############################################################################## ### CIF submission form for Rietveld refinements (IUCr journals) ### ### Version 20 January 2005 ### ############################################################################## # This is an electronic "form" for submitting the results of a Rietveld # refinement of a model against powder diffraction measurements to an # IUCr journal as a Crystallographic Information File (CIF). Full details # of the CIF format are given in the paper "The Crystallographic Information # File (CIF): a New Standard Archive File for Crystallography" by S. R. Hall, # F. H. Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685]. # # The current version of the powder CIF dictionary, which contains definitions # of the terms staring _pd_, may be obtained from # http://www.iucr.org/iucr-top/cif/pd/index.html. Other terms are defined in # the core CIF dictionary at http://www.iucr.org/iucr-top/cif/core/index.html. # # Note that all fields should be numeric or character type EXCEPT those which # are flagged as 'text' - free-form text of any length may be included in # these latter fields provided the text block begins and ends with a semicolon # as the first character of a new line. Note also that the query marks # '?' are significant as placeholders, and should not be deleted where a data # item is not given, UNLESS the accompanying data name is also deleted. # Lines should not exceed 80 characters in length. The comments following # the number sign '#' may be deleted if wished. #============================================================================= data_global #============================================================================== # 1. SUBMISSION DETAILS _publ_contact_author_name ? # Name of author for correspondence _publ_contact_author_address # Address of author for correspondence ; ? ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_contact_letter ; ? ; _publ_requested_journal ? _publ_requested_coeditor_name ? _publ_requested_category ? #============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_data_validation_number ? _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_paper_category ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name # _publ_author_footnote _publ_author_address 'Saul Lapidus' ; Department of Physics & Astronomy Stony Brook University Stony Brook NY 11794-3800 USA ; 'Peter W. Stephens' ; Department of Physics & Astronomy Stony Brook University Stony Brook NY 11794-3800 USA ; #============================================================================== # 4. TEXT (For Acta Cryst. C and E, include the text of your paper in the CIF) _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep # Details of the preparation of the sample(s) # should be given here. ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; ? ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #============================================================================== # If more than one structure is reported, sections 5-10 should be completed # per structure. For each data set, replace the '?' in the data_? line below # by a unique identifier. #============================================================================== data_JLM1-244_2 # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C8 H9 F2 N4 Ni, F6 P' _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_sum 'C8 H9 F8 N4 Ni P ' _chemical_formula_weight 402.85 _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products #============================================================================== # 6. POWDER SPECIMEN AND CRYSTAL DATA _symmetry_cell_setting Monoclinic _symmetry_space_group_name_Hall '-C 2yc' _symmetry_space_group_name_H-M 'C 2/c' _symmetry_Int_Tables_number 15 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 -x,y,1/2-z 3 -x,-y,-z 4 x,-y,1/2+z 5 1/2+x,1/2+y,z 6 1/2-x,1/2+y,1/2-z 7 1/2-x,1/2-y,-z 8 1/2+x,1/2-y,1/2+z _cell_length_a 9.9481(3) _cell_length_b 9.9421(3) _cell_length_c 12.5953(4) _cell_angle_alpha 90 _cell_angle_beta 81.610(3) _cell_angle_gamma 90 _cell_volume 1232.41(7) _cell_formula_units_Z 4 _cell_measurement_temperature 298 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_special_details ; ; # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection # The next five fields are character fields that describe the specimen. _pd_spec_mounting # This field should be # used to give details of the # container. ; capillary ; _pd_spec_mount_mode transmission # options are 'reflection' # or 'transmission' _pd_spec_shape cylinder # options are 'cylinder' # 'flat_sheet' or 'irregular' _pd_char_particle_morphology ? _pd_char_colour ? # use ICDD colour descriptions # The following three fields describe the preparation of the specimen. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? # The next four fields are normally only needed for transmission experiments. _exptl_absorpt_coefficient_mu ? # include if applicable _exptl_absorpt_correction_type ? # include if applicable _exptl_absorpt_process_details ? # include if applicable _exptl_absorpt_correction_T_min ? # include if applicable _exptl_absorpt_correction_T_max ? # include if applicable #============================================================================== # 7. EXPERIMENTAL DATA _exptl_special_details ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; X16C, National Synchrotron Light Source, Brookhaven National Laboratory ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; NIST standard reference material 1976(sintered plate of Al2O3) Well-isolated 7 reflections were used to calibrate wavelength and detector zero. ; _diffrn_ambient_temperature 298 _diffrn_source 'synchrotron' _diffrn_source_target ? _diffrn_source_type ? _diffrn_radiation_type synchrotron _diffrn_measurement_device_type 'Huber diffractometer' _diffrn_detector 'NaI scintillation counter' _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method step # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following six items are used for angular dispersive measurements only. _diffrn_radiation_wavelength 0.699389 _diffrn_radiation_monochromator 'Si(111) channel cut' # The following four items give details of the measured (not processed) # powder pattern. Angles are in degrees. _pd_meas_number_of_points 10335 _pd_meas_2theta_range_min 4.999 _pd_meas_2theta_range_max 36.001 _pd_meas_2theta_range_inc 0.003 # The following three items are used for time-of-flight measurements only. _pd_instr_dist_src/spec ? _pd_instr_dist_spec/detc ? _pd_meas_2theta_fixed ? #============================================================================== # 8. REFINEMENT DATA # Use the next field to give any special details about the fitting of the # powder pattern. _pd_proc_ls_special_details ; Molecules are defined as rigid bodies using the z-matrix function implemented in TOPAS-Academic. The same isotropic displacement parameters are assigned to all of the molecules. ; # The next three items are given as text. _pd_proc_ls_profile_function ; Simple_Axial_model function with Rp=9999,Rs=330 in TOPAS-Academic ; _pd_proc_ls_background_function ; 3 Pearson-Voight peaks and Chebyshev polynomial with 5 coefficients ; _pd_proc_ls_pref_orient_corr ; none ; _pd_proc_ls_prof_R_factor 0.05667 # 5.667(%) _pd_proc_ls_prof_wR_factor 0.06464 # 6.464(%) _pd_proc_ls_prof_wR_expected 0.04927 # 4.927(%) _refine_ls_R_I_factor ? _refine_ls_R_Fsqd_factor ? _refine_ls_R_factor_all ? _refine_special_details ; ? ; _refine_ls_matrix_type ? _refine_ls_weighting_scheme sigma # options are 'sigma'(based on measured su's) # or 'calc' (calculated weights) _refine_ls_weighting_details '1/(sigma*sigma)' _refine_ls_extinction_coef ? _refine_ls_number_parameters 59 _refine_ls_number_restraints ? _refine_ls_number_constraints ? # The following item is the same as CHI, the square root of 'CHI squared' _refine_ls_goodness_of_fit_all 1.312 _refine_ls_restrained_S_all ? _refine_ls_shift/su_max ? _refine_ls_shift/su_mean ? # The following four items apply to angular dispersive measurements. # 2theta minimum, maximum and increment (in degrees) are for the # intensities used in the refinement. _pd_proc_2theta_range_min 4.999 _pd_proc_2theta_range_max 36.001 _pd_proc_2theta_range_inc 0.003 _pd_proc_wavelength 0.699389 _pd_block_diffractogram_id JLM1-244_2 # The id used for the block containing # the powder pattern profile (section 11). # Give appropriate details in the next two text fields. _pd_proc_info_excluded_regions ? _pd_proc_info_data_reduction ? # The following items are used to identify the programs used. _computing_data_collection SPEC _computing_cell_refinement TOPAS-Academic _computing_data_reduction TOPAS-Academic _computing_structure_solution TOPAS-Academic _computing_structure_refinement TOPAS-Academic _computing_molecular_graphics ? _computing_publication_material ? #============================================================================== # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv P1 P 4 0 -0.04633 0.25 1 5.93(11) F1 F 8 0.16109(62) -0.04423(56) 0.23603(53) 1 5.93(11) F2 F 4 0 0.11734(88) 0.25 1 5.93(11) F3 F 8 -0.01543(57) -0.04240(54) 0.37911(46) 1 5.93(11) F4 F 4 0 -0.20386(93) 0.25 1 5.93(11) C1 C 8 0.3381918 0.2500404 0.5716288 1 0.575(80) C2 C 8 0.243318 0.3472435 0.5750642 1 0.575(80) N1 N 8 0.3459869 0.1516565 0.4965243 1 0.575(80) H1 H 8 0.3971129 0.2500674 0.6194842 1 0.575(80) H2 H 8 0.2388537 0.4122121 0.6252148 1 0.575(80) C3 C 8 0.2863731 0.1997761 0.09098867 1 0.575(80) C4 C 8 0.189682 0.2953679 0.09603033 1 0.575(80) N2 N 8 0.3478256 0.1532867 -0.005100818 1 0.575(80) H3 H 8 0.3106741 0.1662214 0.1517785 1 0.575(80) H4 H 8 0.1493833 0.3256783 0.1601885 1 0.575(80) Ni1 Ni 4 0.5 0 0.5 1 0.354(55) H5 H 4 0.5 0.007750603 0.75 1 0.575(80) F5 F 8 0.5300558 -0.006858313 0.3373851 1 0.575(80) # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set. # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ #=============================================================================== # 10. MOLECULAR GEOMETRY _geom_special_details ; Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Ni1 F5 2.024(4) . . yes Ni1 N1 2.1499(35) . . yes Ni1 N2 2.1518(42) . 2_655 yes Ni1 F5 2.025(4) . 3_656 yes Ni1 N1 2.1499(35) . 3_656 yes Ni1 N2 2.1518(42) . 4_555 yes P1 F1 1.587(6) . 2_555 yes P1 F3 1.615(5) . 2_555 yes P1 F2 1.625(8) . . yes P1 F3 1.615(5) . . yes P1 F1 1.587(6) . . yes P1 F4 1.559(9) . . yes F5 H5 1.1900 . 3_656 no N1 C2 1.3574(23) . 7_556 yes N1 C1 1.3574(23) . . yes N2 C4 1.3574(23) . 7_555 yes N2 C3 1.3574(23) . . yes C1 C2 1.3474(29) . . no C3 C4 1.3474(29) . . no C1 H1 0.9000 . . no C2 H2 0.9000 . . no C3 H3 0.9000 . . no C4 H4 0.9000 . . no loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag F5 Ni1 N1 90.60(24) . . . yes F5 Ni1 N2 93.25(28) . . 2_655 yes F5 Ni1 F5 180.00 . . 3_656 yes F5 Ni1 N1 89.40(24) . . 3_656 yes F5 Ni1 N2 86.75(28) . . 4_555 yes N1 Ni1 N2 90.62(23) . . 2_655 yes F5 Ni1 N1 89.40(24) 3_656 . . yes N1 Ni1 N1 180.00 . . 3_656 yes N1 Ni1 N2 89.38 . . 4_555 yes F5 Ni1 N2 86.75(28) 3_656 . 2_655 yes N1 Ni1 N2 89.38(24) 3_656 . 2_655 yes N2 Ni1 N2 180.00 2_655 . 4_555 yes F5 Ni1 N1 90.60(24) 3_656 . 3_656 yes F5 Ni1 N2 93.25(28) 3_656 . 4_555 yes N1 Ni1 N2 90.62(23) 3_656 . 4_555 yes F1 P1 F4 90.51(18) 2_555 . . yes F3 P1 F4 91.32(18) 2_555 . . yes F1 P1 F3 93.3(3) 2_555 . 2_555 yes F2 P1 F4 179.98(2) . . . yes F1 P1 F2 89.49(18) . . . yes F1 P1 F3 93.3(3) . . . yes F1 P1 F4 90.51(18) . . . yes F1 P1 F1 179.0(3) . . 2_555 yes F1 P1 F3 86.7(3) . . 2_555 yes F2 P1 F3 88.68(18) . . . yes F3 P1 F4 91.32(18) . . . yes F1 P1 F2 89.49(18) 2_555 . . yes F2 P1 F3 88.68(18) . . 2_555 yes F1 P1 F3 86.7(3) 2_555 . . yes F3 P1 F3 177.4(2) . . 2_555 yes Ni1 F5 H5 157.00 . . 3_656 no C1 N1 C2 118.54(32) . . 7_556 yes Ni1 N1 C1 117.88(64) . . . yes Ni1 N1 C2 123.57(66) . . 7_556 yes C3 N2 C4 118.54(32) . . 7_555 yes Ni1 N2 C4 125.54(66) 2_655 . 7_555 yes Ni1 N2 C3 115.92(61) 2_655 . . yes N1 C1 C2 120.73(16) . . . yes N1 C2 C1 120.73(16) 7_556 . . yes N2 C3 C4 120.73(16) . . . yes N2 C4 C3 120.73(16) 7_555 . . yes N1 C1 H1 119.00 . . . no C2 C1 H1 120.00 . . . no C1 C2 H2 120.00 . . . no N1 C2 H2 119.00 7_556 . . no N2 C3 H3 119.00 . . . no C4 C3 H3 120.00 . . . no C3 C4 H4 120.00 . . . no N2 C4 H4 119.00 7_555 . . no 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag F5 Ni1 N1 C1 -143.13 . . . . no N2 Ni1 N1 C1 -49.88 2_655 . . . no F5 Ni1 N1 C1 36.87 3_656 . . . no N2 Ni1 N1 C1 130.12 4_555 . . . no F5 Ni1 N1 C2 37.23 . . . 7_556 no Ni1 N1 C1 C2 -179.65 . . . . no C2 N1 C1 C2 0.00 7_556 . . . no C1 N1 C2 C1 0.02 7_556 7_556 . . no C4 N2 C3 C4 0.00 7_555 . . . no Ni1 N2 C3 C4 -179.79 2_655 . . . no C3 N2 C4 C3 0.02 7_555 7_555 . . no N1 C1 C2 N1 0.00 . . . 7_556 no N2 C3 C4 N2 0.00 . . . 7_555 no # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set. # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ #============================================================================== # 11. POWDER PROFILE # Each refinement must be accompanied by a listing of the powder profile # in CIF format. Each listing should be sent as a separate file consisting # of one data block containing a single powder profile. The _pd_block_id # is used to associate each refinement with its corresponding powder profile # since it must match the field _pd_block_diffractogram_id in section 8. data_profile_JLM-244_2-profile _pd_block_id JLM1-244_2 loop_ _pd_proc_point_id _pd_proc_2theta_corrected # one of # _pd_proc_energy_incident # these # _pd_proc_d_spacing # three _pd_proc_intensity_net _pd_calc_intensity_net _pd_proc_ls_weight 1 4.999 177 186 0.00354308 2 5.002 157 186 0.00400577 3 5.005 182 186 0.00346021 4 5.008 177 185 0.00354308 5 5.011 158 185 0.00400577 6 5.014 174 185 0.00362897 7 5.017 192 185 0.00330295 8 5.020 204 185 0.00308642 9 5.023 200 185 0.00315617 10 5.026 204 185 0.00308642 11 5.029 189 185 0.00334124 12 5.032 181 185 0.00350128 13 5.035 174 184 0.00362897 14 5.038 174 184 0.00362897 15 5.041 179 184 0.00354308 16 5.044 181 184 0.00350128 17 5.047 170 184 0.00371802 18 5.050 189 184 0.00334124 19 5.053 178 184 0.00354308 20 5.056 181 184 0.00350128 21 5.059 163 184 0.00385788 22 5.062 154 184 0.00410914 23 5.065 174 183 0.00362897 24 5.068 166 183 0.00381039 25 5.071 193 183 0.00326531 26 5.074 206 183 0.00305241 27 5.077 159 183 0.00400577 28 5.080 189 183 0.00334124 29 5.083 220 183 0.00285968 30 5.086 206 183 0.00305241 31 5.089 193 183 0.00326531 32 5.092 181 183 0.00350128 33 5.095 166 183 0.00381039 34 5.098 187 182 0.00338021 35 5.101 178 182 0.00354308 36 5.104 230 182 0.00274115 37 5.107 174 182 0.00362897 38 5.110 193 182 0.00326531 39 5.113 163 182 0.00385788 40 5.116 160 182 0.00395554 41 5.119 146 182 0.00432825 42 5.122 168 182 0.00376378 43 5.125 181 182 0.00350128 44 5.128 197 182 0.00322831 45 5.131 179 182 0.00354308 46 5.134 190 182 0.00330295 47 5.137 174 181 0.00362897 48 5.140 184 181 0.00341986 49 5.143 178 181 0.00354308 50 5.146 208 181 0.00301896 51 5.149 170 181 0.00371802 52 5.152 189 181 0.00334124 53 5.155 189 181 0.00334124 54 5.158 181 181 0.00350128 55 5.161 176 181 0.00358564 56 5.164 165 181 0.00381039 57 5.167 195 181 0.00322831 58 5.170 170 181 0.00371802 59 5.173 190 181 0.00330295 60 5.176 155 181 0.00405696 61 5.179 192 181 0.00330295 62 5.182 170 181 0.00371802 63 5.185 170 180 0.00371802 64 5.188 189 180 0.00334124 65 5.191 181 180 0.00350128 66 5.194 198 180 0.00319193 67 5.197 206 180 0.00305241 68 5.200 198 180 0.00319193 69 5.203 232 180 0.00271267 70 5.206 171 180 0.00367309 71 5.209 179 180 0.00350128 72 5.212 157 180 0.00400577 73 5.215 186 180 0.00338021 74 5.218 167 180 0.00376378 75 5.221 170 180 0.00371802 76 5.224 170 180 0.00371802 77 5.227 192 180 0.00330295 78 5.230 159 180 0.00395554 79 5.233 186 180 0.00338021 80 5.236 173 180 0.00362897 81 5.239 167 180 0.00376378 82 5.242 181 180 0.00350128 83 5.245 186 180 0.00338021 84 5.248 167 180 0.00381039 85 5.251 179 180 0.00350128 86 5.254 200 179 0.00315617 87 5.257 159 179 0.00395554 88 5.260 179 179 0.00350128 89 5.263 176 179 0.00358564 90 5.266 170 179 0.00371802 91 5.269 201 179 0.003121 92 5.272 176 179 0.00358564 93 5.275 202 179 0.003121 94 5.278 171 179 0.00367309 95 5.281 178 179 0.00354308 96 5.284 208 179 0.00301896 97 5.287 160 179 0.00395554 98 5.290 182 179 0.00346021 99 5.293 184 179 0.00341986 100 5.296 171 179 0.00367309 101 5.299 197 179 0.00319193 102 5.302 202 179 0.003121 103 5.305 154 179 0.00410914 104 5.308 213 179 0.00295369 105 5.311 157 179 0.00400577 106 5.314 184 179 0.00341986 107 5.317 170 179 0.00371802 108 5.320 213 179 0.00295369 109 5.323 222 179 0.00282933 110 5.326 157 179 0.00400577 111 5.329 179 179 0.00350128 112 5.332 206 179 0.00305241 113 5.335 181 179 0.00350128 114 5.338 176 179 0.00358564 115 5.341 219 179 0.00289051 116 5.344 155 179 0.00405696 117 5.347 197 179 0.00319193 118 5.350 189 179 0.00334124 119 5.353 205 179 0.00308642 120 5.356 203 179 0.00308642 121 5.359 205 179 0.00308642 122 5.362 186 179 0.00338021 123 5.365 160 179 0.00390625 124 5.368 176 179 0.00358564 125 5.371 179 179 0.00350128 126 5.374 183 179 0.00346021 127 5.377 189 179 0.00334124 128 5.380 198 179 0.00319193 129 5.383 195 179 0.00322831 130 5.386 205 179 0.00308642 131 5.389 165 179 0.00381039 132 5.392 165 179 0.00381039 133 5.395 159 179 0.00395554 134 5.398 173 179 0.00362897 135 5.401 181 179 0.00346021 136 5.404 160 179 0.00390625 137 5.407 194 179 0.00326531 138 5.410 191 179 0.00330295 139 5.413 157 179 0.00400577 140 5.416 194 179 0.00326531 141 5.419 191 179 0.00330295 142 5.422 199 179 0.00315617 143 5.425 210 179 0.00298606 144 5.428 199 179 0.00315617 145 5.431 189 179 0.00334124 146 5.434 168 180 0.00376378 147 5.437 172 180 0.00367309 148 5.440 162 180 0.00390625 149 5.443 218 180 0.00289051 150 5.446 156 180 0.00405696 151 5.449 184 180 0.00341986 152 5.452 176 180 0.00358564 153 5.455 168 180 0.00371802 154 5.458 184 180 0.00341986 155 5.461 165 180 0.00381039 156 5.464 208 181 0.00301896 157 5.467 191 181 0.00330295 158 5.470 151 181 0.00416233 159 5.473 207 181 0.00305241 160 5.476 176 181 0.00358564 161 5.479 183 182 0.00346021 162 5.482 194 182 0.00326531 163 5.485 181 182 0.00346021 164 5.488 162 182 0.00390625 165 5.491 175 182 0.00358564 166 5.494 186 182 0.00338021 167 5.497 197 182 0.00319193 168 5.500 175 183 0.00358564 169 5.503 156 183 0.00405696 170 5.506 189 183 0.00334124 171 5.509 184 183 0.00341986 172 5.512 210 184 0.00298606 173 5.515 168 184 0.00371802 174 5.518 184 185 0.00341986 175 5.521 156 186 0.00405696 176 5.524 189 187 0.00334124 177 5.527 183 188 0.00346021 178 5.530 162 189 0.00390625 179 5.533 195 190 0.00322831 180 5.536 192 192 0.00326531 181 5.539 197 193 0.00319193 182 5.542 195 195 0.00322831 183 5.545 181 196 0.00346021 184 5.548 178 198 0.00354308 185 5.551 200 200 0.00315617 186 5.554 194 201 0.00322831 187 5.557 234 203 0.00268464 188 5.560 203 205 0.00308642 189 5.563 196 207 0.00322831 190 5.566 181 209 0.00346021 191 5.569 215 211 0.00292184 192 5.572 189 213 0.00334124 193 5.575 194 215 0.00322831 194 5.578 211 217 0.00298606 195 5.581 208 220 0.00301896 196 5.584 218 222 0.00289051 197 5.587 211 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781 0.00087016 994 7.978 766 811 0.00080708 995 7.981 842 843 0.00073842 996 7.984 831 877 0.00074651 997 7.987 831 913 0.00074651 998 7.990 905 952 0.00068529 999 7.993 978 994 0.00063448 1000 7.996 1033 1039 0.00060073 1001 7.999 986 1087 0.00062814 1002 8.002 1102 1139 0.0005642 1003 8.005 1152 1195 0.00053833 1004 8.008 1212 1255 0.00051187 1005 8.011 1309 1319 0.00047465 1006 8.014 1422 1389 0.00043584 1007 8.017 1497 1463 0.0004148 1008 8.020 1646 1543 0.00037704 1009 8.023 1773 1628 0.00034938 1010 8.026 1796 1719 0.00034549 1011 8.029 1897 1817 0.000327 1012 8.032 2007 1920 0.00030887 1013 8.035 2257 2030 0.00027502 1014 8.038 2429 2144 0.00025518 1015 8.041 2347 2261 0.00026439 1016 8.044 2507 2379 0.00024722 1017 8.047 2660 2490 0.00023309 1018 8.050 2690 2589 0.00023027 1019 8.053 2818 2664 0.00022013 1020 8.056 2770 2709 0.0002241 1021 8.059 2783 2719 0.00022277 1022 8.062 2722 2702 0.00022818 1023 8.065 2729 2673 0.0002275 1024 8.068 2765 2645 0.0002241 1025 8.071 2709 2630 0.00022887 1026 8.074 2691 2633 0.00023027 1027 8.077 2608 2655 0.00023742 1028 8.080 2745 2696 0.00022613 1029 8.083 2800 2754 0.00022144 1030 8.086 2779 2826 0.00022277 1031 8.089 2705 2913 0.00022887 1032 8.092 2781 3011 0.00022277 1033 8.095 3144 3121 0.00019726 1034 8.098 3101 3242 0.00020006 1035 8.101 3281 3372 0.0001892 1036 8.104 3418 3513 0.00018163 1037 8.107 3671 3662 0.00016866 1038 8.110 3864 3821 0.00016023 1039 8.113 3993 3987 0.00015508 1040 8.116 4203 4159 0.00014764 1041 8.119 4414 4336 0.00014038 1042 8.122 4534 4514 0.00013679 1043 8.125 4771 4688 0.00013002 1044 8.128 4923 4851 0.00012596 1045 8.131 5114 4992 0.00012129 1046 8.134 5100 5098 0.00012156 1047 8.137 5408 5157 0.00011463 1048 8.140 5356 5157 0.00011562 1049 8.143 5217 5096 0.00011866 1050 8.146 5144 4981 0.00012049 1051 8.149 4858 4824 0.00012768 1052 8.152 4648 4635 0.00013334 1053 8.155 4547 4424 0.00013616 1054 8.158 4238 4198 0.00014621 1055 8.161 3888 3962 0.00015942 1056 8.164 3588 3721 0.00017268 1057 8.167 3420 3480 0.00018114 1058 8.170 3187 3244 0.00019452 1059 8.173 2845 3017 0.00021754 1060 8.176 2729 2802 0.00022681 1061 8.179 2577 2602 0.00024037 1062 8.182 2414 2417 0.00025682 1063 8.185 2243 2247 0.00027594 1064 8.188 2018 2093 0.00030671 1065 8.191 1866 1953 0.00033178 1066 8.194 1922 1826 0.00032232 1067 8.197 1725 1712 0.0003587 1068 8.200 1542 1609 0.0004016 1069 8.203 1539 1516 0.00040322 1070 8.206 1450 1433 0.00042688 1071 8.209 1391 1357 0.00044509 1072 8.212 1359 1289 0.00045657 1073 8.215 1304 1227 0.00047465 1074 8.218 1196 1171 0.00051888 1075 8.221 1105 1120 0.00056153 1076 8.224 1083 1074 0.00057233 1077 8.227 1086 1032 0.0005696 1078 8.230 966 993 0.00064092 1079 8.233 1039 958 0.0005978 1080 8.236 901 926 0.00068889 1081 8.239 960 896 0.00064418 1082 8.242 890 869 0.00069618 1083 8.245 863 844 0.00071876 1084 8.248 868 821 0.00071492 1085 8.251 873 800 0.00071111 1086 8.254 874 780 0.00070733 1087 8.257 853 762 0.00072653 1088 8.260 745 745 0.0008305 1089 8.263 743 729 0.00083531 1090 8.266 711 715 0.00087016 1091 8.269 740 701 0.00083531 1092 8.272 733 689 0.00084505 1093 8.275 741 677 0.00083531 1094 8.278 650 666 0.0009526 1095 8.281 721 656 0.00085999 1096 8.284 704 646 0.00088052 1097 8.287 717 638 0.00086505 1098 8.290 637 629 0.00097049 1099 8.293 638 621 0.00097049 1100 8.296 659 614 0.00094095 1101 8.299 649 607 0.0009526 1102 8.302 667 601 0.00092951 1103 8.305 606 595 0.00102073 1104 8.308 659 589 0.00094095 1105 8.311 622 584 0.00099513 1106 8.314 648 579 0.0009526 1107 8.317 620 574 0.00099513 1108 8.320 591 570 0.00104733 1109 8.323 622 565 0.00099513 1110 8.326 614 562 0.00100781 1111 8.329 614 558 0.00100781 1112 8.332 638 554 0.00097049 1113 8.335 650 551 0.0009526 1114 8.338 565 548 0.00109644 1115 8.341 590 545 0.00104733 1116 8.344 514 542 0.00120563 1117 8.347 614 540 0.00100781 1118 8.350 574 537 0.00108206 1119 8.353 477 535 0.00130329 1120 8.356 562 533 0.00110374 1121 8.359 546 531 0.00113367 1122 8.362 491 529 0.00125748 1123 8.365 588 527 0.00105414 1124 8.368 512 525 0.00120563 1125 8.371 527 524 0.00117283 1126 8.374 548 522 0.00113367 1127 8.377 493 521 0.00125748 1128 8.380 493 519 0.00125748 1129 8.383 585 518 0.00106102 1130 8.386 572 517 0.00108206 1131 8.389 532 516 0.00116484 1132 8.392 515 515 0.00120563 1133 8.395 524 514 0.0011809 1134 8.398 545 513 0.00113367 1135 8.401 459 512 0.00135164 1136 8.404 511 511 0.00121405 1137 8.407 504 510 0.00123115 1138 8.410 451 509 0.00137174 1139 8.413 506 509 0.00122255 1140 8.416 506 508 0.00122255 1141 8.419 494 507 0.00124861 1142 8.422 533 507 0.00115693 1143 8.425 477 506 0.00130329 1144 8.428 435 505 0.00142399 1145 8.431 495 505 0.00124861 1146 8.434 520 504 0.00118906 1147 8.437 496 504 0.00124861 1148 8.440 517 504 0.0011973 1149 8.443 509 503 0.00121405 1150 8.446 483 503 0.00128467 1151 8.449 457 502 0.00135164 1152 8.452 480 502 0.00128467 1153 8.455 474 502 0.00130329 1154 8.458 470 501 0.00131275 1155 8.461 520 501 0.00118906 1156 8.464 483 501 0.00128467 1157 8.467 509 501 0.00121405 1158 8.470 488 500 0.00126645 1159 8.473 493 500 0.00125748 1160 8.476 472 500 0.00131275 1161 8.479 477 500 0.00129393 1162 8.482 534 500 0.00115693 1163 8.485 537 499 0.00115693 1164 8.488 511 499 0.00121405 1165 8.491 499 499 0.00123983 1166 8.494 485 499 0.00127551 1167 8.497 451 499 0.00137174 1168 8.500 504 499 0.00123115 1169 8.503 469 499 0.00132231 1170 8.506 511 499 0.00121405 1171 8.509 472 499 0.00131275 1172 8.512 490 499 0.00126645 1173 8.515 459 499 0.00135164 1174 8.518 507 499 0.00122255 1175 8.521 486 500 0.00127551 1176 8.524 475 500 0.00130329 1177 8.527 472 500 0.00131275 1178 8.530 519 501 0.0011973 1179 8.533 475 501 0.00130329 1180 8.536 504 502 0.00123115 1181 8.539 509 502 0.00121405 1182 8.542 477 503 0.00129393 1183 8.545 483 504 0.00128467 1184 8.548 530 505 0.00116484 1185 8.551 440 506 0.00140274 1186 8.554 424 507 0.00145679 1187 8.557 525 509 0.0011809 1188 8.560 445 510 0.00139229 1189 8.563 501 512 0.00123115 1190 8.566 488 513 0.00126645 1191 8.569 422 515 0.00146798 1192 8.572 479 517 0.00129393 1193 8.575 483 519 0.00128467 1194 8.578 504 522 0.00123115 1195 8.581 537 524 0.00115693 1196 8.584 517 526 0.0011973 1197 8.587 446 529 0.00139229 1198 8.590 461 532 0.00134176 1199 8.593 483 535 0.00128467 1200 8.596 525 538 0.0011809 1201 8.599 512 541 0.00120563 1202 8.602 525 545 0.0011809 1203 8.605 541 548 0.00114134 1204 8.608 588 552 0.00105414 1205 8.611 527 556 0.00117283 1206 8.614 571 561 0.00108206 1207 8.617 540 566 0.0011491 1208 8.620 511 571 0.00121405 1209 8.623 540 576 0.0011491 1210 8.626 556 582 0.00111111 1211 8.629 595 588 0.00104058 1212 8.632 574 595 0.00107498 1213 8.635 610 601 0.00101424 1214 8.638 553 608 0.00111856 1215 8.641 564 616 0.00109644 1216 8.644 555 623 0.00111856 1217 8.647 588 631 0.00105414 1218 8.650 584 639 0.00106102 1219 8.653 608 647 0.00102073 1220 8.656 621 654 0.00099513 1221 8.659 676 660 0.00091273 1222 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465 0.0014348 1256 8.764 488 464 0.00126645 1257 8.767 526 463 0.0011809 1258 8.770 456 462 0.00136164 1259 8.773 527 462 0.00117283 1260 8.776 508 461 0.00121405 1261 8.779 506 461 0.00122255 1262 8.782 513 461 0.00120563 1263 8.785 530 461 0.00116484 1264 8.788 529 461 0.00117283 1265 8.791 495 461 0.00124861 1266 8.794 508 461 0.00121405 1267 8.797 490 462 0.00126645 1268 8.800 540 463 0.0011491 1269 8.803 522 463 0.0011809 1270 8.806 519 464 0.00118906 1271 8.809 516 465 0.0011973 1272 8.812 480 466 0.00128467 1273 8.815 497 468 0.00124861 1274 8.818 578 469 0.00106797 1275 8.821 552 471 0.00111856 1276 8.824 526 473 0.00117283 1277 8.827 492 475 0.00125748 1278 8.830 555 477 0.00111856 1279 8.833 555 479 0.00111856 1280 8.836 552 482 0.00111856 1281 8.839 553 485 0.00111856 1282 8.842 501 488 0.00123115 1283 8.845 569 491 0.00108922 1284 8.848 585 495 0.00105414 1285 8.851 559 499 0.00110374 1286 8.854 588 503 0.00105414 1287 8.857 609 507 0.00101424 1288 8.860 606 512 0.00102073 1289 8.863 543 518 0.00114134 1290 8.866 631 523 0.00098269 1291 8.869 568 530 0.00108922 1292 8.872 566 536 0.00108922 1293 8.875 550 544 0.00112608 1294 8.878 650 551 0.0009526 1295 8.881 612 560 0.00101424 1296 8.884 667 569 0.00092951 1297 8.887 691 579 0.00089641 1298 8.890 642 589 0.00096447 1299 8.893 624 601 0.00098888 1300 8.896 623 613 0.00099513 1301 8.899 717 627 0.00086505 1302 8.902 712 641 0.00087016 1303 8.905 738 657 0.00084016 1304 8.908 780 674 0.00079349 1305 8.911 721 693 0.00085496 1306 8.914 747 712 0.00082574 1307 8.917 780 734 0.00079349 1308 8.920 780 757 0.00079349 1309 8.923 832 781 0.00074245 1310 8.926 835 808 0.00074245 1311 8.929 796 836 0.00077591 1312 8.932 898 865 0.00068889 1313 8.935 867 897 0.00071492 1314 8.938 964 931 0.00064092 1315 8.941 1010 966 0.00061269 1316 8.944 1031 1003 0.00060073 1317 8.947 979 1043 0.0006313 1318 8.950 1091 1084 0.00056689 1319 8.953 1125 1128 0.00055104 1320 8.956 1154 1174 0.00053584 1321 8.959 1191 1221 0.00051888 1322 8.962 1197 1271 0.00051653 1323 8.965 1253 1324 0.00049383 1324 8.968 1347 1379 0.00045853 1325 8.971 1314 1436 0.00047054 1326 8.974 1395 1495 0.00044321 1327 8.977 1490 1558 0.0004148 1328 8.980 1513 1622 0.00040812 1329 8.983 1619 1690 0.00038147 1330 8.986 1656 1759 0.00037413 1331 8.989 1710 1832 0.00036143 1332 8.992 1736 1906 0.000356 1333 8.995 1870 1983 0.00033058 1334 8.998 1975 2062 0.00031326 1335 9.001 2045 2142 0.00030246 1336 9.004 2095 2224 0.00029523 1337 9.007 2256 2305 0.00027411 1338 9.010 2222 2387 0.00027871 1339 9.013 2331 2467 0.00026525 1340 9.016 2526 2544 0.00024491 1341 9.019 2573 2617 0.00024037 1342 9.022 2731 2683 0.00022681 1343 9.025 2650 2740 0.00023309 1344 9.028 2709 2786 0.00022818 1345 9.031 2753 2818 0.00022478 1346 9.034 2802 2834 0.00022079 1347 9.037 2942 2832 0.00021004 1348 9.040 2821 2810 0.00021948 1349 9.043 2915 2767 0.0002125 1350 9.046 2768 2705 0.00022343 1351 9.049 2767 2625 0.00022343 1352 9.052 2637 2529 0.00023452 1353 9.055 2460 2421 0.00025115 1354 9.058 2478 2305 0.00024957 1355 9.061 2212 2185 0.00027964 1356 9.064 2213 2063 0.00027964 1357 9.067 1902 1943 0.00032582 1358 9.070 1865 1826 0.00033178 1359 9.073 1767 1715 0.00035069 1360 9.076 1636 1611 0.00037851 1361 9.079 1440 1513 0.00043043 1362 9.082 1267 1422 0.00048947 1363 9.085 1193 1339 0.00051888 1364 9.088 1063 1262 0.00058064 1365 9.091 1024 1192 0.00060369 1366 9.094 938 1127 0.00066085 1367 9.097 864 1068 0.00071492 1368 9.100 862 1014 0.00071876 1369 9.103 796 965 0.00077591 1370 9.106 705 920 0.00087532 1371 9.109 725 879 0.00085496 1372 9.112 683 841 0.00090724 1373 9.115 638 806 0.00097049 1374 9.118 594 774 0.00104058 1375 9.121 594 745 0.00104058 1376 9.124 598 717 0.0010339 1377 9.127 569 692 0.00108922 1378 9.130 568 669 0.00108922 1379 9.133 539 648 0.0011491 1380 9.136 526 628 0.00117283 1381 9.139 489 609 0.00126645 1382 9.142 501 592 0.00123115 1383 9.145 540 576 0.0011491 1384 9.148 487 561 0.00126645 1385 9.151 471 547 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0.00192367 1913 10.735 296 295 0.00206612 1914 10.738 317 295 0.00192367 1915 10.741 314 294 0.00194065 1916 10.744 304 294 0.0020109 1917 10.747 280 293 0.0021836 1918 10.750 316 293 0.00194065 1919 10.753 316 293 0.00194065 1920 10.756 299 292 0.00204746 1921 10.759 332 292 0.00184199 1922 10.762 316 292 0.00194065 1923 10.765 295 291 0.00206612 1924 10.768 283 291 0.00216333 1925 10.771 349 291 0.00175067 1926 10.774 298 291 0.00204746 1927 10.777 285 291 0.00214335 1928 10.780 267 291 0.00228932 1929 10.783 316 291 0.00194065 1930 10.786 314 291 0.00194065 1931 10.789 304 291 0.0020109 1932 10.792 288 291 0.00212364 1933 10.795 290 290 0.0021042 1934 10.798 304 290 0.0020109 1935 10.801 340 290 0.00179546 1936 10.804 319 291 0.0019069 1937 10.807 278 291 0.00220415 1938 10.810 311 291 0.00195787 1939 10.813 291 291 0.0021042 1940 10.816 314 291 0.00194065 1941 10.819 326 291 0.00187403 1942 10.822 308 291 0.00199298 1943 10.825 278 291 0.00220415 1944 10.828 342 291 0.00178034 1945 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302 0.00187403 1978 10.930 333 303 0.00184199 1979 10.933 292 304 0.00208503 1980 10.936 287 304 0.00212364 1981 10.939 352 305 0.00173611 1982 10.942 323 306 0.00189036 1983 10.945 339 307 0.00179546 1984 10.948 313 308 0.00195787 1985 10.951 357 309 0.00170753 1986 10.954 316 310 0.00192367 1987 10.957 329 311 0.00185791 1988 10.960 313 313 0.00194065 1989 10.963 287 314 0.00212364 1990 10.966 277 315 0.00220415 1991 10.969 352 317 0.00173611 1992 10.972 413 318 0.00147929 1993 10.975 365 320 0.00166597 1994 10.978 357 322 0.00170753 1995 10.981 344 324 0.00178034 1996 10.984 324 326 0.00187403 1997 10.987 370 328 0.00165246 1998 10.990 339 330 0.00179546 1999 10.993 369 333 0.00165246 2000 10.996 366 335 0.00166597 2001 10.999 367 338 0.00166597 2002 11.002 333 341 0.00182628 2003 11.005 331 344 0.00184199 2004 11.008 375 347 0.00162591 2005 11.011 336 350 0.00181077 2006 11.014 408 354 0.00149074 2007 11.017 387 358 0.0015747 2008 11.020 367 361 0.00166597 2009 11.023 374 365 0.00162591 2010 11.026 399 369 0.00152588 2011 11.029 379 374 0.00161288 2012 11.032 372 378 0.0016391 2013 11.035 371 383 0.0016391 2014 11.038 421 387 0.00144573 2015 11.041 413 392 0.00147929 2016 11.044 461 397 0.00132231 2017 11.047 415 402 0.00146798 2018 11.050 445 407 0.00137174 2019 11.053 394 412 0.00155 2020 11.056 403 418 0.00151403 2021 11.059 412 423 0.00147929 2022 11.062 476 430 0.00128467 2023 11.065 450 434 0.00135164 2024 11.068 472 438 0.00129393 2025 11.071 384 441 0.00158728 2026 11.074 407 444 0.00150231 2027 11.077 400 446 0.00152588 2028 11.080 440 448 0.00138196 2029 11.083 387 449 0.0015747 2030 11.086 471 450 0.00129393 2031 11.089 413 449 0.00147929 2032 11.092 445 448 0.00137174 2033 11.095 459 447 0.00133198 2034 11.098 430 444 0.00141331 2035 11.101 453 441 0.00134176 2036 11.104 405 438 0.00150231 2037 11.107 412 433 0.00147929 2038 11.110 481 429 0.00126645 2039 11.113 499 424 0.00122255 2040 11.116 445 419 0.00137174 2041 11.119 437 414 0.00139229 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142 0.02227668 10036 35.104 142 142 0.02295684 10037 35.107 137 143 0.02366864 10038 35.110 148 143 0.0216263 10039 35.113 134 143 0.02441406 10040 35.116 147 144 0.0216263 10041 35.119 150 144 0.0216263 10042 35.122 152 144 0.02100399 10043 35.125 146 145 0.02227668 10044 35.128 139 145 0.02295684 10045 35.131 155 146 0.02100399 10046 35.134 149 146 0.0216263 10047 35.137 153 147 0.02100399 10048 35.140 150 148 0.0216263 10049 35.143 147 148 0.02227668 10050 35.146 141 149 0.02295684 10051 35.149 154 150 0.02100399 10052 35.152 158 151 0.02040816 10053 35.155 150 152 0.0216263 10054 35.158 149 153 0.0216263 10055 35.161 159 154 0.02040816 10056 35.164 165 155 0.01983733 10057 35.167 161 156 0.01983733 10058 35.170 163 157 0.01983733 10059 35.173 162 159 0.01983733 10060 35.176 164 161 0.01983733 10061 35.179 162 162 0.01983733 10062 35.182 174 164 0.0182615 10063 35.185 165 166 0.01929012 10064 35.188 173 168 0.01876525 10065 35.191 171 170 0.01876525 10066 35.194 174 172 0.01876525 10067 35.197 163 174 0.01983733 10068 35.200 177 176 0.0182615 10069 35.203 181 177 0.01777778 10070 35.206 172 178 0.01876525 10071 35.209 183 179 0.01777778 10072 35.212 194 180 0.01643655 10073 35.215 181 180 0.01777778 10074 35.218 186 181 0.01731302 10075 35.221 189 180 0.01686625 10076 35.224 181 180 0.01777778 10077 35.227 173 180 0.01876525 10078 35.230 188 180 0.01731302 10079 35.233 174 179 0.01876525 10080 35.236 175 179 0.0182615 10081 35.239 174 180 0.0182615 10082 35.242 170 180 0.01876525 10083 35.245 179 180 0.01777778 10084 35.248 180 181 0.01777778 10085 35.251 166 182 0.01929012 10086 35.254 187 183 0.01731302 10087 35.257 178 183 0.0182615 10088 35.260 172 184 0.01876525 10089 35.263 189 185 0.01686625 10090 35.266 183 186 0.01777778 10091 35.269 193 187 0.01643655 10092 35.272 187 187 0.01731302 10093 35.275 176 187 0.0182615 10094 35.278 187 188 0.01731302 10095 35.281 196 188 0.01643655 10096 35.284 189 188 0.01686625 10097 35.287 184 188 0.01731302 10098 35.290 199 188 0.01602307 10099 35.293 195 187 0.01643655 10100 35.296 198 187 0.01643655 10101 35.299 190 187 0.01686625 10102 35.302 180 187 0.01777778 10103 35.305 194 187 0.01643655 10104 35.308 206 187 0.015625 10105 35.311 196 187 0.01643655 10106 35.314 196 188 0.01643655 10107 35.317 194 188 0.01643655 10108 35.320 193 188 0.01643655 10109 35.323 202 188 0.01602307 10110 35.326 188 189 0.01731302 10111 35.329 201 189 0.01602307 10112 35.332 189 189 0.01686625 10113 35.335 194 189 0.01643655 10114 35.338 189 188 0.01686625 10115 35.341 189 188 0.01686625 10116 35.344 185 187 0.01731302 10117 35.347 183 186 0.01777778 10118 35.350 173 185 0.01876525 10119 35.353 183 184 0.01777778 10120 35.356 178 183 0.01777778 10121 35.359 187 182 0.01731302 10122 35.362 186 180 0.01731302 10123 35.365 185 179 0.01731302 10124 35.368 174 178 0.0182615 10125 35.371 182 177 0.01777778 10126 35.374 172 176 0.01876525 10127 35.377 177 175 0.0182615 10128 35.380 175 174 0.0182615 10129 35.383 179 173 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35.479 158 156 0.02040816 10162 35.482 147 155 0.0216263 10163 35.485 159 154 0.01983733 10164 35.488 150 153 0.02100399 10165 35.491 141 153 0.02295684 10166 35.494 154 152 0.02100399 10167 35.497 158 152 0.02040816 10168 35.500 133 151 0.02441406 10169 35.503 162 150 0.01983733 10170 35.506 164 150 0.01929012 10171 35.509 156 149 0.02040816 10172 35.512 141 149 0.02295684 10173 35.515 134 149 0.02366864 10174 35.518 140 148 0.02295684 10175 35.521 148 148 0.0216263 10176 35.524 147 148 0.0216263 10177 35.527 157 147 0.02040816 10178 35.530 137 147 0.02366864 10179 35.533 149 147 0.0216263 10180 35.536 151 147 0.02100399 10181 35.539 153 146 0.02100399 10182 35.542 143 146 0.02227668 10183 35.545 155 146 0.02040816 10184 35.548 143 146 0.02227668 10185 35.551 139 146 0.02295684 10186 35.554 143 146 0.02227668 10187 35.557 148 145 0.0216263 10188 35.560 146 145 0.0216263 10189 35.563 154 145 0.02100399 10190 35.566 141 145 0.02227668 10191 35.569 142 145 0.02227668 10192 35.572 141 145 0.02295684 10193 35.575 153 145 0.02100399 10194 35.578 160 145 0.01983733 10195 35.581 130 145 0.02441406 10196 35.584 142 145 0.02227668 10197 35.587 140 145 0.02295684 10198 35.590 140 145 0.02295684 10199 35.593 147 145 0.0216263 10200 35.596 142 145 0.02227668 10201 35.599 140 145 0.02295684 10202 35.602 135 145 0.02366864 10203 35.605 145 145 0.02227668 10204 35.608 132 145 0.02441406 10205 35.611 146 145 0.0216263 10206 35.614 147 145 0.0216263 10207 35.617 143 145 0.02227668 10208 35.620 141 145 0.02295684 10209 35.623 148 145 0.0216263 10210 35.626 138 144 0.02295684 10211 35.629 142 144 0.02227668 10212 35.632 151 144 0.02100399 10213 35.635 138 144 0.02295684 10214 35.638 153 144 0.02100399 10215 35.641 141 144 0.02295684 10216 35.644 145 144 0.02227668 10217 35.647 156 144 0.02040816 10218 35.650 152 144 0.02100399 10219 35.653 137 144 0.02366864 10220 35.656 141 144 0.02227668 10221 35.659 141 144 0.02227668 10222 35.662 146 144 0.0216263 10223 35.665 142 144 0.02227668 10224 35.668 159 144 0.01983733 10225 35.671 144 144 0.02227668 10226 35.674 145 144 0.02227668 10227 35.677 141 144 0.02227668 10228 35.680 147 144 0.0216263 10229 35.683 147 143 0.0216263 10230 35.686 133 143 0.02366864 10231 35.689 138 143 0.02295684 10232 35.692 139 143 0.02295684 10233 35.695 141 143 0.02227668 10234 35.698 145 143 0.02227668 10235 35.701 139 143 0.02295684 10236 35.704 135 143 0.02366864 10237 35.707 145 143 0.02227668 10238 35.710 146 143 0.0216263 10239 35.713 143 143 0.02227668 10240 35.716 139 143 0.02295684 10241 35.719 143 143 0.02227668 10242 35.722 141 143 0.02227668 10243 35.725 152 143 0.02100399 10244 35.728 141 143 0.02295684 10245 35.731 152 143 0.02100399 10246 35.734 150 143 0.02100399 10247 35.737 152 144 0.02100399 10248 35.740 144 144 0.02227668 10249 35.743 131 144 0.02441406 10250 35.746 142 144 0.02227668 10251 35.749 140 144 0.02295684 10252 35.752 160 144 0.01983733 10253 35.755 145 144 0.02227668 10254 35.758 146 144 0.0216263 10255 35.761 146 144 0.0216263 10256 35.764 136 145 0.02295684 10257 35.767 150 145 0.02100399 10258 35.770 142 145 0.02227668 10259 35.773 142 145 0.02227668 10260 35.776 146 145 0.0216263 10261 35.779 155 145 0.02040816 10262 35.782 139 145 0.02295684 10263 35.785 155 146 0.02040816 10264 35.788 149 146 0.0216263 10265 35.791 145 146 0.0216263 10266 35.794 146 146 0.0216263 10267 35.797 161 146 0.01983733 10268 35.800 155 146 0.02040816 10269 35.803 145 146 0.0216263 10270 35.806 144 146 0.02227668 10271 35.809 151 146 0.02100399 10272 35.812 148 146 0.0216263 10273 35.815 147 147 0.0216263 10274 35.818 160 147 0.01983733 10275 35.821 147 147 0.0216263 10276 35.824 145 147 0.0216263 10277 35.827 147 147 0.0216263 10278 35.830 140 147 0.02295684 10279 35.833 149 147 0.02100399 10280 35.836 145 147 0.02227668 10281 35.839 145 147 0.02227668 10282 35.842 156 147 0.02040816 10283 35.845 150 147 0.02100399 10284 35.848 145 147 0.0216263 10285 35.851 150 147 0.02100399 10286 35.854 153 147 0.02100399 10287 35.857 154 147 0.02040816 10288 35.860 140 147 0.02295684 10289 35.863 138 147 0.02295684 10290 35.866 144 147 0.02227668 10291 35.869 143 147 0.02227668 10292 35.872 141 147 0.02227668 10293 35.875 148 147 0.0216263 10294 35.878 142 147 0.02227668 10295 35.881 140 147 0.02295684 10296 35.884 157 147 0.02040816 10297 35.887 142 147 0.02227668 10298 35.890 141 147 0.02227668 10299 35.893 149 147 0.02100399 10300 35.896 167 147 0.01876525 10301 35.899 153 147 0.02100399 10302 35.902 149 146 0.02100399 10303 35.905 138 146 0.02295684 10304 35.908 145 146 0.0216263 10305 35.911 138 146 0.02295684 10306 35.914 155 146 0.02040816 10307 35.917 154 146 0.02040816 10308 35.920 148 146 0.0216263 10309 35.923 135 146 0.02366864 10310 35.926 158 146 0.02040816 10311 35.929 156 146 0.02040816 10312 35.932 150 146 0.02100399 10313 35.935 138 146 0.02295684 10314 35.938 146 146 0.0216263 10315 35.941 151 146 0.02100399 10316 35.944 147 145 0.0216263 10317 35.947 153 145 0.02040816 10318 35.950 148 145 0.0216263 10319 35.953 138 145 0.02295684 10320 35.956 139 145 0.02295684 10321 35.959 147 145 0.0216263 10322 35.962 153 145 0.02100399 10323 35.965 156 145 0.02040816 10324 35.968 149 145 0.02100399 10325 35.971 149 145 0.02100399 10326 35.974 152 145 0.02100399 10327 35.977 143 144 0.02227668 10328 35.980 142 144 0.02227668 10329 35.983 143 144 0.02227668 10330 35.986 151 144 0.02100399 10331 35.989 135 144 0.02366864 10332 35.992 143 144 0.02227668 10333 35.995 145 144 0.0216263 10334 35.998 140 143 0.02295684 10335 36.001 144 143 0.02227668 # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set. # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ #===end data_JLM1-222_2 # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety 'C8 H9 F2 N4 Ni, F6 Sb ' _chemical_formula_analytical ? _chemical_formula_sum ' C8 H9 F8 N4 Ni Sb ' _chemical_formula_weight 493.64 _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_length_neutron # include if applicable ? ? ? ? ? ? #============================================================================== # 6. POWDER SPECIMEN AND CRYSTAL DATA _symmetry_cell_setting Tetragonal _symmetry_space_group_name_Hall 'P 4ab 2ab -1ab' _symmetry_space_group_name_H-M 'P 4/n m m:1' _symmetry_Int_Tables_number 129 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 1/2-y,1/2+x,z 3 -x,-y,z 4 1/2+y,1/2-x,z 5 1/2+x,1/2-y,-z 6 y,x,-z 7 1/2-x,1/2+y,-z 8 -y,-x,-z 9 1/2-x,1/2-y,-z 10 y,-x,-z 11 1/2+x,1/2+y,-z 12 -y,x,-z 13 -x,y,z 14 1/2-y,1/2-x,z 15 x,-y,z 16 1/2+y,1/2+x,z _cell_length_a 9.9359(3) _cell_length_b 9.9359(3) _cell_length_c 6.4471(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 636.47(3) _cell_formula_units_Z 2 _cell_measurement_temperature 298 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_special_details ; ; # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection # The next five fields are character fields that describe the specimen. _pd_spec_mounting # This field should be # used to give details of the # container. ; capillary ; _pd_spec_mount_mode transmission # options are 'reflection' # or 'transmission' _pd_spec_shape cylinder # options are 'cylinder' # 'flat_sheet' or 'irregular' _pd_char_particle_morphology ? _pd_char_colour ? # use ICDD colour descriptions # The following three fields describe the preparation of the specimen. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? # The next four fields are normally only needed for transmission experiments. _exptl_absorpt_coefficient_mu ? # include if applicable _exptl_absorpt_correction_type ? # include if applicable _exptl_absorpt_process_details ? # include if applicable _exptl_absorpt_correction_T_min ? # include if applicable _exptl_absorpt_correction_T_max ? # include if applicable #============================================================================== # 7. EXPERIMENTAL DATA _exptl_special_details ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; X16C, National Synchrotron Light Source, Brookhaven National Laboratory ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; NIST standard reference material 1976(sintered plate of Al2O3) Well-isolated 7 reflections were used to calibrate wavelength and detector zero. ; _diffrn_ambient_temperature 298 _diffrn_source 'synchrotron' _diffrn_source_target ? _diffrn_source_type ? _diffrn_radiation_type synchrotron _diffrn_measurement_device_type 'Huber diffractometer' _diffrn_detector 'NaI scintillation counter' _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method step # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following six items are used for angular dispersive measurements only. _diffrn_radiation_wavelength 0.699301 _diffrn_radiation_monochromator 'Si(111) channel cut' # The following four items give details of the measured (not processed) # powder pattern. Angles are in degrees. _pd_meas_number_of_points 11668 _pd_meas_2theta_range_min 4.999 _pd_meas_2theta_range_max 40.0 _pd_meas_2theta_range_inc 0.003 # The following three items are used for time-of-flight measurements only. _pd_instr_dist_src/spec ? _pd_instr_dist_spec/detc ? _pd_meas_2theta_fixed ? #============================================================================== # 8. REFINEMENT DATA # Use the next field to give any special details about the fitting of the # powder pattern. _pd_proc_ls_special_details ; Molecules are defined as rigid bodies using the z-matrix function implemented in TOPAS-Academic. The same isotropic displacement parameters are assigned to all of the molecules. ; # The next three items are given as text. _pd_proc_ls_profile_function ; Simple_Axial_model function with Rp=9999,Rs=330 in TOPAS-Academic ; _pd_proc_ls_background_function ; 6 Pearson-Voight peaks and Chebyshev polynomial with 7 coefficients ; _pd_proc_ls_pref_orient_corr ; none ; _pd_proc_ls_prof_R_factor 0.0606 # 6.060(%) _pd_proc_ls_prof_wR_factor 0.07361 # 7.361(%) _pd_proc_ls_prof_wR_expected 0.03715 # 3.715(%) _refine_ls_R_I_factor ? _refine_ls_R_Fsqd_factor ? _refine_ls_R_factor_all ? _refine_special_details ; ? ; _refine_ls_matrix_type ? _refine_ls_weighting_scheme sigma # options are 'sigma'(based on measured su's) # or 'calc' (calculated weights) _refine_ls_weighting_details '1/(sigma*sigma)' _refine_ls_extinction_coef ? _refine_ls_number_parameters 99 _refine_ls_number_restraints ? _refine_ls_number_constraints ? # The following item is the same as CHI, the square root of 'CHI squared' _refine_ls_goodness_of_fit_all 1.981 _refine_ls_restrained_S_all ? _refine_ls_shift/su_max ? _refine_ls_shift/su_mean ? # The following four items apply to angular dispersive measurements. # 2theta minimum, maximum and increment (in degrees) are for the # intensities used in the refinement. _pd_proc_2theta_range_min 4.999 _pd_proc_2theta_range_max 40.0 _pd_proc_2theta_range_inc 0.003 _pd_proc_wavelength 0.699301 _pd_block_diffractogram_id JLM1-222_2 # The id used for the block containing # the powder pattern profile (section 11). # Give appropriate details in the next two text fields. _pd_proc_info_excluded_regions ? _pd_proc_info_data_reduction ? # The following items are used to identify the programs used. _computing_data_collection SPEC _computing_cell_refinement TOPAS-Academic _computing_data_reduction TOPAS-Academic _computing_structure_solution TOPAS-Academic _computing_structure_refinement TOPAS-Academic _computing_molecular_graphics ? _computing_publication_material ? #============================================================================== # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_B_iso_or_equiv Ni1 Ni 2 0 0 0 1 0 F3 F 4 0 0 0.3255(5) 1 0 N1 N 8 0.1511(2) 0.1511(2) 0 1 0 Sb Sb 2 0 0.5 0.4036(1) 1 0 F1 F 8 0.1909(2) 0.5 0.4095(5) 1 0 F2 F 2 0 0.5 0.6968(8) 1 0 F4 F 2 0 0.5 0.1174(8) 1 0 C1 C 16 0.2240(3) 0.1761(3) 0.1688(4) 1 0 H1 H 16 0.20153 0.1225 0.290239 1 1 H2 H 2 0 0 0.5 1 1 loop_ _atom_site_aniso_label _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 Ni1 0.01267(46) 0.01267(46) 0.01585(88) 0 0 0 F3 0.0318(26) 0.0238(24) 0.0081(21) 0 0 0 N1 0.0100(15) 0.0100(15) 0.0295(29) -0.0031(20) 0.0001(12) -0.0001(12) Sb 0.02677(29) 0.02677(29) 0.02592(56) 0 0 0 F1 0.0170(17) 0.0448(19) 0.0899(25) 0 0.0096(15) 0 F2 0.0612(29) 0.0612(29) 0.0139(36) 0 0 0 F4 0.1011(33) 0.1011(33) 0.0104(38) 0 0 0 C1 0.0167(20) 0.0165(20) 0.0238(22) -0.0067(14) 0.0014(16) 0.0013(17) # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set. # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ #============================================================================== #=============================================================================== # 10. MOLECULAR GEOMETRY _geom_special_details ; Bond distances, angles etc. have been calculated using the rounded fractional coordinates. All su's are estimated from the variances of the (full) variance-covariance matrix. The cell esds are taken into account in the estimation of distances, angles and torsion angles ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Sb F1 1.897(2) . 3_565 yes Sb F1 1.897(2) . 4_455 yes Sb F2 1.890(5) . . yes Sb F4 1.845(5) . . yes Sb F1 1.897(2) . . yes Sb F1 1.897(2) . 2_555 yes Ni1 N1 2.123(2) . 3_555 yes Ni1 F3 2.099(3) . 6_555 yes Ni1 F3 2.099(3) . . yes Ni1 N1 2.123(3) . . yes Ni1 N1 2.123(3) . 10_555 yes Ni1 N1 2.123(3) . 12_555 yes F3 H2 1.1300 . . no N1 C1 1.331(3) . . yes N1 C1 1.331(3) . 6_555 yes C1 C1 1.403(5) . 14_555 no C1 H1 0.9700 . . no loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag F1 Sb F4 91.15(10) 2_555 . . yes F1 Sb F4 91.15(10) 3_565 . . yes F1 Sb F4 91.15(10) 4_455 . . yes F1 Sb F1 89.98(1) 2_555 . 3_565 yes F1 Sb F1 177.71(15) 2_555 . 4_455 yes F1 Sb F1 89.98(1) 3_565 . 4_455 yes F1 Sb F2 88.85(10) 2_555 . . yes F1 Sb F2 88.85(10) . . . yes F1 Sb F4 91.15(10) . . . yes F1 Sb F1 89.98(1) . . 2_555 yes F1 Sb F1 177.71(15) . . 3_565 yes F1 Sb F1 89.98(1) . . 4_455 yes F2 Sb F4 179.98(5) . . . yes F1 Sb F2 88.85(10) 3_565 . . yes F1 Sb F2 88.85(10) 4_455 . . yes F3 Ni1 N1 90.00 6_555 . . yes F3 Ni1 N1 90.00 . . . yes F3 Ni1 N1 90.00 . . 3_555 yes F3 Ni1 F3 180.00 . . 6_555 yes F3 Ni1 N1 90.00 . . 10_555 yes F3 Ni1 N1 90.00 . . 12_555 yes N1 Ni1 N1 180.00 . . 3_555 yes N1 Ni1 N1 90.00(8) . . 10_555 yes N1 Ni1 N1 90.00(8) . . 12_555 yes F3 Ni1 N1 90.00 6_555 . 3_555 yes N1 Ni1 N1 90.00(8) 3_555 . 10_555 yes N1 Ni1 N1 90.00(8) 3_555 . 12_555 yes F3 Ni1 N1 90.00 6_555 . 10_555 yes F3 Ni1 N1 90.00 6_555 . 12_555 yes N1 Ni1 N1 180.00 10_555 . 12_555 yes Ni1 F3 H2 180.00 . . . no Ni1 N1 C1 121.12(15) . . . yes C1 N1 C1 117.8(2) . . 6_555 yes Ni1 N1 C1 121.12(15) . . 6_555 yes N1 C1 C1 121.1(2) . . 14_555 yes N1 C1 H1 116.00 . . . no C1 C1 H1 123.00 14_555 . . no 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 _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag F3 Ni1 N1 C1 17.18(19) . . . . no Ni1 N1 C1 C1 180.0(2) . . . 14_555 no # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set. # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ #============================================================================== # 11. POWDER PROFILE # Each refinement must be accompanied by a listing of the powder profile # in CIF format. Each listing should be sent as a separate file consisting # of one data block containing a single powder profile. The _pd_block_id # is used to associate each refinement with its corresponding powder profile # since it must match the field _pd_block_diffractogram_id in section 8. data_profile_JLM-222_2-profile _pd_block_id JLM1-222_2 loop_ _pd_proc_point_id _pd_proc_2theta_corrected # one of # _pd_proc_energy_incident # these # _pd_proc_d_spacing # three _pd_proc_intensity_net _pd_calc_intensity_net _pd_proc_ls_weight 1 4.999 151 158 0.00718184 2 5.002 174 158 0.00629882 3 5.005 176 158 0.00620001 4 5.008 160 158 0.00683013 5 5.011 149 158 0.00730514 6 5.014 171 158 0.0064 7 5.017 154 158 0.00706165 8 5.020 131 158 0.0084168 9 5.023 162 158 0.00671862 10 5.026 171 158 0.0064 11 5.029 164 158 0.00671862 12 5.032 170 158 0.0064 13 5.035 141 158 0.00769468 14 5.038 149 159 0.00730514 15 5.041 148 159 0.00743163 16 5.044 150 159 0.00730514 17 5.047 149 159 0.00730514 18 5.050 169 159 0.00650364 19 5.053 163 159 0.00671862 20 5.056 144 159 0.00756144 21 5.059 182 159 0.00600925 22 5.062 161 159 0.00683013 23 5.065 166 159 0.00660982 24 5.068 156 159 0.00706165 25 5.071 157 159 0.00694444 26 5.074 167 159 0.00660982 27 5.077 157 159 0.00694444 28 5.080 161 159 0.00683013 29 5.083 129 159 0.0084168 30 5.086 157 159 0.00694444 31 5.089 180 159 0.00610352 32 5.092 155 159 0.00706165 33 5.095 176 159 0.00620001 34 5.098 148 159 0.00730514 35 5.101 185 159 0.00591716 36 5.104 133 159 0.00826446 37 5.107 143 159 0.00769468 38 5.110 168 159 0.00650364 39 5.113 139 160 0.00783147 40 5.116 166 160 0.00660982 41 5.119 161 160 0.00683013 42 5.122 152 160 0.00718184 43 5.125 145 160 0.00756144 44 5.128 176 160 0.00620001 45 5.131 165 160 0.00660982 46 5.134 139 160 0.00783147 47 5.137 148 160 0.00730514 48 5.140 173 160 0.00629882 49 5.143 174 160 0.00629882 50 5.146 166 160 0.00660982 51 5.149 169 160 0.00650364 52 5.152 160 160 0.00683013 53 5.155 176 160 0.00620001 54 5.158 178 160 0.00610352 55 5.161 160 160 0.00683013 56 5.164 167 160 0.00650364 57 5.167 174 160 0.00629882 58 5.170 142 160 0.00769468 59 5.173 181 160 0.00600925 60 5.176 180 160 0.00610352 61 5.179 153 160 0.00718184 62 5.182 157 160 0.00694444 63 5.185 171 160 0.0064 64 5.188 173 160 0.00629882 65 5.191 178 160 0.00610352 66 5.194 171 160 0.0064 67 5.197 150 160 0.00730514 68 5.200 161 160 0.00671862 69 5.203 152 160 0.00718184 70 5.206 159 160 0.00683013 71 5.209 172 160 0.00629882 72 5.212 168 160 0.00650364 73 5.215 156 160 0.00706165 74 5.218 141 160 0.00769468 75 5.221 154 160 0.00706165 76 5.224 156 160 0.00694444 77 5.227 174 160 0.00629882 78 5.230 154 160 0.00706165 79 5.233 165 160 0.00660982 80 5.236 176 160 0.00620001 81 5.239 167 160 0.00650364 82 5.242 150 160 0.00730514 83 5.245 157 160 0.00694444 84 5.248 181 160 0.00600925 85 5.251 170 160 0.0064 86 5.254 157 160 0.00694444 87 5.257 148 160 0.00743163 88 5.260 175 160 0.00620001 89 5.263 160 160 0.00683013 90 5.266 183 160 0.00591716 91 5.269 157 160 0.00694444 92 5.272 160 160 0.00683013 93 5.275 168 160 0.00650364 94 5.278 158 160 0.00694444 95 5.281 169 160 0.00650364 96 5.284 171 160 0.0064 97 5.287 150 160 0.00730514 98 5.290 168 160 0.00650364 99 5.293 187 160 0.00582717 100 5.296 162 160 0.00671862 101 5.299 148 160 0.00743163 102 5.302 181 160 0.00600925 103 5.305 163 160 0.00671862 104 5.308 160 160 0.00683013 105 5.311 158 160 0.00694444 106 5.314 153 160 0.00718184 107 5.317 160 160 0.00683013 108 5.320 144 160 0.00756144 109 5.323 171 160 0.0064 110 5.326 152 160 0.00718184 111 5.329 157 160 0.00694444 112 5.332 171 160 0.0064 113 5.335 153 160 0.00706165 114 5.338 157 160 0.00694444 115 5.341 140 160 0.00783147 116 5.344 147 160 0.00743163 117 5.347 165 160 0.00660982 118 5.350 155 160 0.00706165 119 5.353 153 160 0.00718184 120 5.356 160 160 0.00683013 121 5.359 172 160 0.00629882 122 5.362 144 160 0.00756144 123 5.365 125 160 0.00873439 124 5.368 164 160 0.00660982 125 5.371 176 160 0.00620001 126 5.374 138 160 0.00797194 127 5.377 177 160 0.00620001 128 5.380 165 160 0.00660982 129 5.383 173 160 0.00629882 130 5.386 146 160 0.00743163 131 5.389 161 160 0.00683013 132 5.392 161 160 0.00683013 133 5.395 154 160 0.00706165 134 5.398 152 160 0.00718184 135 5.401 143 160 0.00756144 136 5.404 151 160 0.00718184 137 5.407 150 160 0.00730514 138 5.410 161 160 0.00683013 139 5.413 181 160 0.00600925 140 5.416 140 160 0.00783147 141 5.419 148 160 0.00743163 142 5.422 158 160 0.00694444 143 5.425 177 160 0.00620001 144 5.428 149 160 0.00730514 145 5.431 166 160 0.00660982 146 5.434 184 160 0.00591716 147 5.437 150 160 0.00730514 148 5.440 180 160 0.00610352 149 5.443 161 160 0.00671862 150 5.446 172 160 0.00629882 151 5.449 160 160 0.00683013 152 5.452 132 160 0.00826446 153 5.455 173 160 0.00629882 154 5.458 167 160 0.00650364 155 5.461 186 160 0.00582717 156 5.464 177 160 0.00620001 157 5.467 158 160 0.00694444 158 5.470 138 160 0.00797194 159 5.473 161 160 0.00683013 160 5.476 184 160 0.00591716 161 5.479 177 160 0.00620001 162 5.482 161 160 0.00683013 163 5.485 161 160 0.00683013 164 5.488 169 160 0.00650364 165 5.491 146 160 0.00743163 166 5.494 171 160 0.0064 167 5.497 165 160 0.00660982 168 5.500 188 160 0.00582717 169 5.503 164 160 0.00660982 170 5.506 158 161 0.00694444 171 5.509 170 161 0.0064 172 5.512 162 162 0.00671862 173 5.515 179 163 0.00610352 174 5.518 192 165 0.00565323 175 5.521 172 168 0.0064 176 5.524 179 172 0.00610352 177 5.527 191 177 0.00573921 178 5.530 177 182 0.00620001 179 5.533 187 188 0.00582717 180 5.536 169 193 0.00650364 181 5.539 216 199 0.00502993 182 5.542 204 205 0.00532793 183 5.545 228 212 0.00475624 184 5.548 214 218 0.00510204 185 5.551 220 225 0.00495933 186 5.554 208 232 0.005251 187 5.557 207 239 0.005251 188 5.560 211 246 0.00517572 189 5.563 222 254 0.00489021 190 5.566 238 262 0.00456538 191 5.569 243 270 0.0045043 192 5.572 264 278 0.00410914 193 5.575 273 287 0.00400577 194 5.578 303 296 0.00358564 195 5.581 282 306 0.00385788 196 5.584 289 316 0.00376378 197 5.587 305 326 0.00358564 198 5.590 291 337 0.00376378 199 5.593 310 348 0.00350128 200 5.596 349 360 0.003121 201 5.599 347 373 0.00315617 202 5.602 342 386 0.00319193 203 5.605 356 400 0.00305241 204 5.608 348 415 0.003121 205 5.611 380 431 0.00285968 206 5.614 436 447 0.0025 207 5.617 452 463 0.00240292 208 5.620 472 481 0.00231139 209 5.623 482 499 0.00226757 210 5.626 500 519 0.0021836 211 5.629 509 540 0.00214335 212 5.632 550 563 0.00197531 213 5.635 566 587 0.00192367 214 5.638 571 613 0.0019069 215 5.641 652 641 0.00166597 216 5.644 663 672 0.0016391 217 5.647 696 705 0.00156228 218 5.650 810 742 0.00134176 219 5.653 785 782 0.00139229 220 5.656 863 826 0.00126645 221 5.659 942 876 0.00115693 222 5.662 943 932 0.00115693 223 5.665 1061 996 0.00102728 224 5.668 1104 1071 0.00098888 225 5.671 1262 1158 0.00086505 226 5.674 1319 1263 0.00082574 227 5.677 1516 1392 0.00071876 228 5.680 1649 1561 0.00066085 229 5.683 1779 1796 0.00061269 230 5.686 2116 2139 0.00051419 231 5.689 2515 2605 0.00043222 232 5.692 2870 3052 0.00037998 233 5.695 3497 3127 0.00031105 234 5.698 2833 2543 0.00038447 235 5.701 1561 1601 0.00069618 236 5.704 647 846 0.00167966 237 5.707 393 451 0.00277008 238 5.710 294 299 0.00371802 239 5.713 225 246 0.00482253 240 5.716 218 223 0.00502993 241 5.719 242 210 0.0045043 242 5.722 206 200 0.00532793 243 5.725 192 193 0.00565323 244 5.728 183 187 0.00591716 245 5.731 175 183 0.00620001 246 5.734 175 179 0.00620001 247 5.737 189 176 0.00573921 248 5.740 164 174 0.00660982 249 5.743 175 172 0.00620001 250 5.746 170 170 0.0064 251 5.749 163 169 0.00671862 252 5.752 175 168 0.00620001 253 5.755 176 166 0.00620001 254 5.758 153 165 0.00706165 255 5.761 188 164 0.00573921 256 5.764 161 164 0.00671862 257 5.767 178 163 0.00610352 258 5.770 157 162 0.00694444 259 5.773 158 161 0.00694444 260 5.776 164 161 0.00660982 261 5.779 164 160 0.00660982 262 5.782 166 159 0.00650364 263 5.785 182 158 0.00600925 264 5.788 150 157 0.00730514 265 5.791 153 157 0.00718184 266 5.794 171 157 0.0064 267 5.797 174 157 0.00629882 268 5.800 170 157 0.0064 269 5.803 167 157 0.00650364 270 5.806 174 157 0.00629882 271 5.809 148 156 0.00730514 272 5.812 164 156 0.00660982 273 5.815 176 156 0.00620001 274 5.818 157 156 0.00694444 275 5.821 178 156 0.00610352 276 5.824 150 156 0.00730514 277 5.827 152 156 0.00718184 278 5.830 150 156 0.00730514 279 5.833 130 156 0.0084168 280 5.836 167 156 0.00650364 281 5.839 178 156 0.00610352 282 5.842 155 156 0.00706165 283 5.845 160 156 0.00683013 284 5.848 168 156 0.00650364 285 5.851 149 156 0.00730514 286 5.854 161 156 0.00671862 287 5.857 149 156 0.00730514 288 5.860 154 156 0.00706165 289 5.863 172 156 0.00629882 290 5.866 163 156 0.00671862 291 5.869 150 156 0.00730514 292 5.872 150 156 0.00730514 293 5.875 154 156 0.00706165 294 5.878 149 156 0.00730514 295 5.881 164 156 0.00660982 296 5.884 173 156 0.00629882 297 5.887 185 156 0.00591716 298 5.890 174 156 0.00629882 299 5.893 147 156 0.00743163 300 5.896 149 156 0.00730514 301 5.899 157 156 0.00694444 302 5.902 151 156 0.00718184 303 5.905 157 156 0.00694444 304 5.908 173 156 0.00629882 305 5.911 169 156 0.0064 306 5.914 176 156 0.00620001 307 5.917 168 156 0.00650364 308 5.920 160 156 0.00683013 309 5.923 142 156 0.00769468 310 5.926 143 156 0.00756144 311 5.929 151 156 0.00718184 312 5.932 140 155 0.00783147 313 5.935 185 155 0.00591716 314 5.938 163 155 0.00671862 315 5.941 153 155 0.00718184 316 5.944 135 155 0.00811622 317 5.947 162 155 0.00671862 318 5.950 165 155 0.00660982 319 5.953 172 155 0.00629882 320 5.956 163 155 0.00671862 321 5.959 164 155 0.00660982 322 5.962 166 155 0.00650364 323 5.965 148 155 0.00730514 324 5.968 168 155 0.00650364 325 5.971 155 155 0.00706165 326 5.974 152 155 0.00718184 327 5.977 161 155 0.00671862 328 5.980 135 155 0.00811622 329 5.983 162 155 0.00671862 330 5.986 155 155 0.00694444 331 5.989 157 155 0.00694444 332 5.992 152 155 0.00718184 333 5.995 158 155 0.00683013 334 5.998 145 155 0.00743163 335 6.001 163 155 0.00671862 336 6.004 174 155 0.00629882 337 6.007 164 155 0.00660982 338 6.010 168 155 0.00650364 339 6.013 165 155 0.00660982 340 6.016 151 155 0.00718184 341 6.019 153 155 0.00718184 342 6.022 156 155 0.00694444 343 6.025 181 155 0.00600925 344 6.028 166 155 0.00650364 345 6.031 150 155 0.00730514 346 6.034 151 155 0.00718184 347 6.037 145 155 0.00743163 348 6.040 150 155 0.00730514 349 6.043 152 155 0.00718184 350 6.046 160 155 0.00683013 351 6.049 168 155 0.00650364 352 6.052 159 155 0.00683013 353 6.055 159 155 0.00683013 354 6.058 149 155 0.00730514 355 6.061 178 155 0.00610352 356 6.064 156 155 0.00694444 357 6.067 161 155 0.00671862 358 6.070 153 155 0.00706165 359 6.073 173 155 0.00629882 360 6.076 170 155 0.0064 361 6.079 158 155 0.00683013 362 6.082 168 155 0.00650364 363 6.085 135 155 0.00797194 364 6.088 155 155 0.00694444 365 6.091 164 155 0.00660982 366 6.094 154 155 0.00706165 367 6.097 159 155 0.00683013 368 6.100 162 155 0.00671862 369 6.103 186 155 0.00582717 370 6.106 189 155 0.00573921 371 6.109 167 155 0.00650364 372 6.112 158 155 0.00683013 373 6.115 163 155 0.00671862 374 6.118 165 155 0.00660982 375 6.121 168 155 0.00650364 376 6.124 127 155 0.00857339 377 6.127 177 155 0.00620001 378 6.130 165 155 0.00660982 379 6.133 151 155 0.00718184 380 6.136 153 155 0.00706165 381 6.139 165 155 0.00660982 382 6.142 158 155 0.00683013 383 6.145 156 155 0.00694444 384 6.148 164 155 0.00660982 385 6.151 149 155 0.00730514 386 6.154 151 155 0.00718184 387 6.157 151 155 0.00718184 388 6.160 164 155 0.00660982 389 6.163 150 155 0.00730514 390 6.166 154 155 0.00706165 391 6.169 169 156 0.0064 392 6.172 156 156 0.00694444 393 6.175 163 156 0.00671862 394 6.178 167 156 0.00650364 395 6.181 143 156 0.00756144 396 6.184 158 156 0.00683013 397 6.187 143 156 0.00756144 398 6.190 165 156 0.00660982 399 6.193 190 156 0.00573921 400 6.196 156 156 0.00694444 401 6.199 168 156 0.00650364 402 6.202 149 156 0.00730514 403 6.205 129 156 0.0084168 404 6.208 155 156 0.00706165 405 6.211 151 156 0.00718184 406 6.214 156 156 0.00694444 407 6.217 165 156 0.00660982 408 6.220 163 156 0.00671862 409 6.223 156 156 0.00694444 410 6.226 163 156 0.00671862 411 6.229 169 156 0.0064 412 6.232 167 156 0.00650364 413 6.235 156 156 0.00694444 414 6.238 167 156 0.00650364 415 6.241 146 156 0.00743163 416 6.244 165 156 0.00660982 417 6.247 152 156 0.00718184 418 6.250 150 156 0.00718184 419 6.253 144 156 0.00756144 420 6.256 168 156 0.00650364 421 6.259 171 157 0.00629882 422 6.262 156 157 0.00694444 423 6.265 152 157 0.00718184 424 6.268 145 157 0.00743163 425 6.271 150 157 0.00718184 426 6.274 152 157 0.00718184 427 6.277 173 157 0.00629882 428 6.280 145 157 0.00743163 429 6.283 175 157 0.00620001 430 6.286 163 157 0.00671862 431 6.289 134 157 0.00811622 432 6.292 155 157 0.00706165 433 6.295 160 157 0.00683013 434 6.298 160 157 0.00683013 435 6.301 153 157 0.00706165 436 6.304 147 157 0.00743163 437 6.307 180 157 0.00600925 438 6.310 151 157 0.00718184 439 6.313 145 158 0.00756144 440 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10.627 243 253 0.00432825 1878 10.630 278 253 0.00381039 1879 10.633 262 253 0.00405696 1880 10.636 270 253 0.00390625 1881 10.639 240 254 0.00438577 1882 10.642 264 254 0.00400577 1883 10.645 248 254 0.00427186 1884 10.648 245 254 0.00432825 1885 10.651 264 254 0.00400577 1886 10.654 283 255 0.00376378 1887 10.657 233 255 0.00456538 1888 10.660 284 255 0.00371802 1889 10.663 261 256 0.00405696 1890 10.666 246 256 0.00432825 1891 10.669 250 256 0.00421656 1892 10.672 261 257 0.00405696 1893 10.675 285 257 0.00371802 1894 10.678 244 258 0.00432825 1895 10.681 253 259 0.00416233 1896 10.684 265 260 0.00400577 1897 10.687 240 263 0.00438577 1898 10.690 248 263 0.00427186 1899 10.693 256 263 0.00410914 1900 10.696 245 264 0.00432825 1901 10.699 271 264 0.00390625 1902 10.702 255 264 0.00416233 1903 10.705 268 264 0.00395554 1904 10.708 236 265 0.0045043 1905 10.711 270 265 0.00390625 1906 10.714 262 265 0.00405696 1907 10.717 253 266 0.00416233 1908 10.720 291 266 0.00362897 1909 10.723 260 267 0.00405696 1910 10.726 263 267 0.00400577 1911 10.729 264 267 0.00400577 1912 10.732 264 268 0.00400577 1913 10.735 237 268 0.00444444 1914 10.738 267 269 0.00395554 1915 10.741 259 269 0.00405696 1916 10.744 244 270 0.00432825 1917 10.747 271 270 0.00390625 1918 10.750 289 271 0.00367309 1919 10.753 245 271 0.00432825 1920 10.756 281 272 0.00376378 1921 10.759 252 273 0.00421656 1922 10.762 256 273 0.00410914 1923 10.765 291 274 0.00362897 1924 10.768 277 275 0.00381039 1925 10.771 266 275 0.00395554 1926 10.774 279 276 0.00376378 1927 10.777 257 277 0.00410914 1928 10.780 252 278 0.00421656 1929 10.783 276 279 0.00385788 1930 10.786 269 280 0.00390625 1931 10.789 248 281 0.00427186 1932 10.792 268 282 0.00395554 1933 10.795 256 283 0.00410914 1934 10.798 289 285 0.00367309 1935 10.801 275 286 0.00385788 1936 10.804 273 287 0.00385788 1937 10.807 308 289 0.00341986 1938 10.810 252 291 0.00421656 1939 10.813 290 293 0.00362897 1940 10.816 278 295 0.00381039 1941 10.819 304 297 0.00346021 1942 10.822 284 299 0.00371802 1943 10.825 280 302 0.00376378 1944 10.828 262 304 0.00400577 1945 10.831 276 308 0.00381039 1946 10.834 306 311 0.00346021 1947 10.837 314 315 0.00334124 1948 10.840 291 319 0.00362897 1949 10.843 300 324 0.00350128 1950 10.846 321 329 0.00330295 1951 10.849 333 336 0.00315617 1952 10.852 333 343 0.00315617 1953 10.855 351 352 0.00301896 1954 10.858 344 363 0.00308642 1955 10.861 408 377 0.00257672 1956 10.864 373 394 0.00282933 1957 10.867 407 417 0.00260308 1958 10.870 387 445 0.00274115 1959 10.873 452 478 0.00233378 1960 10.876 499 517 0.00212364 1961 10.879 520 560 0.00202906 1962 10.882 564 608 0.00187403 1963 10.885 639 660 0.00165246 1964 10.888 706 717 0.00149074 1965 10.891 675 777 0.00156228 1966 10.894 810 843 0.00130329 1967 10.897 916 913 0.0011491 1968 10.900 942 989 0.00111856 1969 10.903 1010 1071 0.00104733 1970 10.906 1165 1160 0.00090724 1971 10.909 1253 1257 0.00084016 1972 10.912 1365 1363 0.0007716 1973 10.915 1517 1479 0.00069618 1974 10.918 1697 1607 0.00062189 1975 10.921 1900 1750 0.00055625 1976 10.924 2073 1909 0.00050956 1977 10.927 2292 2088 0.0004605 1978 10.930 2452 2293 0.00043043 1979 10.933 2831 2530 0.00037268 1980 10.936 3037 2807 0.00034807 1981 10.939 3320 3134 0.00031774 1982 10.942 3630 3517 0.00029121 1983 10.945 3921 3953 0.00026963 1984 10.948 4255 4420 0.000248 1985 10.951 4567 4856 0.00023097 1986 10.954 4947 5150 0.00021312 1987 10.957 5032 5141 0.00021004 1988 10.960 4655 4708 0.00022681 1989 10.963 3795 3935 0.00027778 1990 10.966 2868 3077 0.0003684 1991 10.969 2163 2332 0.00048731 1992 10.972 1668 1763 0.0006313 1993 10.975 1317 1360 0.00080251 1994 10.978 1047 1086 0.00100781 1995 10.981 926 902 0.00114134 1996 10.984 749 776 0.00141331 1997 10.987 675 687 0.00156228 1998 10.990 607 621 0.00173611 1999 10.993 491 570 0.00214335 2000 10.996 477 529 0.00220415 2001 10.999 447 496 0.00235649 2002 11.002 427 469 0.00247519 2003 11.005 367 446 0.00289051 2004 11.008 377 427 0.00279947 2005 11.011 356 410 0.00295369 2006 11.014 330 396 0.00319193 2007 11.017 381 384 0.00277008 2008 11.020 368 373 0.00285968 2009 11.023 344 364 0.00305241 2010 11.026 347 356 0.00305241 2011 11.029 328 348 0.00322831 2012 11.032 338 342 0.003121 2013 11.035 332 336 0.00319193 2014 11.038 346 331 0.00305241 2015 11.041 309 326 0.00341986 2016 11.044 323 322 0.00326531 2017 11.047 294 318 0.00358564 2018 11.050 301 314 0.00350128 2019 11.053 283 311 0.00371802 2020 11.056 284 308 0.00371802 2021 11.059 277 306 0.00381039 2022 11.062 299 303 0.00354308 2023 11.065 337 301 0.003121 2024 11.068 303 299 0.00346021 2025 11.071 304 297 0.00346021 2026 11.074 322 295 0.00326531 2027 11.077 316 293 0.00334124 2028 11.080 307 292 0.00341986 2029 11.083 294 290 0.00358564 2030 11.086 320 289 0.00330295 2031 11.089 294 288 0.00358564 2032 11.092 323 286 0.00326531 2033 11.095 303 285 0.00350128 2034 11.098 316 284 0.00334124 2035 11.101 294 283 0.00358564 2036 11.104 324 282 0.00326531 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315 338 0.00334124 2102 11.302 316 344 0.00334124 2103 11.305 343 351 0.00308642 2104 11.308 392 358 0.00268464 2105 11.311 422 368 0.0025 2106 11.314 388 379 0.00271267 2107 11.317 409 393 0.00257672 2108 11.320 444 413 0.00237954 2109 11.323 474 443 0.00222499 2110 11.326 533 493 0.00197531 2111 11.329 569 569 0.00185791 2112 11.332 575 674 0.00182628 2113 11.335 714 804 0.00147929 2114 11.338 796 953 0.00132231 2115 11.341 882 1118 0.0011973 2116 11.344 1030 1297 0.00102073 2117 11.347 1231 1488 0.00085496 2118 11.350 1351 1694 0.00078025 2119 11.353 1584 1915 0.00066426 2120 11.356 1809 2154 0.00058344 2121 11.359 2063 2411 0.00050956 2122 11.362 2420 2690 0.00043584 2123 11.365 2585 2994 0.00040812 2124 11.368 2990 3327 0.000352 2125 11.371 3463 3692 0.00030351 2126 11.374 3859 4096 0.00027321 2127 11.377 4358 4546 0.00024187 2128 11.380 5081 5052 0.00020703 2129 11.383 5820 5625 0.00018114 2130 11.386 6574 6283 0.00016023 2131 11.389 7477 7048 0.00014072 2132 11.392 8876 7956 0.00011866 2133 11.395 10022 9062 0.00010498 2134 11.398 12022 10463 8.751e-005 2135 11.401 13543 12327 7.776e-005 2136 11.404 14866 14878 7.085e-005 2137 11.407 16255 18186 6.472e-005 2138 11.410 19308 21656 5.455e-005 2139 11.413 22864 23603 4.603e-005 2140 11.416 25334 21816 4.157e-005 2141 11.419 20726 16229 5.08e-005 2142 11.422 10500 9990 0.0001002 2143 11.425 5637 5499 0.00018663 2144 11.428 3028 3035 0.00034807 2145 11.431 1974 1900 0.00053336 2146 11.434 1375 1390 0.00076734 2147 11.437 1062 1123 0.00098888 2148 11.440 901 953 0.00116484 2149 11.443 739 831 0.00142399 2150 11.446 686 739 0.00153787 2151 11.449 622 668 0.00169351 2152 11.452 564 612 0.00187403 2153 11.455 523 567 0.0020109 2154 11.458 474 531 0.00222499 2155 11.461 476 500 0.00220415 2156 11.464 471 474 0.00222499 2157 11.467 483 453 0.0021836 2158 11.470 409 434 0.00257672 2159 11.473 434 418 0.00242665 2160 11.476 396 404 0.00265703 2161 11.479 413 392 0.00255076 2162 11.482 386 381 0.00274115 2163 11.485 362 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39.976 355 346 0.00889996 11661 39.979 367 361 0.00857339 11662 39.982 395 376 0.00797194 11663 39.985 400 391 0.00783147 11664 39.988 415 405 0.00756144 11665 39.991 422 416 0.00743163 11666 39.994 437 423 0.00718184 11667 39.997 451 424 0.00706165 11668 40.000 432 420 0.00730514 # The following lines are used to test the character set of files sent by # network email or other means. They are not part of the CIF data set. # abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789 # !@#$%^&*()_+{}:"~<>?|\-=[];'`,./