3 2 -2 996.23 950.66 75.59 o -5 3 -3 8850.01 8248.64 665.27 o -4 3 -1 1416.28 1441.84 184.64 o -2 2 -1 273.50 137.44 36.53 o -5 3 -1 1775.26 1458.39 194.33 o -2 2 -2 1115.63 1443.62 155.52 o -3 2 -1 349.52 208.83 42.95 o -4 -1 -5 2184.21 2123.62 400.06 o -7 3 -3 3370.86 2302.31 814.68 < -6 4 -1 2173.49 2589.31 485.32 o -2 4 0 2020.72 1616.63 356.05 o -5 2 -2 931.73 667.90 163.55 o -4 1 -4 1315.80 1544.39 302.76 o -5 -1 -6 2044.85 2826.26 628.61 o -8 2 -4 2553.52 1438.57 865.97 < -6 0 -4 1163.37 811.44 327.95 < -5 2 -4 1182.16 1307.94 508.32 < -6 4 -2 2143.95 1302.62 545.42 < -4 2 -2 318.04 205.05 92.96 < -4 4 -1 1075.78 987.85 383.56 < -5 3 -2 941.01 781.30 268.19 < -4 4 0 791.57 700.11 186.54 o -5 4 -2 759.92 545.58 424.90 < -6 4 -4 2053.73 2194.80 1474.44 < -7 2 -5 153.60 1528.72 1009.29 < -5 1 3 5091.80 5428.09 137.57 o -7 1 3 11205.40 10380.50 274.34 o -2 1 0 1117.14 1233.32 36.70 o -4 1 2 1867.42 2274.48 81.16 o -4 2 0 1761.26 1608.08 85.52 o -5 3 3 8850.01 4981.67 216.35 o -4 1 0 1289.42 1308.38 74.39 o -4 1 -1 1069.15 724.89 56.97 o -4 1 1 1069.15 1089.44 72.38 o -3 1 1 655.15 781.09 54.18 o -6 1 0 1673.17 1553.69 163.45 o -3 1 2 744.99 723.88 51.22 o -5 2 4 1182.16 1330.18 120.59 o -9 1 3 6980.96 6679.57 617.10 o -5 3 1 1775.26 1331.38 148.14 o -2 1 1 909.77 664.73 49.46 o -4 3 1 1416.28 1199.94 116.39 o -8 2 2 4677.59 5848.73 497.19 o -6 1 2 1089.08 999.42 138.89 o -7 3 3 3370.86 2699.60 369.22 o -5 2 2 931.73 926.15 126.11 o -8 2 4 2553.52 2160.11 286.91 o -4 2 1 426.58 376.05 64.74 o -6 3 5 1425.36 1075.93 210.21 o -5 3 2 941.01 735.64 144.19 o -8 4 5 5975.36 3859.09 688.29 o -3 2 1 349.52 289.72 38.23 o -6 4 1 2173.49 1578.40 330.53 o -6 2 1 645.39 685.18 151.86 o -6 4 2 2143.95 1535.71 259.47 o -8 2 -2 4677.59 3486.43 624.63 o -5 1 1 330.23 561.66 102.99 o -9 3 3 4276.19 4032.04 758.95 o -5 1 -1 330.23 254.65 107.70 < -8 2 0 2547.34 2343.75 489.95 o -7 3 6 1127.93 1221.02 236.96 o -4 2 2 318.05 314.77 104.62 o -6 2 -1 645.39 658.39 177.03 o -6 3 2 642.49 602.17 198.29 o -12 2 6 4303.15 5312.56 1434.46 o -6 3 4 545.04 499.98 167.27 < -7 2 1 415.06 312.74 280.83 < -10 2 5 1799.20 1797.84 740.26 < -12 2 0 6349.44 8134.69 2420.44 o -10 3 5 1516.49 1132.78 818.19 < -8 2 -1 968.96 1762.30 581.81 o -6 1 1 307.66 246.44 142.84 < -11 2 4 1591.29 2363.81 1438.36 < -13 3 -2 669.85 3861.76 3195.69 < -7 3 1 464.96 1107.31 307.13 o -8 1 0 224.65 760.61 324.55 < -6 2 2 409.67 440.76 172.19 < -8 4 2 889.74 1797.57 578.52 o -9 6 3 2823.51 4484.05 1410.54 o -7 1 2 272.51 532.38 195.08 < -14 2 0 6152.92 6838.02 3942.94 < -11 3 1 1640.55 2769.16 1640.07 < -8 4 1 1269.80 1174.06 753.97 < -8 2 3 429.96 998.63 320.87 o -9 4 -1 2290.62 2247.37 1494.29 < -14 4 0 2290.95 5462.35 4659.96 < -7 4 5 389.85 517.61 286.60 < -11 1 -3 2115.74 2353.71 1511.12 < -3 1 0 0.00 64.58 25.01 < -5 1 9 4455.10 5190.12 181.77 o -3 0 2 2320.89 2573.92 51.35 o -4 0 6 2713.37 3449.02 117.23 o -7 1 9 6734.58 6612.93 256.37 o -7 -1 9 6734.57 5794.18 265.36 o -4 1 5 2184.21 2554.49 97.62 o -6 0 8 3842.43 3962.21 196.56 o -4 1 4 1315.80 1461.68 65.73 o -5 1 6 2044.85 2325.38 127.84 o -8 0 14 10433.10 10836.50 549.03 o -6 2 8 2568.30 2539.76 174.63 o -5 0 8 1912.50 2285.54 142.98 o -5 1 4 972.67 924.10 78.02 o -6 0 4 1163.38 1173.77 101.68 o -8 2 8 3337.90 2941.36 348.89 o -5 1 10 1245.83 1301.14 92.04 o -9 -1 9 4625.58 4969.73 476.93 o -8 0 8 2640.08 2964.54 294.03 o -3 0 4 533.50 633.38 50.98 o -5 0 4 731.92 709.08 73.19 o -5 -1 7 539.74 568.96 78.80 o -2 0 2 880.65 870.82 59.25 o -5 1 8 1075.12 995.54 125.81 o -9 1 9 4625.58 4983.32 535.08 o -6 0 6 848.36 994.11 116.90 o -9 0 10 3888.13 4109.64 442.51 o -8 2 9 2043.07 1980.61 447.37 o -5 1 7 539.74 719.26 102.62 o -4 1 7 466.98 403.19 71.34 o -7 0 6 1081.53 1244.62 157.71 o -7 -1 8 1053.24 1063.67 152.42 o -10 -2 14 5788.32 5471.93 838.23 o -9 3 9 3434.82 3411.31 594.29 o -6 1 7 752.64 961.31 182.93 o -7 -1 11 1113.52 1459.19 223.87 o -7 1 8 1053.24 925.21 225.08 o -7 -1 10 1096.79 1078.15 223.20 o -7 2 8 1184.84 945.29 221.83 o -10 0 8 2854.68 2113.55 515.61 o -9 2 8 2562.50 2727.83 455.79 o -10 2 14 5788.32 4545.19 946.35 o -3 1 4 257.68 244.63 34.68 o -7 1 11 1113.52 659.92 256.43 < -9 0 6 1286.13 1124.17 292.15 o -8 2 7 1195.72 858.98 307.57 < -9 -1 11 1630.61 1257.54 408.56 o -7 0 12 1152.47 1316.39 331.47 o -8 2 14 1390.78 1992.39 459.32 o -7 0 10 1299.77 1035.59 228.93 o -4 1 6 200.10 256.70 62.68 o -9 0 12 1141.09 631.70 425.58 < -7 1 13 912.98 392.55 251.45 < -5 1 5 124.63 114.58 70.30 < -9 1 7 350.04 533.52 347.63 < -7 1 7 567.19 666.85 182.28 o -10 2 20 6021.45 6806.87 1339.88 o -10 3 11 1611.10 1959.88 717.01 < -9 2 14 1577.25 2335.27 594.85 o -11 -1 11 2816.23 2924.27 759.69 o -6 1 6 478.52 459.82 128.03 o -11 0 8 3118.05 1952.75 709.67 < -8 2 15 1207.74 1024.70 427.07 < -11 1 11 2816.23 2710.84 945.72 < -11 1 17 4267.04 4552.54 1869.55 < -11 -1 17 4267.04 4663.61 1110.72 o -6 1 12 224.55 242.68 140.11 < -10 2 8 1398.84 1085.63 602.67 < -12 0 12 2940.16 3178.12 1279.41 < -11 2 10 2491.09 2361.74 920.69 < -9 2 12 916.12 1386.64 594.80 < -10 2 16 2555.37 2436.38 875.33 < -13 3 11 2971.27 4291.67 1811.88 < -9 0 16 1303.07 2032.00 536.50 o -7 0 8 599.51 489.19 194.94 < -15 1 11 3335.19 3518.72 2378.23 < -11 1 9 1507.99 2092.69 794.13 < -13 3 17 5574.17 5641.18 3011.27 < -10 2 12 1114.12 1057.59 699.88 < -13 -1 17 2523.89 2349.44 1856.66 < -14 0 12 3593.48 2771.07 2035.53 < -8 3 11 542.92 541.50 384.11 < -12 3 13 1396.51 1942.02 1462.67 < -15 1 17 4627.42 7400.10 3512.66 < -4 0 3 0.00 80.49 41.84 < -12 0 14 4096.35 3050.99 1524.11 < -13 -1 11 2734.12 1856.63 1360.46 < -12 2 25 911.30 2872.73 2198.67 < -13 3 23 3498.43 2730.90 2446.40 < -3 0 3 0.00 49.57 29.56 < -1 -3 5 2851.03 3152.59 67.39 o -2 -3 5 1937.34 2149.23 53.63 o -2 -4 5 2172.98 2258.48 87.54 o -2 -4 6 2474.64 2380.03 95.14 o -1 -3 7 1385.45 1764.05 59.72 o -3 -5 7 2928.19 3139.26 147.37 o -1 -5 8 2775.34 2524.45 149.99 o -1 -2 3 722.73 745.88 35.18 o -2 -5 7 1950.99 1800.68 126.77 o -1 -3 4 642.59 748.09 36.33 o -2 -4 7 1193.50 1152.35 86.39 o -2 -4 11 1545.60 1686.30 118.04 o -2 -6 9 2514.70 2905.89 250.37 o -1 -2 2 816.90 293.72 22.29 o -4 -6 10 2423.19 2126.60 289.38 o -3 -5 8 1316.31 1259.42 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3178.33 5945.94 1072.06 o 4 -5 1 329.43 214.20 97.13 < 6 -10 4 3653.09 4676.77 1097.58 o 8 -8 5 1744.90 2131.63 615.20 o 5 -9 7 2705.49 2087.95 550.89 o 5 -9 6 979.11 2320.07 611.00 o 7 -9 8 2263.77 2651.44 841.70 o 6 -9 2 1029.41 1825.04 576.57 o 4 -5 4 239.91 313.06 132.49 < 9 -9 7 2518.15 2859.19 1163.75 < 7 -9 7 2713.30 2554.83 755.33 o 5 -8 3 585.63 876.52 327.17 < 5 -7 8 405.54 564.77 226.01 < 5 -7 6 791.51 1162.02 276.94 o 5 -6 8 425.72 462.27 179.37 < 6 -7 6 734.19 1091.85 343.80 o 8 -10 10 3337.07 4232.37 1167.73 o 6 -7 5 930.44 1041.19 390.19 < 7 -9 2 1276.38 1568.83 741.82 < 1 -2 1 500.25 114.69 43.69 < 3 -6 4 275.95 232.01 105.55 < 5 -6 2 350.21 273.88 153.52 < 6 -8 7 1012.56 1360.17 584.17 < 2 -3 3 117.06 154.14 48.97 o 7 -13 8 2107.21 5198.59 2126.81 < 4 -5 2 160.05 271.20 91.76 < 4 -7 6 411.42 322.27 254.96 < 3 -4 1 103.46 132.09 65.28 < 7 -8 6 381.92 497.14 478.30 < 5 -6 4 250.82 197.88 165.24 < 5 -5 5 40.16 160.72 121.05 < 10 -10 10 2106.06 4159.57 1788.68 < 11 -10 8 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2297.50 316.77 o 2 -3 -2 511.72 700.76 113.83 o 3 -5 -3 1713.30 1990.11 355.57 o 6 -6 -4 3646.73 3523.51 1046.29 o 6 -6 -5 3722.48 3088.34 1206.11 < 2 -2 -3 360.75 433.99 89.97 o 4 -4 -2 994.35 1364.02 279.17 o 3 -3 -2 754.73 1046.82 153.63 o 4 -6 -4 2392.08 2435.23 717.90 o 2 -3 -1 460.09 478.14 114.61 o 8 -8 -4 6209.08 6314.49 2329.45 < 4 -4 -5 1101.82 1695.37 433.90 o 2 -3 -3 117.06 222.55 81.72 < 8 -6 -4 2210.36 2185.90 1304.21 < 3 -6 -5 592.13 736.69 533.41 < 10 -8 -11 11.85 8247.49 6792.05 < 1 -1 -1 548.39 147.24 80.74 < 5 -7 -7 3382.73 5036.73 1679.49 < 10 -12 -8 551.31 9469.43 8493.54 < 1 -2 -1 500.25 75.34 47.09 < 8 -15 -7 4.40 12809.50 11192.90 < 1 -3 -5 2851.02 1303.23 221.90 o -1 -4 1 1825.05 1598.89 271.74 o 0 -2 -2 1226.59 1258.82 78.79 o 0 -12 -1 1925.52 8783.48 8478.21 < 0 -4 6 5366.37 6815.60 343.18 o 1 -5 8 2775.34 3472.03 470.27 o 1 -5 7 2425.40 4058.22 441.31 o 0 -4 3 1075.67 1765.65 219.15 o 0 -6 7 2861.30 3128.32 788.71 o 1 -4 5 842.96 868.57 201.95 o 0 -6 4 1711.65 2519.22 498.58 o 1 -5 4 1490.48 1465.05 288.00 o 1 -7 7 4857.98 5564.00 984.30 o 0 -6 6 2100.43 2760.17 591.46 o 1 -5 5 915.06 979.38 284.11 o 1 -4 4 447.80 669.00 169.46 o 0 -8 16 3760.36 5138.73 3047.31 < 0 -5 4 0.00 285.89 166.33 < 0 -4 7 685.30 715.30 252.46 < 1 -9 13 3843.45 5826.06 2659.50 < 1 -9 7 3851.02 4801.27 1575.28 o 1 -4 3 590.07 192.45 108.70 < 1 -7 5 1561.72 2079.93 672.87 o 0 -3 3 0.00 110.89 74.50 < 0 -8 5 1423.47 1796.47 1025.31 < 0 -13 20 0.00 24447.70 13124.80 < 0 -2 3 22.84 57.42 48.72 < 0 -2 2 1226.59 141.49 67.48 < 3 -5 1 5381.40 6342.35 367.48 o 4 -5 5 3265.13 5030.08 692.58 o 3 -5 5 2793.27 3436.25 479.04 o 4 -6 4 2392.08 2246.72 618.17 o 3 -5 3 1713.30 2427.23 358.71 o 6 -6 4 3646.73 5113.96 705.37 o 5 -7 7 3382.72 3680.63 921.98 o 3 -5 2 1476.76 1648.60 304.49 o 3 -4 2 1117.83 1553.08 305.46 o 3 -4 3 1420.38 1610.73 369.52 o 3 -4 4 629.52 548.33 250.56 < 3 -3 2 754.73 972.69 199.53 o 2 -3 1 460.09 553.23 211.80 < 2 -3 2 511.73 537.32 232.40 < 4 -7 7 1911.22 1902.88 771.77 < 4 -8 4 2623.85 1922.99 1024.07 < 14 -17 10 85.32 43222.50 32117.10 < 14 -14 9 340.74 14868.00 13867.60 < 6 -11 3 26.28 5317.82 3172.67 < 7 -13 8 2107.21 10841.00 7299.21 < 12 -18 15 26.07 21074.60 20534.00 < 1 -3 -1 2420.09 2874.12 176.99 o 1 -3 1 2420.09 2660.14 152.13 o 1 -5 2 2922.34 3295.17 254.18 o 1 -4 1 1825.05 2844.49 259.61 o 2 -4 0 2020.72 2105.54 238.54 o 1 -4 -1 1825.05 2083.68 238.40 o 1 -5 1 1190.23 1030.48 175.59 o 1 -7 1 4186.49 4331.34 749.72 o 2 -8 2 2734.20 2247.18 1032.15 < 2 -7 0 1542.65 1370.11 548.40 < 1 -6 1 830.75 889.71 388.05 < 4 -9 0 3733.84 6221.18 2333.16 < 3 -7 -1 503.62 841.72 446.95 < 8 -17 -1 1.49 13658.50 10068.40 < 2 -5 0 468.06 259.11 222.35 < 2 -5 -1 612.82 211.74 208.24 < 3 -9 1 3096.45 3078.40 1213.13 < 2 -8 -2 2734.20 4209.40 1288.88 o 7 -18 6 11.64 13322.40 12702.10 < 5 -11 -1 843.30 4881.86 2778.48 < 3 1 -11 2812.89 3169.13 132.19 o 1 1 -5 2153.32 2889.90 76.42 o 3 2 -10 2529.61 2412.71 98.57 o 2 2 -9 1723.04 2118.92 104.79 o 4 0 -14 3430.68 3730.46 149.65 o 4 2 -14 3544.53 3559.10 198.00 o 2 1 -7 1321.69 1774.15 66.66 o 2 2 -12 1986.69 2220.43 125.23 o 3 3 -12 2603.01 1987.52 132.16 o 3 3 -17 5617.31 7786.05 470.92 o 3 1 -10 1404.55 1570.69 100.11 o 4 3 -13 3143.28 2341.06 159.09 o 5 1 -15 2896.07 3626.52 266.59 o 5 1 -17 4254.75 3874.47 295.20 o 2 2 -8 1069.29 777.47 62.33 o 3 1 -9 1001.78 1290.58 78.52 o 3 1 -17 2834.22 3149.15 217.24 o 2 1 -13 1141.49 1172.86 135.03 o 1 1 -6 506.35 709.46 34.25 o 3 3 -13 1604.02 1333.93 113.80 o 3 3 -15 1572.85 1423.49 222.12 o 2 1 -5 504.57 438.86 36.08 o 1 1 -4 469.96 360.72 31.11 o 6 2 -20 5743.07 6252.58 547.82 o 2 2 -10 446.26 576.59 82.26 o 4 2 -20 3609.09 4417.72 433.62 o 2 1 -11 492.39 565.98 63.70 o 3 3 -19 3320.16 3332.16 384.35 o 3 2 -16 1232.42 1267.36 181.60 o 4 1 -14 910.07 1129.14 131.76 o 4 1 -17 1774.03 1006.15 290.84 o 2 1 -6 357.14 405.12 41.26 o 3 2 -12 519.92 717.63 92.52 o 4 1 -12 761.20 690.08 108.73 o 4 2 -11 504.58 428.61 103.96 o 2 2 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< 11 4 -37 188.50 4342.37 4257.17 < 4 2 -26 1845.45 1992.41 827.33 < 4 4 -19 935.56 567.12 311.20 < 6 1 -23 897.32 987.68 579.94 < 4 3 -29 4251.21 2807.03 1492.70 < 8 4 -28 2068.53 2415.43 1793.39 < 6 2 -34 3928.34 2817.34 2812.03 < 4 2 -34 2582.57 3366.89 1875.24 < 4 4 -28 992.22 1795.77 1034.73 < 6 4 -31 140.71 2618.46 1658.69 < 11 5 -31 10.09 3421.94 3131.35 < 13 5 -33 1521.69 3669.63 3588.99 < 0 2 -6 5528.29 7026.17 74.57 o 0 2 -12 8590.62 12610.70 204.98 o 1 2 -8 2579.09 3558.28 96.11 o 0 2 -14 4282.47 6018.13 257.71 o 0 2 -7 956.06 1426.54 70.98 o 0 2 -13 1833.22 2363.92 154.58 o 1 3 -11 2399.20 2400.79 141.71 o 0 2 -18 7825.22 9695.22 378.07 o 1 2 -14 1429.43 1862.87 135.52 o 0 2 -11 871.25 954.27 112.99 o 0 4 -12 3349.13 2590.14 204.32 o 1 1 -13 752.13 1182.39 139.60 o 1 1 -12 702.14 742.51 72.26 o 1 2 -12 641.74 932.16 115.81 o 2 4 -13 2778.94 1758.33 149.81 o 1 3 -14 1026.56 1676.71 198.51 o 1 3 -13 841.23 1013.63 138.01 o -1 1 -12 702.14 772.76 99.63 o 0 2 -20 5172.26 4467.13 563.42 o 0 4 -11 1188.90 1006.86 147.69 o 1 3 -12 752.41 618.63 108.81 o 0 2 -8 260.22 528.55 61.51 o 0 2 -10 335.02 468.72 65.23 o -1 2 -14 1429.44 1574.26 172.60 o 2 4 -18 3457.47 2238.02 408.96 o 1 2 -10 342.19 569.84 74.56 o -1 2 -12 641.74 579.60 98.36 o 1 3 -17 1892.74 2273.97 409.26 o 1 4 -15 1714.48 1716.85 265.21 o -1 3 -14 1026.57 1415.16 254.21 o 1 5 -13 3866.94 1371.76 167.10 o 0 4 -15 2433.25 2479.52 305.28 o -1 3 -17 1892.74 2563.00 525.63 o 0 4 -19 3273.83 3052.89 501.34 o 2 4 -14 933.97 646.40 176.12 o 1 5 -19 3659.45 3612.62 631.41 o 1 2 -13 342.33 89.37 82.55 < 0 4 -18 2504.99 2198.45 369.76 o 1 3 -19 1275.65 2082.82 538.70 o -1 4 -15 1714.48 1705.66 376.93 o 1 4 -17 1014.13 1182.24 323.67 o 2 6 -18 4382.80 3793.15 803.01 o -1 5 -19 3659.44 4641.15 1050.81 o 2 4 -23 3370.50 3061.49 934.02 o 1 2 -17 638.19 605.84 252.40 < 1 5 -14 1289.34 520.89 233.53 < 0 6 -18 2969.48 3199.23 796.40 o 1 4 -21 1566.13 2275.39 688.71 o 0 2 -24 3286.46 3396.15 1178.30 < 1 3 -18 868.36 962.27 340.18 < -1 2 -13 342.32 314.51 115.91 < 2 3 -19 713.14 525.62 301.38 < 0 6 -23 4974.42 5443.32 1998.75 < 0 4 -25 6346.84 4294.86 1641.64 < 0 8 -24 7111.10 4193.38 2671.34 < 0 4 -17 756.74 772.64 457.54 < 2 4 -24 2433.51 2671.66 997.90 < 2 4 -19 1489.63 1168.61 426.43 < 2 6 -25 3653.32 2949.22 1605.50 < 0 2 -23 2156.94 3006.48 733.64 o 2 6 -24 4683.62 4549.36 1472.16 o 2 4 -29 5058.85 5901.04 1970.05 < 0 3 -9 0.00 50.13 48.62 < 0 4 -24 3002.88 4035.83 1155.47 o 0 1 -5 0.00 47.49 14.70 o 1 5 -18 999.73 1124.26 523.95 < 1 2 -19 681.55 902.07 314.93 < 0 6 -30 4655.21 5738.34 3844.09 < -1 3 -19 1275.66 1079.15 505.57 < 4 8 -30 2334.76 4141.04 2450.04 < 0 6 -24 4108.53 3468.17 2131.17 < 3 7 -27 2041.15 2503.52 1708.30 < -1 3 -25 3095.32 4096.19 1369.05 < -1 3 -23 1740.98 1821.28 987.52 < 1 6 -17 1394.57 1381.03 634.92 < 0 1 -3 0.00 32.41 13.57 < 1 3 -23 1740.96 2400.45 715.63 o 3 6 -21 1781.30 1063.65 695.86 < -1 4 -17 1014.14 732.70 471.73 < -1 5 -17 1591.46 1089.58 562.17 < 0 6 -29 6645.22 5341.70 3048.99 < 2 3 -25 1599.40 1189.60 785.38 < -1 3 -31 5546.41 6238.54 3119.27 < 0 1 -6 0.00 20.73 15.08 < 1 4 -13 350.21 236.18 126.59 < 1 3 -25 3095.31 2306.48 1167.46 < 3 7 -23 478.86 1296.68 1137.90 < 2 2 -26 1016.65 1038.91 678.26 < -1 0 -4 2008.78 2820.24 30.72 o -1 1 -5 2153.32 2669.18 41.50 o -1 2 -8 2579.09 3316.14 76.16 o -1 3 -8 2799.80 2784.38 127.21 o -1 1 -4 469.96 593.78 20.57 o -1 1 -6 506.35 685.34 34.65 o -1 2 -6 797.03 844.61 46.42 o -1 3 -5 2851.03 3041.91 141.94 o -1 3 -7 1385.45 1366.60 82.47 o -1 1 -7 254.35 344.86 29.91 o -2 2 -6 8119.12 7971.37 426.39 o -2 2 -9 1723.04 2537.48 277.27 o -2 3 -11 2347.66 3462.92 476.42 o -1 5 -13 3866.94 3558.94 487.11 o -2 2 -12 1986.69 2126.49 251.89 o -1 5 -8 2775.34 3370.74 452.74 o -2 1 -7 1321.69 1227.64 188.90 o -2 0 -6 4621.76 4161.69 285.16 o -1 2 -5 189.65 227.40 40.80 o -2 2 -8 1069.29 1974.14 317.56 o -2 4 -12 3366.03 3975.67 760.14 o -2 0 -8 701.18 693.73 142.83 o -2 1 -13 1141.49 1061.12 255.54 o -3 3 -19 3320.16 2033.19 1155.62 < -1 3 -6 241.45 160.03 74.35 < -1 4 -10 563.44 529.37 190.30 < -1 5 -12 1342.90 1599.91 385.43 o -3 1 -17 2834.21 2267.69 948.11 < -2 2 -14 498.25 691.96 324.10 < -2 4 -13 2778.95 3458.20 874.39 o -2 2 -10 446.26 455.49 181.14 < -2 2 -16 1069.52 1282.05 364.41 o -2 2 -15 1011.90 1124.29 331.58 o -1 5 -11 1270.20 950.27 349.88 < -1 6 -13 871.70 585.22 501.84 < -2 6 -13 48.69 1693.08 1100.58 < -2 4 -14 933.96 954.75 554.73 < -1 2 -3 722.73 840.28 98.37 o 2 -2 0 12482.80 11844.80 83.23 o 3 -1 3 3469.82 4744.88 119.67 o 1 -1 1 548.39 806.53 16.21 o 2 0 2 880.65 875.39 23.66 o 2 -1 1 909.77 1122.42 28.82 o 2 -1 2 571.22 732.13 36.17 o 4 -1 2 1867.42 1691.39 73.81 o 5 -1 3 5091.80 4537.14 175.59 o 3 -1 2 744.99 884.10 50.71 o 5 -3 3 8850.01 9175.09 496.23 o 3 -2 2 996.23 1020.93 88.88 o 4 -3 1 1416.28 1679.71 143.96 o 2 -2 1 273.50 378.46 37.09 o 3 -2 1 349.52 380.30 45.83 o 2 -2 2 1115.63 1082.66 96.70 o 4 -1 4 1315.80 908.88 219.55 o 2 -4 0 2020.72 2177.69 257.25 o 5 -2 2 931.73 549.89 125.35 o 4 1 5 2184.21 1532.20 315.75 o 7 -3 3 3370.86 3965.15 761.35 o 4 -4 0 791.57 669.12 154.99 o 4 -2 2 318.04 213.77 75.16 < 3 -5 1 5381.40 5393.58 891.92 o 5 -3 2 941.01 1058.50 269.16 o 8 -4 5 5975.36 5293.66 1572.74 o 4 -1 5 2184.21 2405.26 386.95 o 4 -4 1 1075.78 911.76 202.99 o 6 -4 1 2173.49 2007.69 404.19 o 6 -4 2 2143.95 1913.15 522.08 o 6 -3 5 1425.36 1317.20 992.62 < 7 -5 3 4753.52 5470.88 1304.34 o 4 -5 0 812.19 1014.29 274.43 o 5 0 4 731.92 456.81 175.70 < 8 -2 4 2553.52 1616.74 733.30 < 5 -2 4 1182.16 837.39 369.95 < 7 -5 1 1992.40 1993.42 729.72 < 6 -3 2 642.49 555.39 262.40 < 5 -5 1 200.65 1050.73 628.10 < 6 -1 4 662.87 656.84 291.05 < 5 -3 -3 8850.01 9455.21 185.09 o 7 -1 -3 11205.40 10667.40 282.96 o 2 -1 0 1117.14 1438.24 36.56 o 4 -2 0 1761.26 1874.91 74.07 o 4 -1 -2 1867.42 2187.38 62.49 o 4 -1 0 1289.42 1423.30 64.07 o 4 -1 1 1069.15 1200.93 58.01 o 4 -3 -1 1416.28 1689.50 80.80 o 4 -1 -1 1069.15 1317.98 64.76 o 5 -3 -1 1775.26 1855.33 137.36 o 8 -2 -2 4677.59 4754.77 346.81 o 2 -1 -1 909.77 1143.45 48.83 o 6 -1 0 1673.17 1777.38 162.76 o 7 -3 -3 3370.86 3513.20 273.09 o 3 -1 -2 744.99 900.26 43.31 o 3 -1 -1 655.15 663.99 46.55 o 8 -4 -5 5975.36 7390.67 546.54 o 5 -2 -2 931.73 977.65 103.78 o 5 -2 -4 1182.16 1008.65 92.99 o 3 -2 -1 349.52 388.69 25.58 o 9 -1 -3 6980.96 6712.05 472.25 o 5 -3 -2 941.01 1132.10 110.01 o 6 -1 -2 1089.08 893.55 123.55 o 8 -2 -4 2553.52 2784.81 245.13 o 6 -4 -2 2143.95 2019.43 188.46 o 6 -3 -5 1425.36 1251.95 232.74 o 4 -2 -1 426.58 336.08 55.57 o 6 -4 -1 2173.49 1848.57 271.74 o 5 -1 1 330.23 259.12 82.09 o 8 -2 2 4677.59 4403.99 567.40 o 4 -2 -2 318.05 426.73 65.80 o 6 -2 -1 645.39 749.93 135.35 o 6 -3 -2 642.49 434.38 140.12 o 5 -1 -1 330.23 454.16 92.20 o 9 -3 -3 4276.19 3166.22 709.89 o 6 -2 1 645.39 515.89 168.69 o 7 -3 -6 1127.93 840.42 197.95 o 6 -2 -2 409.67 575.81 148.40 o 8 -2 0 2547.34 2117.27 416.08 o 6 -3 -4 545.04 647.00 155.31 o 12 -2 -6 4303.15 5132.97 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2206.53 894.56 < 11 -8 -3 1633.11 2288.44 1947.40 < 14 -2 0 6152.92 4889.07 2352.71 < 7 -3 -2 99.65 451.38 222.86 < 11 -3 -3 3255.12 4519.91 1755.57 < 8 -6 -2 1040.06 1041.35 683.92 < 11 -3 2 1114.81 1871.45 1119.85 < 3 -1 -3 3469.82 3145.33 68.68 o 5 -1 -9 4455.10 5166.96 137.11 o 7 -1 -9 6734.58 6671.25 235.74 o 4 -1 -5 2184.21 2491.81 76.22 o 4 0 -6 2713.37 3461.53 107.82 o 6 0 -8 3842.43 3647.31 181.76 o 3 0 -2 2320.89 1706.34 52.18 o 5 -1 -6 2044.85 2227.90 107.15 o 4 -1 -4 1315.80 1535.38 54.98 o 7 1 -9 6734.57 4244.25 225.02 o 6 -2 -8 2568.30 2399.88 153.67 o 5 0 -8 1912.50 2132.36 137.20 o 5 -1 -4 972.67 1025.61 89.12 o 5 -1 -10 1245.83 1157.04 101.85 o 6 0 -4 1163.38 902.94 93.95 o 5 -1 -8 1075.12 1114.55 97.26 o 3 0 -4 533.50 537.72 51.19 o 8 -2 -8 3337.90 2680.22 293.39 o 9 -1 -9 4625.58 4422.98 386.04 o 5 0 -4 731.92 688.33 84.30 o 8 0 -8 2640.08 2175.19 262.50 o 2 0 -2 880.65 725.08 48.94 o 6 -1 -7 752.64 812.17 124.95 o 5 -1 -7 539.74 653.45 70.93 o 4 -1 -7 466.98 399.06 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-5 2184.21 1552.47 145.17 o -4 -1 -5 2184.21 2434.86 206.94 o -5 1 -9 4455.10 5590.29 478.65 o -5 1 -6 2044.86 2746.13 295.26 o -5 -1 -6 2044.85 1692.72 270.06 o -7 1 -9 6734.57 5342.70 993.41 o -6 0 -8 3842.44 4451.87 593.32 o -3 0 -4 533.50 616.80 92.39 o -7 -1 -9 6734.58 7058.06 1043.29 o -8 2 -8 3337.90 3656.39 890.61 o -8 0 -8 2640.08 3542.71 982.73 o -5 1 -7 539.74 480.53 247.27 < -5 1 -8 1075.12 889.73 288.91 o -9 1 -9 4625.59 3222.45 1230.60 < -5 0 -8 1912.50 2087.87 327.43 o -5 1 -5 124.63 302.25 222.24 < -5 0 -4 731.92 951.73 213.79 o -6 0 -5 0.00 580.18 271.09 < -8 0 -14 10433.20 4817.21 2872.86 < -9 -1 -9 4625.59 4818.81 2247.24 < -4 1 -7 466.98 443.58 158.06 < -5 1 -10 1245.83 835.41 547.60 < -5 -1 -5 124.63 255.05 176.38 < -8 2 -12 437.73 1701.80 1585.14 < -14 -1 -11 0.85 7230.78 5914.60 < -12 -1 -11 1711.19 5520.13 3920.46 < -4 0 0 4310.91 4409.77 278.14 o -6 0 2 3195.97 3059.06 312.81 o -9 -1 3 6980.96 6812.85 970.98 o -6 0 0 2500.82 2890.82 373.45 o -7 0 4 811.25 1457.13 297.64 o -10 0 0 7573.23 9163.32 1420.89 o -6 -1 0 1673.17 1675.07 285.06 o -5 0 2 1413.65 1332.27 278.30 o -4 0 2 835.38 721.97 126.59 o -6 1 0 1673.17 1687.49 277.11 o -6 -1 2 1089.08 1219.69 300.39 o -5 -1 1 330.23 352.04 172.82 < -10 0 2 3934.01 1883.19 1064.19 < -12 -2 0 6349.43 10482.20 3012.55 o -6 -1 -1 307.66 565.67 206.39 < -10 1 0 288.93 960.45 635.22 < -6 0 1 0.00 430.70 217.89 < -14 0 6 5151.63 5500.67 3819.84 < -12 2 0 6349.44 9675.39 2728.55 o -10 0 -2 3934.01 1682.40 1101.77 < -19 1 7 12.76 11929.50 10551.20 < -14 2 0 6152.92 8507.31 3693.74 < -20 0 -3 0.00 19555.30 13733.20 < -10 0 4 1450.85 1550.74 1066.70 < -15 1 2 3.07 8170.79 4889.81 < -5 0 -1 0.00 333.16 138.08 < -14 -2 6 4879.90 9228.44 4250.83 < -16 0 6 6159.40 11953.20 7265.24 < -4 -1 -2 1867.42 2001.08 145.46 o -4 -2 0 1761.26 2002.43 193.61 o -4 -1 -1 1069.15 1332.87 141.00 o -5 -3 1 1775.26 1917.76 289.98 o -3 -1 -2 744.99 978.81 110.23 o -7 -2 -2 294.01 3646.02 554.97 o -3 -1 -1 655.15 734.92 100.40 o -8 -2 -2 4677.59 4208.58 743.30 o -5 -3 -1 1775.26 2055.06 358.80 o -5 -3 -2 941.01 951.65 304.89 o -5 -2 -2 931.73 937.65 254.32 o -7 -3 -3 3370.86 3285.29 857.37 o -4 -2 -2 318.04 239.62 130.00 < -5 -2 -4 1182.16 1361.26 283.27 o -8 -2 -4 2553.53 2770.25 808.36 o -4 -2 -1 426.59 501.57 156.10 o -9 -3 -3 4276.18 4625.05 1639.32 < -10 -3 -5 1516.49 2518.22 1984.32 < -6 -3 -5 1425.36 1609.03 612.78 < -7 -2 -1 415.06 753.92 406.83 < -12 -5 -5 1929.16 3722.33 3606.84 < -16 -5 -4 140.50 8253.80 7626.69 < -13 -5 -1 5674.90 9232.95 7653.98 < -14 -7 -4 368.16 13719.50 8941.53 < loop_ _twin_refln_datum_id _twin_refln_individual_id _twin_refln_index_h _twin_refln_index_k _twin_refln_index_l _twin_refln_F_squared_calc _twin_refln_F_squared_meas _twin_refln_F_squared_sigma _twin_refln_include_status ? ? ? ? ? ? ? ? ?