# Electronic Supplementary Material (ESI) for Dalton Transactions # This journal is © The Royal Society of Chemistry 2012 data_global _journal_name_full 'Dalton Trans.' _journal_coden_cambridge 0222 _journal_coden_ASTM ? _journal_coeditor_code ? _journal_coeditor_name ? _journal_coeditor_notes ; ? ; #============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_data_validation_number ? _journal_date_accepted ? _journal_date_from_coeditor ? _journal_date_printers_final ? _journal_date_printers_first ? _journal_date_proofs_in ? _journal_date_proofs_out ? _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_paper_category ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_volume ? _journal_year ? loop_ _publ_author_footnote _publ_author_address ; ? ; ; ? ; _publ_contact_author_address # Address of author for correspondence ; ? ; _publ_contact_author_email zvereva@mig.phys.msu.ru _publ_contact_author_fax ? _publ_contact_author_phone ? #============================================================================= # this information describes the project, paper etc. for the CIF # # Acta Cryst. Section C papers and editorial correspondence is generated # # from the information in this section # # # # (from) CIF submission form for Rietveld refinements (Acta Cryst. C) # # Version 14 December 1998 # #============================================================================= # 1. SUBMISSION DETAILS _publ_contact_author_name 'Elena Zvereva' # Name of author for correspondence _publ_contact_letter ; ? ; _publ_requested_category ? # Acta C: one of CI/CM/CO/FI/FM/FO _publ_requested_coeditor_name ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_author_name E.Zvereva data_LI4FE_publ _database_code_depnum_ccdc_archive 'CCDC 895907' #TrackingRef '- Li4FeSbO6_Final_structure 1.cif' _pd_block_id 2012-03-21T19:13|LI4FE|| _audit_creation_method 'from EXP file using GSAS2CIF' _audit_creation_date 2012-03-21T19:13 _audit_update_record ; 2012-03-21T19:13 Initial CIF as created by GSAS2CIF ; _publ_section_title_footnote ; ? ; #============================================================================== # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep # Details of the preparation of the sample(s) # should be given here. ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; ? ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #============================================================================= # 5. OVERALL REFINEMENT & COMPUTING DETAILS _refine_special_details ; ? ; _pd_proc_ls_special_details ; ? ; # The following items are used to identify the programs used. _computing_molecular_graphics ? _computing_publication_material ? _refine_ls_weighting_scheme ? _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _refine_ls_number_constraints ? _refine_ls_restrained_S_all ? _refine_ls_restrained_S_obs ? #============================================================================== # 6. SAMPLE PREPARATION DATA # (In the unusual case where multiple samples are used in a single # Rietveld study, this information should be moved into the phase # blocks) # The following three fields describe the preparation of the material. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? _pd_char_colour ? # use ICDD colour descriptions _refine_ls_shift/su_max 0.08 _refine_ls_shift/su_mean 0.01 _computing_structure_refinement GSAS _refine_ls_number_parameters 11 _refine_ls_goodness_of_fit_all 2.52 _refine_ls_number_restraints 0 _refine_ls_matrix_type full #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ; ? ; _chemical_name_common Li4FeSbO6 _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall ? _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _cell_measurement_temperature ? _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution ? #============================================================================== # 8. Phase information from GSAS _pd_phase_name Li4FeSbO6 _cell_length_a 5.1706(5) _cell_length_b 8.9382(5) _cell_length_c 5.16350(24) _cell_angle_alpha 90.0 _cell_angle_beta 109.490(6) _cell_angle_gamma 90.0 _cell_volume 224.961(15) _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M C2/m loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x,+y,-z -1 -x,-y,-z -2 +x,-y,+z 101 +x+1/2,+y+1/2,+z 102 -x+1/2,+y+1/2,-z -101 -x+1/2,-y+1/2,-z -102 +x+1/2,-y+1/2,+z # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Sb SB1 0.0 0.0 0.0 0.759(7) Uiso 0.0378(30) 2 Fe FE1 0.0 0.3383(30) 0.0 0.3795(10) Uiso 0.00273(23) 4 Li LI1 0.0 0.3383(35) 0.0 0.5(10) Uiso 0.00273(7) 4 Li LI2 0.0 0.14817(4) 0.5 1.0 Uiso 0.02844(5) 4 Li LI3 0.0 0.5 0.5 1.0 Uiso 0.03537(8) 2 O O1 0.79652(25) 0.0 0.22453(30) 1.0 Uiso 0.01389(23) 4 O O2 0.2192(17) 0.1499(10) 0.23204(16) 1.0 Uiso 0.00163(12) 8 Fe FE2 0.0 0.0 0.0 0.241(16) Uiso 0.0378(14) 2 Sb SB2 0.0 0.3383(32) 0.0 0.1205(29) Uiso 0.00273(15) 4 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum 'Fe Li4 O6 Sb' _chemical_formula_weight 301.35 _cell_formula_units_Z 2 # MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag ? ? ? ? ? ? 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 ? ? ? ? ? ? ? ? # Powder diffraction data for histogram 1 #============================================================================== # 9. INSTRUMENT CHARACTERIZATION _exptl_special_details ; ? ; # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; ? ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; ? ; _diffrn_ambient_temperature ? _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method ? # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following two items identify the program(s) used (if appropriate). _computing_data_collection ? _computing_data_reduction ? # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator ? # The following items are used to define the size of the instrument. # Not all distances are appropriate for all instrument types. _pd_instr_dist_src/mono ? _pd_instr_dist_mono/spec ? _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc ? # 10. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; ? ; _pd_spec_mount_mode ? # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Sb 2.0 0.000 0.000 19.6418 5.30340 19.0455 0.46070 5.03710 27.9074 2.68270 75.2825 4.59090 International_Tables_Vol_C Fe 2.0 0.000 0.000 11.7695 4.76110 7.35730 0.30720 3.52220 15.3535 2.30450 76.8805 1.03690 International_Tables_Vol_C Li 8.0 0.000 0.000 1.12820 3.95460 0.75080 1.05240 0.61750 85.3905 0.46530 168.261 0.03770 International_Tables_Vol_C O 12.0 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.7 loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_type _diffrn_radiation_wavelength_id 1.540600 1.000 K\a~1~ 1 1.544300 0.500 K\a~2~ 2 _pd_proc_ls_prof_R_factor 0.1035 _pd_proc_ls_prof_wR_factor 0.1458 _pd_proc_ls_prof_wR_expected 0.0580 _refine_ls_R_Fsqd_factor 0.14085 _pd_proc_ls_background_function ; GSAS Background function number 8 with 8 terms. Reciprocal interpolation 1: 300.659 2: 304.701 3: 410.037 4: 461.332 5: 240.262 6: 150.632 7: 121.024 8: 68.8931 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_ls_pref_orient_corr ; March-Dollase AXIS 1 Ratio= 1.04901 h= 0.000 k= 0.000 l= 1.000 Prefered orientation correction range: Min= 0.86628, Max= 1.07441 ; _pd_proc_ls_profile_function ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 1.721 #2(GV) = 231.586 #3(GW) = -17.318 #4(LX) = 0.764 #5(LY) = 1.020 #6(trns) = -0.056 #7(asym) = -1.0177 #8(shft) = -0.0297 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 1.389 #14(L22) = 0.017 #15(L33) = 0.028 #16(L12) = -0.360 #17(L13) = -0.358 #18(L23) = 0.317 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_peak_cutoff 0.01000 _pd_proc_info_datetime 2012-03-21T19:13:06 _pd_calc_method 'Rietveld Refinement' #---- raw/calc data loop ----- _pd_meas_2theta_range_min 6.02 _pd_meas_2theta_range_max 100.0 _pd_meas_2theta_range_inc 0.02 _pd_proc_2theta_range_min 6.02 _pd_proc_2theta_range_max 100.0 _pd_proc_2theta_range_inc 0.02 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 705.0 0.0 0.0 . 635.0 0.0 0.0 . 660.0 0.0 0.0 . 655.0 0.0 0.0 . 662.0 0.0 0.0 . 596.0 0.0 0.0 . 637.0 0.0 0.0 . 684.0 0.0 0.0 . 621.0 0.0 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0.002618 141.35048 181.99265 399.0 0.002506 141.30899 183.59579 433.0 0.002309 141.26755 184.56119 403.0 0.002481 141.22614 184.91663 411.0 0.002433 141.18477 184.94101 404.0 0.002475 141.14345 184.40190 391.0 0.002558 141.10217 183.60149 383.0 0.002611 141.06093 182.68111 358.0 0.002793 141.01973 181.79732 352.0 0.002841 140.97856 181.09961 349.0 0.002865 140.93744 180.70546 350.0 0.002857 140.89636 180.68930 306.0 0.003268 140.85532 181.08391 336.0 0.002976 140.81432 181.88716 306.0 0.003268 140.77338 183.06786 353.0 0.002833 140.73245 184.57214 330.0 0.003030 140.69157 186.32799 347.0 0.002882 140.65073 188.24866 381.0 0.002625 140.60994 190.23590 353.0 0.002833 140.56917 192.18312 377.0 0.002653 140.52846 193.98175 342.0 0.002924 140.48778 195.52882 385.0 0.002597 140.44714 196.73811 378.0 0.002646 140.40656 197.54962 405.0 0.002469 140.36598 197.93452 380.0 0.002632 140.32547 198.81828 346.0 0.002890 140.28499 198.40938 336.0 0.002976 140.24455 197.65248 375.0 0.002667 140.20416 196.60776 347.0 0.002882 140.16380 195.34294 375.0 0.002667 140.12347 194.38492 346.0 0.002890 140.08321 192.90642 345.0 0.002899 140.04295 191.41418 296.0 0.003378 140.00275 189.96281 332.0 0.003012 139.96259 188.59525 315.0 0.003175 139.92247 187.34276 291.0 0.003436 139.88239 186.22601 298.0 0.003356 139.84233 185.25699 278.0 0.00360 139.80232 184.44092 268.0 0.00373 139.76236 183.77805 284.0 0.00352 139.72244 183.26514 267.0 0.00375 139.68254 182.89653 268.0 0.00373 139.64268 182.66519 240.0 0.00417 139.60287 182.56328 240.0 0.00417 139.56310 182.58258 239.0 0.00418 139.52336 182.71513 238.0 0.00420 139.48367 182.95331 224.0 0.00446 139.44402 183.29002 225.0 0.00444 139.40440 183.71902 237.0 0.00422 139.36482 184.23486 227.0 0.00441 139.32527 184.83305 240.0 0.00417 139.28577 185.50989 260.0 0.00385 139.24631 186.26270 216.0 0.00463 139.20688 187.08974 221.0 0.00452 139.16748 187.98988 218.0 0.00459 139.12814 188.96312 217.0 0.00461 139.08882 190.01015 248.0 0.00403 139.04955 191.13223 224.0 0.00446 139.01030 192.33167 223.0 0.00448 138.97110 193.61130 237.0 0.00422 138.93193 194.97499 242.0 0.00413 138.89281 196.42714 227.0 0.00441 138.85373 197.97340 217.0 0.00461 138.81467 199.62016 215.0 0.00465 138.77565 201.37532 252.0 0.00397 138.73669 203.24812 252.0 0.00397 138.69775 205.24956 237.0 0.00422 138.65884 207.39290 250.0 0.00400 138.61998 209.69383 231.0 0.00433 138.58116 212.17119 241.0 0.00415 138.54237 214.84738 240.0 0.00417 138.50362 217.74907 280.0 0.00357 138.46490 220.90784 223.0 0.00448 138.42622 224.36047 265.0 0.00377 138.38759 228.14993 236.0 0.00424 138.34900 232.32497 267.0 0.00375 138.31041 236.94081 281.0 0.00356 138.27190 242.05861 239.0 0.00418 138.23340 247.74495 280.0 0.00357 138.19495 254.07030 292.0 0.003425 138.15652 261.10794 251.0 0.00398 138.11815 268.93143 303.0 0.003300 138.07979 277.61133 254.0 0.00394 138.04149 287.21161 272.0 0.00368 138.00320 297.78436 294.0 0.003401 137.96498 309.36353 277.0 0.00361 137.92677 321.95541 296.0 0.003378 137.88861 335.52811 302.0 0.003311 137.85048 349.99625 354.0 0.002825 137.81239 365.20566 334.0 0.002994 137.77435 380.91730 336.0 0.002976 137.73633 395.72775 352.0 0.002841 137.69835 411.36737 372.0 0.002688 137.66040 426.28268 351.0 0.002849 137.62248 439.99319 395.0 0.002532 137.58461 452.08026 353.0 0.002833 137.54677 460.97256 433.0 0.002309 137.50897 469.09277 416.0 0.002404 137.47121 475.18420 420.0 0.002381 137.43347 479.41449 458.0 0.002183 137.39577 482.05637 424.0 0.002358 137.35811 483.45319 359.0 0.002786 137.32048 483.99081 427.0 0.002342 137.28288 484.07410 455.0 0.002198 137.24535 484.10233 436.0 0.002294 137.20782 484.44440 436.0 0.002294 137.17035 485.41553 445.0 0.002247 137.13290 487.26184 468.0 0.002137 137.09547 562.86407 485.0 0.002062 137.05811 575.44989 508.0 0.001969 137.02075 591.63983 528.0 0.001894 136.98344 612.68091 635.0 0.001575 136.94618 640.45197 638.0 0.001567 136.90894 677.70825 759.0 0.001318 136.87175 766.91931 856.0 0.001168 136.83458 841.13153 1020.0 0.000980 136.79745 941.26007 1207.0 0.000829 136.76035 1075.33044 1444.0 0.000693 136.72328 1251.41223 1645.0 0.000608 136.68625 1476.75720 2012.0 0.000497 136.64926 1756.31836 2422.0 0.000413 136.61230 2091.22339 2902.0 0.0003446 136.57539 2476.61157 3098.0 0.0003228 136.53850 2901.06128 3652.0 0.0002738 136.50163 3345.00220 4146.0 0.0002412 136.46481 3780.38867 4484.0 0.0002230 136.42802 4171.79932 4821.0 0.0002074 136.39128 4481.19141 5191.0 0.0001926 136.35455 4677.35498 5027.0 0.0001989 136.31787 4745.82129 5129.0 0.0001950 136.28123 4691.06299 5091.0 0.0001964 136.24461 4529.11719 4773.0 0.0002095 136.20804 4278.43018 4285.0 0.0002334 136.17149 3956.52148 3960.0 0.0002525 136.13498 3582.34009 3605.0 0.0002774 136.09850 3178.60352 3064.0 0.0003264 136.06204 2769.93188 2793.0 0.000358 136.02563 2378.34912 2325.0 0.000430 135.98926 2020.01172 1907.0 0.000524 135.95293 1704.51453 1620.0 0.000617 135.91661 1435.79041 1329.0 0.000752 135.88033 1213.46448 1085.0 0.000922 135.84409 1034.16138 903.0 0.001107 135.80788 892.64795 762.0 0.001312 135.77170 782.80212 662.0 0.001511 135.73557 698.39258 602.0 0.001661 135.69945 633.64587 551.0 0.001815 135.66339 583.59326 478.0 0.002092 135.62733 544.21967 400.0 0.002500 135.59132 512.45502 396.0 0.002525 135.55536 486.06403 402.0 0.002488 135.51941 463.48795 399.0 0.002506 135.48349 443.67700 396.0 0.002525 135.44762 425.94147 382.0 0.002618 135.41177 409.83328 369.0 0.002710 135.37598 395.05872 394.0 0.002538 135.34019 381.41974 330.0 0.003030 135.30446 368.77597 377.0 0.002653 135.26874 357.02191 321.0 0.003115 135.23306 346.07343 306.0 0.003268 135.19742 335.86014 295.0 0.003390 135.16180 326.32114 310.0 0.003226 135.12622 317.40298 267.0 0.00375 135.09068 309.05765 244.0 0.00410 135.05518 301.24176 249.0 0.00402 135.01968 293.91595 226.0 0.00442 134.98422 287.04468 230.0 0.00435 134.94881 280.59518 223.0 0.00448 134.91342 274.53760 248.0 0.00403 134.87808 268.84451 232.0 0.00431 134.84274 263.49081 247.0 0.00405 134.80746 258.45346 222.0 0.00450 134.77222 253.71121 217.0 0.00461 134.73698 249.24457 216.0 0.00463 134.70180 245.03569 188.0 0.00532 134.66664 241.06805 211.0 0.00474 134.63152 237.32655 217.0 0.00461 134.59642 233.79749 211.0 0.00474 134.56136 230.46819 223.0 0.00448 134.52634 227.32718 208.0 0.00481 134.49133 224.36417 202.0 0.00495 134.45638 221.56985 201.0 0.00498 134.42143 218.93610 190.0 0.00526 134.38652 216.45580 189.0 0.00529 134.35165 214.12309 214.0 0.00467 134.31682 211.93333 207.0 0.00483 134.28200 209.88324 191.0 0.00524 134.24722 207.97122 206.0 0.00485 134.21248 206.19724 233.0 0.00429 134.17776 204.56337 194.0 0.00515 134.14310 203.07405 193.0 0.00518 134.10844 201.73621 203.0 0.00493 134.07381 200.55943 179.0 0.00559 134.03922 199.55664 218.0 0.00459 134.00467 198.74364 222.0 0.00450 133.97014 198.13939 184.0 0.00543 133.93565 197.76569 221.0 0.00452 133.90118 197.64685 210.0 0.00476 133.86676 197.80873 201.0 0.00498 133.83235 198.27782 202.0 0.00495 133.79799 199.07997 204.0 0.00490 133.76366 200.23851 228.0 0.00439 133.72934 201.77217 222.0 0.00450 133.69505 203.69252 223.0 0.00448 133.66081 206.00040 231.0 0.00433 133.62660 208.68159 207.0 0.00483 133.59242 211.70111 226.0 0.00442 133.55827 214.99590 228.0 0.00439 133.52414 218.46704 231.0 0.00433 133.49004 221.97282 240.0 0.00417 133.45598 225.32787 262.0 0.00382 133.42195 228.31178 245.0 0.00408 133.38795 230.69385 264.0 0.00379 133.35397 232.26944 253.0 0.00395 133.32004 232.89743 248.0 0.00403 133.28613 233.41840 259.0 0.00386 133.25226 232.07848 252.0 0.00397 133.21840 229.83986 237.0 0.00422 133.18459 226.81372 240.0 0.00417 133.15080 223.12634 231.0 0.00433 133.11703 218.91685 254.0 0.00394 133.08331 214.78413 238.0 0.00420 133.04962 210.00270 215.0 0.00465 133.01595 205.16620 246.0 0.00407 132.98232 200.41075 211.0 0.00474 132.94870 195.84439 210.0 0.00476 132.91513 191.54413 197.0 0.00508 132.88159 187.55812 259.0 0.00386 132.84807 183.91057 195.0 0.00513 132.81458 180.60727 199.0 0.00503 132.78113 177.64069 203.0 0.00493 132.74770 174.99390 179.0 0.00559 132.71429 172.64407 218.0 0.00459 132.68092 170.56488 189.0 0.00529 132.64758 168.72855 193.0 0.00518 132.61427 167.10695 171.0 0.00585 132.58099 165.67322 196.0 0.00510 132.54774 164.40207 223.0 0.00448 132.51453 163.27060 186.0 0.00538 132.48134 162.25835 197.0 0.00508 132.44817 161.34723 182.0 0.00549 132.41504 160.52219 168.0 0.00595 132.38194 159.77005 175.0 0.00571 132.34886 159.08011 191.0 0.00524 132.31581 158.44344 181.0 0.00552 132.28281 157.85271 184.0 0.00543 132.24982 157.30203 197.0 0.00508 132.21687 156.78659 172.0 0.00581 132.18394 156.30255 154.0 0.00649 132.15103 155.84665 160.0 0.00625 132.11816 155.41641 154.0 0.00649 132.08533 155.00970 164.0 0.00610 132.05252 154.62474 167.0 0.00599 132.01973 154.26004 134.0 0.00746 131.98698 153.91440 165.0 0.00606 131.95427 153.58675 171.0 0.00585 131.92155 153.27614 165.0 0.00606 131.88889 152.98186 152.0 0.00658 131.85626 152.70325 169.0 0.00592 131.82364 152.43970 145.0 0.00690 131.79106 152.19067 115.0 0.00870 131.75851 151.95590 143.0 0.00699 131.72598 151.73495 143.0 0.00699 131.69348 151.52751 142.0 0.00704 131.66103 151.33337 180.0 0.00556 131.62859 151.15242 167.0 0.00599 131.59618 150.98454 172.0 0.00581 131.56380 150.82962 152.0 0.00658 131.53145 150.68762 148.0 0.00676 131.49911 150.55872 138.0 0.00725 131.46681 150.44284 151.0 0.00662 131.43454 150.34030 163.0 0.00613 131.40231 150.25119 140.0 0.00714 131.37010 150.17580 135.0 0.00741 131.33792 150.11444 155.0 0.00645 131.30576 150.06743 159.0 0.00629 131.27364 150.03531 149.0 0.00671 131.24153 150.01855 146.0 0.00685 131.20946 150.01765 145.0 0.00690 131.17741 150.03337 155.0 0.00645 131.14540 150.06641 134.0 0.00746 131.11342 150.11765 152.0 0.00658 131.08145 150.18796 152.0 0.00658 131.04953 150.27843 143.0 0.00699 131.01761 150.39027 142.0 0.00704 130.98573 150.52481 139.0 0.00719 130.95389 150.68359 156.0 0.00641 130.92206 150.86824 157.0 0.00637 130.89027 151.08078 143.0 0.00699 130.85851 151.32327 166.0 0.00602 130.82677 151.59830 148.0 0.00676 130.79506 151.90869 159.0 0.00629 130.76337 152.25790 146.0 0.00685 130.73170 152.64964 152.0 0.00658 130.70009 153.08870 145.0 0.00690 130.66849 153.58035 152.0 0.00658 130.63692 154.72707 162.0 0.00617 130.60536 155.36198 183.0 0.00546 130.57385 156.07393 165.0 0.00606 130.54236 156.87402 160.0 0.00625 130.51089 157.77591 170.0 0.00588 130.47945 158.79570 156.0 0.00641 130.44803 160.24861 169.0 0.00592 130.41664 161.57411 121.0 0.00826 130.38530 163.08679 168.0 0.00595 130.35396 164.81767 173.0 0.00578 130.32266 166.80234 139.0 0.00719 130.29140 169.08133 193.0 0.00518 130.26013 171.69949 152.0 0.00658 130.22891 174.70633 160.0 0.00625 130.19771 178.15514 181.0 0.00552 130.16655 182.10202 180.0 0.00556 130.13541 186.72050 198.0 0.00505 130.10429 192.00395 175.0 0.00571 130.07321 198.16534 216.0 0.00463 130.04214 205.47362 201.0 0.00498 130.01111 214.37062 223.0 0.00448 129.98010 225.56993 243.0 0.00412 129.94913 240.23555 207.0 0.00483 129.91817 259.93372 246.0 0.00407 129.88724 286.88852 303.0 0.003300 129.85634 323.80106 361.0 0.002770 129.82547 373.59796 402.0 0.002488 129.79462 438.90619 463.0 0.002160 129.76378 521.30487 553.0 0.001808 129.73299 620.48785 629.0 0.001590 129.70222 733.57037 810.0 0.001235 129.67148 854.81659 953.0 0.001049 129.64076 976.00220 1031.0 0.000970 129.61006 1087.45251 1167.0 0.000857 129.57941 1179.56445 1250.0 0.000800 129.54877 1244.42249 1300.0 0.000769 129.51816 1277.06348 1280.0 0.000781 129.48756 1276.06165 1216.0 0.000822 129.45700 1243.34094 1140.0 0.000877 129.42647 1183.38879 1091.0 0.000917 129.39595 1102.19861 988.0 0.001012 129.36548 1006.28351 936.0 0.001068 129.33501 901.97101 789.0 0.001267 129.30460 795.01556 717.0 0.001395 129.27419 690.42609 597.0 0.001675 129.24379 592.37054 493.0 0.002028 129.21344 504.06784 457.0 0.002188 129.18312 427.66635 404.0 0.002475 129.15282 364.17093 269.0 0.00372 129.12254 313.48700 296.0 0.003378 129.09229 274.60706 275.0 0.00364 129.06207 245.90730 215.0 0.00465 129.03186 225.48322 258.0 0.00388 129.00168 211.44791 230.0 0.00435 128.97153 202.14238 223.0 0.00448 128.94142 196.24075 212.0 0.00472 128.91132 192.97523 197.0 0.00508 128.88124 191.26891 184.0 0.00543 128.85120 190.88443 178.0 0.00562 128.82118 191.54855 200.0 0.00500 128.79117 193.08727 223.0 0.00448 128.76122 195.37793 195.0 0.00513 128.73126 198.31447 230.0 0.00435 128.70134 201.89127 226.0 0.00442 128.67143 205.75531 199.0 0.00503 128.64157 209.82790 203.0 0.00493 128.61172 213.87968 196.0 0.00510 128.58189 217.64075 204.0 0.00490 128.55211 218.33076 206.0 0.00485 128.52234 220.69003 202.0 0.00495 128.49258 222.01094 203.0 0.00493 128.46288 222.20154 199.0 0.00503 128.43318 221.27385 176.0 0.00568 128.40350 216.92596 202.0 0.00495 128.37386 214.08748 209.0 0.00478 128.34424 210.49225 202.0 0.00495 128.31465 206.29944 204.0 0.00490 128.28506 201.69237 202.0 0.00495 128.25552 196.88426 181.0 0.00552 128.22601 192.11108 191.0 0.00524 128.19650 187.61443 210.0 0.00476 128.16704 183.62132 190.0 0.00526 128.13759 180.32729 189.0 0.00529 128.10815 177.88310 191.0 0.00524 128.07877 176.38432 173.0 0.00578 128.04939 175.86147 198.0 0.00505 128.02005 176.27191 204.0 0.00490 127.99071 177.49390 144.0 0.00694 127.96141 179.32483 207.0 0.00483 127.93214 181.48395 171.0 0.00585 127.90289 183.62502 183.0 0.00546 127.87365 185.36955 198.0 0.00505 127.84445 186.37288 172.0 0.00581 127.81528 186.40788 177.0 0.00565 127.78612 185.41460 186.0 0.00538 127.75700 183.47379 183.0 0.00546 127.72789 180.73123 191.0 0.00524 127.69880 177.33539 174.0 0.00575 127.66974 173.42238 177.0 0.00565 127.64071 169.13670 173.0 0.00578 127.61169 164.65208 162.0 0.00617 127.58271 160.16296 151.0 0.00662 127.55375 155.85255 180.0 0.00556 127.52482 151.86479 158.0 0.00633 127.49590 148.29378 157.0 0.00637 127.46701 145.18694 165.0 0.00606 127.43814 142.55341 157.0 0.00637 127.40930 140.37292 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109.31787 113.05273 141.0 0.00709 109.28432 112.98484 144.0 0.00694 109.25079 112.91942 130.0 0.00769 109.21729 112.85652 141.0 0.00709 109.18380 112.79616 149.0 0.00671 109.15036 112.73837 124.0 0.00806 109.11692 112.68319 131.0 0.00763 109.08350 112.63068 139.0 0.00719 109.05011 112.77500 144.0 0.00694 109.01674 112.13085 150.0 0.00667 108.98338 112.10188 133.0 0.00752 108.95006 112.07624 125.0 0.00800 108.91675 112.05402 129.0 0.00775 108.88348 112.03548 127.0 0.00787 108.85023 112.02075 164.0 0.00610 108.81699 112.01010 144.0 0.00694 108.78377 111.62874 140.0 0.00714 108.75057 111.63176 122.0 0.00820 108.71741 111.63966 140.0 0.00714 108.68427 111.65282 159.0 0.00629 108.65114 111.67271 150.0 0.00667 108.61803 113.53989 142.0 0.00704 108.58497 113.94791 147.0 0.00680 108.55190 114.52939 171.0 0.00585 108.51886 115.36178 163.0 0.00613 108.48584 116.54796 166.0 0.00602 108.45284 118.21811 192.0 0.00521 108.41987 120.52763 133.0 0.00752 108.38694 123.65037 179.0 0.00559 108.35401 128.68211 167.0 0.00599 108.32110 134.13138 161.0 0.00621 108.28822 140.92577 162.0 0.00617 108.25535 149.13950 190.0 0.00526 108.22250 158.75174 177.0 0.00565 108.18969 169.62361 183.0 0.00546 108.15691 181.48506 183.0 0.00546 108.12414 193.93469 179.0 0.00559 108.09138 206.45374 196.0 0.00510 108.05865 218.43568 185.0 0.00541 108.02594 229.23740 198.0 0.00505 107.99326 238.26118 174.0 0.00575 107.96059 245.06485 180.0 0.00556 107.92795 249.46106 196.0 0.00510 107.89532 251.54698 199.0 0.00503 107.86272 251.63980 198.0 0.00505 107.83012 250.16029 188.0 0.00532 107.79758 247.52724 187.0 0.00535 107.76504 244.09569 203.0 0.00493 107.73253 240.14317 185.0 0.00541 107.70004 235.89236 225.0 0.00444 107.66758 231.54575 208.0 0.00481 107.63511 227.30031 170.0 0.00588 107.60269 223.32661 185.0 0.00541 107.57029 219.72969 187.0 0.00535 107.53789 216.51991 181.0 0.00552 107.50554 213.60982 164.0 0.00610 107.47318 210.83850 172.0 0.00581 107.44087 208.01920 155.0 0.00645 107.40856 204.99355 177.0 0.00565 107.37629 201.67122 164.0 0.00610 107.34402 198.03568 194.0 0.00515 107.31181 194.11829 161.0 0.00621 107.27958 189.95963 159.0 0.00629 107.24738 185.58070 178.0 0.00562 107.21523 180.97697 173.0 0.00578 107.18307 181.18872 183.0 0.00546 107.15093 176.25775 155.0 0.00645 107.11882 171.14040 147.0 0.00680 107.08673 165.92302 169.0 0.00592 107.05466 160.72180 181.0 0.00552 107.02262 155.66022 156.0 0.00641 106.99059 150.84933 138.0 0.00725 106.95860 146.37564 164.0 0.00610 106.92661 144.79202 153.0 0.00654 106.89464 141.21474 154.0 0.00649 106.86270 138.07959 144.0 0.00694 106.83079 135.38045 158.0 0.00633 106.79887 132.82431 153.0 0.00654 106.76701 132.68723 162.0 0.00617 106.73514 131.21501 127.0 0.00787 106.70332 130.06529 142.0 0.00704 106.67149 129.20091 161.0 0.00621 106.63971 128.58578 142.0 0.00704 106.60793 128.18625 144.0 0.00694 106.57617 127.97194 138.0 0.00725 106.54444 127.54948 146.0 0.00685 106.51273 127.63450 130.0 0.00769 106.48103 128.73180 156.0 0.00641 106.44936 129.07224 146.0 0.00685 106.41772 129.50887 152.0 0.00658 106.38609 130.03462 146.0 0.00685 106.35449 130.64526 138.0 0.00725 106.32288 131.33888 152.0 0.00658 106.29133 132.11571 147.0 0.00680 106.25977 132.97772 161.0 0.00621 106.22826 133.92863 132.0 0.00758 106.19674 134.97371 142.0 0.00704 106.16527 136.12001 140.0 0.00714 106.13380 137.37634 149.0 0.00671 106.10236 138.75377 150.0 0.00667 106.07093 140.26598 129.0 0.00775 106.03953 141.92995 162.0 0.00617 106.00814 143.76692 163.0 0.00613 105.97678 147.55330 151.0 0.00662 105.94543 149.92043 154.0 0.00649 105.91411 152.57037 148.0 0.00676 105.88281 155.55650 162.0 0.00617 105.85152 158.94563 172.0 0.00581 105.82027 162.82101 172.0 0.00581 105.78902 167.28584 165.0 0.00606 105.75780 172.46750 187.0 0.00535 105.72662 179.37834 175.0 0.00571 105.69543 186.54137 189.0 0.00529 105.66428 194.99693 165.0 0.00606 105.63313 205.01602 204.0 0.00490 105.60202 216.91824 200.0 0.00500 105.57091 231.07628 203.0 0.00493 105.53983 247.91983 218.0 0.00459 105.50878 269.83661 277.0 0.00361 105.47774 295.17477 266.0 0.00376 105.44671 325.97842 333.0 0.003003 105.41573 363.54678 329.0 0.003040 105.38474 409.46371 383.0 0.002611 105.35378 465.59970 471.0 0.002123 105.32284 534.05945 506.0 0.001976 105.29192 617.04669 592.0 0.001689 105.26103 717.41516 695.0 0.001439 105.23013 835.81378 803.0 0.001245 105.19929 973.34497 1004.0 0.000996 105.16843 1129.59705 1143.0 0.000875 105.13763 1302.02942 1401.0 0.000714 105.10682 1486.07825 1635.0 0.000612 105.07606 1675.06909 1900.0 0.000526 105.04530 1860.61475 2088.0 0.000479 105.01456 2033.41223 2226.0 0.000449 104.98382 2184.30957 2389.0 0.000419 104.95313 2304.89697 2395.0 0.000418 104.92245 2390.37939 2343.0 0.000427 104.89180 2436.97900 2429.0 0.000412 104.86115 2444.07593 2274.0 0.000440 104.83052 2413.47925 2301.0 0.000435 104.79991 2348.92529 2036.0 0.000491 104.76933 2255.37061 1951.0 0.000513 104.73876 2138.27319 1917.0 0.000522 104.70822 2003.05579 1715.0 0.000583 104.67770 1854.79773 1580.0 0.000633 104.64721 1698.11462 1392.0 0.000718 104.61671 1537.17615 1244.0 0.000804 104.58626 1375.81506 1141.0 0.000876 104.55581 1217.62341 1005.0 0.000995 104.52538 1065.94336 839.0 0.001192 104.49497 923.74255 698.0 0.001433 104.46458 793.44818 619.0 0.001616 104.43422 676.80627 521.0 0.001919 104.40386 574.80157 447.0 0.002237 104.37354 487.64941 372.0 0.002688 104.34325 414.86139 326.0 0.003067 104.31294 355.37399 284.0 0.00352 104.28267 307.71887 274.0 0.00365 104.25242 270.20676 254.0 0.00394 104.22219 241.09724 222.0 0.00450 104.19198 218.73460 183.0 0.00546 104.16177 201.63998 207.0 0.00483 104.13161 188.56024 218.0 0.00459 104.10146 178.47983 143.0 0.00699 104.07132 170.60698 205.0 0.00488 104.04120 164.34453 167.0 0.00599 104.01110 159.25418 157.0 0.00637 103.98103 155.02132 176.0 0.00568 103.95095 151.42351 163.0 0.00613 103.92092 148.30508 171.0 0.00585 103.89091 145.55699 156.0 0.00641 103.86090 143.10249 171.0 0.00585 103.83092 140.88686 160.0 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102.94019 192.52597 169.0 0.00592 102.91080 193.00117 173.0 0.00578 102.88142 192.02579 128.0 0.00781 102.85205 189.78647 129.0 0.00775 102.82270 186.49095 136.0 0.00735 102.79338 182.33453 131.0 0.00763 102.76408 177.48639 144.0 0.00694 102.73478 172.09465 150.0 0.00667 102.70550 166.30200 166.0 0.00602 102.67626 155.53035 155.0 0.00645 102.64703 149.52589 143.0 0.00699 102.61781 143.58424 124.0 0.00806 102.58860 137.84909 124.0 0.00806 102.55943 132.44188 120.0 0.00833 102.53027 127.45870 130.0 0.00769 102.50112 122.96970 135.0 0.00741 102.47199 119.01849 151.0 0.00662 102.44289 115.62217 125.0 0.00800 102.41379 111.26040 124.0 0.00806 102.38474 109.17119 141.0 0.00709 102.35567 107.43958 132.0 0.00758 102.32664 107.77666 125.0 0.00800 102.29763 108.50719 113.0 0.00885 102.26864 107.84900 110.0 0.00909 102.23965 107.39405 117.0 0.00855 102.21069 107.09588 114.0 0.00877 102.18172 108.15943 118.0 0.00847 102.15282 107.40800 120.0 0.00833 102.12390 107.48679 122.0 0.00820 102.09502 107.62594 113.0 0.00885 102.06614 108.59599 116.0 0.00862 102.03728 109.62064 114.0 0.00877 102.00847 109.83474 105.0 0.00952 101.97963 110.06060 104.0 0.00962 101.95084 110.29906 124.0 0.00806 101.92204 111.17313 107.0 0.00935 101.89330 111.45734 126.0 0.00794 101.86455 111.75764 148.0 0.00676 101.83582 112.07513 115.0 0.00870 101.80712 112.41102 118.0 0.00847 101.77842 112.76664 93.0 0.01075 101.74973 113.14342 110.0 0.00909 101.72108 113.54293 126.0 0.00794 101.69244 113.96690 110.0 0.00909 101.66383 114.41721 113.0 0.00885 101.63521 114.89590 108.0 0.00926 101.60664 115.40528 125.0 0.00800 101.57806 115.94781 114.0 0.00877 101.54951 116.52632 125.0 0.00800 101.52097 117.14384 111.0 0.00901 101.49246 117.80393 109.0 0.00917 101.46396 118.51039 101.0 0.00990 101.43550 119.26766 128.0 0.00781 101.40701 120.08077 101.0 0.00990 101.37858 120.95560 129.0 0.00775 101.35014 121.89901 92.0 0.01087 101.32175 122.91915 133.0 0.00752 101.29335 124.02586 115.0 0.00870 101.26498 125.35752 109.0 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100.42184 620.09283 701.0 0.001427 100.39400 659.21985 765.0 0.001307 100.36616 694.48450 884.0 0.001131 100.33836 724.70526 848.0 0.001179 100.31057 748.78638 925.0 0.001081 100.28281 766.15906 906.0 0.001104 100.25507 776.48102 854.0 0.001171 100.22731 779.64661 851.0 0.001175 100.19961 775.75867 839.0 0.001192 100.17190 765.12726 810.0 0.001235 100.14421 748.26477 749.0 0.001335 100.11655 725.85510 700.0 0.001429 100.08891 698.73254 662.0 0.001511 100.06126 667.69470 660.0 0.001515 100.03365 633.65179 645.0 0.001550 100.00603 597.45795 596.0 0.001678 99.97845 559.93005 495.0 0.002020 99.95087 521.85510 411.0 0.002433 99.92335 484.00104 396.0 0.002525 99.89581 447.10861 366.0 0.002732 99.86829 411.85611 317.0 0.003155 99.84080 378.81375 281.0 0.00356 99.81329 348.40909 265.0 0.00377 99.78585 320.91571 226.0 0.00442 99.75838 296.46146 186.0 0.00538 99.73094 275.04828 171.0 0.00585 99.70354 256.57474 170.0 0.00588 99.67612 240.85730 147.0 0.00680 99.64875 227.64879 133.0 0.00752 99.62137 216.65388 138.0 0.00725 99.59404 207.54343 156.0 0.00641 99.56669 199.96967 129.0 0.00775 99.53938 193.58595 127.0 0.00787 99.51207 188.07155 122.0 0.00820 99.48480 183.15796 121.0 0.00826 99.45753 178.64653 125.0 0.00800 99.43027 174.40927 131.0 0.00763 99.40305 170.37291 133.0 0.00752 99.37583 166.49586 105.0 0.00952 99.34863 162.74893 123.0 0.00813 99.32143 159.10434 105.0 0.00952 99.29428 155.53416 116.0 0.00862 99.26710 152.01546 146.0 0.00685 99.23999 148.53865 109.0 0.00917 99.21286 145.11317 113.0 0.00885 99.18575 141.76653 123.0 0.00813 99.15868 138.53677 114.0 0.00877 99.13159 135.46283 95.0 0.01053 99.10455 132.57803 127.0 0.00787 99.07751 129.90617 115.0 0.00870 99.05048 127.46181 124.0 0.00806 99.02348 125.25079 116.0 0.00862 98.99648 123.27166 113.0 0.00885 98.96953 121.51696 97.0 0.01031 98.94255 119.97433 112.0 0.00893 98.91562 118.62784 96.0 0.01042 98.88869 117.45905 124.0 0.00806 98.86180 116.44830 95.0 0.01053 98.83488 115.57574 95.0 0.01053 98.80802 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78.0 0.01282 71.02313 83.09406 79.0 0.01266 71.01038 84.82603 82.0 0.01220 70.99763 86.72788 78.0 0.01282 70.98489 88.78547 84.0 0.01190 70.97216 90.97684 112.0 0.00893 70.95944 93.27166 97.0 0.01031 70.94672 95.63130 98.0 0.01020 70.93399 98.00916 86.0 0.01163 70.92126 100.35123 110.0 0.00909 70.90856 102.59761 118.0 0.00847 70.89586 104.68462 109.0 0.00917 70.88316 106.54827 90.0 0.01111 70.87048 108.12909 110.0 0.00909 70.85780 109.38642 136.0 0.00735 70.84509 110.27509 109.0 0.00917 70.83243 110.78958 124.0 0.00806 70.81975 110.74542 128.0 0.00781 70.80709 110.57418 121.0 0.00826 70.79443 110.12237 114.0 0.00877 70.78178 109.44655 121.0 0.00826 70.76911 108.60494 136.0 0.00735 70.75645 107.65189 134.0 0.00746 70.74382 106.63441 127.0 0.00787 70.73118 105.58958 126.0 0.00794 70.71857 104.54364 130.0 0.00769 70.70593 103.51358 105.0 0.00952 70.69331 102.50050 105.0 0.00952 70.68070 101.50243 106.0 0.00943 70.66808 100.50961 128.0 0.00781 70.65549 99.51498 110.0 0.00909 70.64288 98.30074 123.0 0.00813 70.63029 97.26904 115.0 0.00870 70.61770 96.21304 121.0 0.00826 70.60513 95.13216 118.0 0.00847 70.59255 94.03571 129.0 0.00775 70.57996 92.93145 130.0 0.00769 70.56741 91.82745 131.0 0.00763 70.55484 90.73100 111.0 0.00901 70.54227 89.64890 115.0 0.00870 70.52972 88.58739 123.0 0.00813 70.51717 87.55283 143.0 0.00699 70.50465 86.55267 117.0 0.00855 70.49210 85.59198 124.0 0.00806 70.47958 84.67892 116.0 0.00862 70.46705 83.82081 114.0 0.00877 70.45452 83.02447 132.0 0.00758 70.44200 82.29572 105.0 0.00952 70.42950 81.64171 94.0 0.01064 70.41699 81.06003 108.0 0.00926 70.40449 80.55201 121.0 0.00826 70.39198 80.11420 117.0 0.00855 70.37950 79.74011 120.0 0.00833 70.36702 79.42064 122.0 0.00820 70.35454 79.14448 116.0 0.00862 70.34206 78.89889 100.0 0.01000 70.32960 78.67072 121.0 0.00826 70.31712 78.44724 123.0 0.00813 70.30466 78.21730 125.0 0.00800 70.29221 77.97198 105.0 0.00952 70.27975 77.70527 93.0 0.01075 70.26732 77.42805 107.0 0.00935 70.25488 77.11387 113.0 0.00885 70.24245 76.77909 119.0 0.00840 70.23001 76.42937 101.0 0.00990 70.21759 76.07182 79.0 0.01266 70.20515 75.71445 108.0 0.00926 70.19276 75.36520 87.0 0.01149 70.18034 75.03117 88.0 0.01136 70.16793 74.71828 98.0 0.01020 70.15554 74.43075 74.0 0.01351 70.14314 74.17097 93.0 0.01075 70.13075 73.93970 104.0 0.00962 70.11838 73.73615 99.0 0.01010 70.10599 73.55858 83.0 0.01205 70.09361 73.40449 88.0 0.01136 70.08125 73.27118 107.0 0.00935 70.06889 73.16301 93.0 0.01075 70.05653 73.06451 77.0 0.01299 70.04417 72.98090 78.0 0.01282 70.03183 72.91147 80.0 0.01250 70.01948 72.85902 76.0 0.01316 70.00715 72.82044 84.0 0.01190 69.99480 72.79886 78.0 0.01282 69.98248 72.79608 95.0 0.01053 69.97017 72.81420 97.0 0.01031 69.95784 72.85516 90.0 0.01111 69.94554 72.92091 91.0 0.01099 69.93321 73.01284 88.0 0.01136 69.92091 73.13212 87.0 0.01149 69.90862 73.27921 85.0 0.01176 69.89632 73.45383 87.0 0.01149 69.88403 73.65500 96.0 0.01042 69.87176 73.88085 105.0 0.00952 69.85947 74.12864 85.0 0.01176 69.84719 74.39476 92.0 0.01087 69.83493 74.67480 98.0 0.01020 69.82267 74.96485 85.0 0.01176 69.81041 75.25710 93.0 0.01075 69.79815 75.54604 87.0 0.01149 69.78591 75.82490 100.0 0.01000 69.77367 76.08657 95.0 0.01053 69.76143 76.32378 92.0 0.01087 69.74919 76.52940 86.0 0.01163 69.73695 76.69672 94.0 0.01064 69.72474 76.81997 87.0 0.01149 69.71252 76.89481 114.0 0.00877 69.70031 76.91879 74.0 0.01351 69.68809 76.89179 89.0 0.01124 69.67590 76.81610 89.0 0.01124 69.66370 76.69598 97.0 0.01031 69.65151 76.53732 98.0 0.01020 69.63931 76.34699 84.0 0.01190 69.62712 76.13226 86.0 0.01163 69.61495 75.90020 83.0 0.01205 69.60278 75.65719 87.0 0.01149 69.59061 75.40858 110.0 0.00909 69.57843 75.15844 73.0 0.01370 69.56628 74.90946 91.0 0.01099 69.55413 74.66283 90.0 0.01111 69.54198 74.41849 88.0 0.01136 69.52983 74.17554 89.0 0.01124 69.51768 73.93249 90.0 0.01111 69.50555 73.68787 103.0 0.00971 69.49343 73.44052 89.0 0.01124 69.48130 73.19008 91.0 0.01099 69.46919 72.93682 76.0 0.01316 69.45707 72.68190 88.0 0.01136 69.44496 72.42704 58.0 0.01724 69.43285 72.17448 83.0 0.01205 69.42075 71.92733 82.0 0.01220 69.40865 71.68687 96.0 0.01042 69.39656 71.45622 81.0 0.01235 69.38448 71.23755 102.0 0.00980 69.37240 71.03264 66.0 0.01515 69.36034 70.84286 75.0 0.01333 69.34825 70.66902 90.0 0.01111 69.33619 70.51153 78.0 0.01282 69.32413 70.37016 74.0 0.01351 69.31207 70.24437 73.0 0.01370 69.30000 70.13329 92.0 0.01087 69.28796 70.03576 65.0 0.01538 69.27592 69.95046 65.0 0.01538 69.26389 69.87598 78.0 0.01282 69.25185 69.81098 71.0 0.01408 69.23983 69.75413 76.0 0.01316 69.22781 69.70444 80.0 0.01250 69.21577 69.66021 87.0 0.01149 69.20378 69.62078 69.0 0.01449 69.19176 69.58525 63.0 0.01587 69.17977 69.55296 79.0 0.01266 69.16777 69.52324 84.0 0.01190 69.15575 69.49567 60.0 0.01667 69.14378 69.46987 71.0 0.01408 69.13179 69.44548 60.0 0.01667 69.11982 69.42229 88.0 0.01136 69.10784 69.40011 80.0 0.01250 69.09587 69.37880 79.0 0.01266 69.08390 69.35823 78.0 0.01282 69.07195 69.37848 80.0 0.01250 69.06000 69.37693 84.0 0.01190 69.04804 69.38343 70.0 0.01429 69.03609 69.40060 90.0 0.01111 69.02415 69.43163 76.0 0.01316 69.01221 69.48053 88.0 0.01136 69.00029 69.55199 82.0 0.01220 68.98836 69.65135 62.0 0.01613 68.97643 69.78456 88.0 0.01136 68.96452 69.95792 68.0 0.01471 68.95262 70.17773 94.0 0.01064 68.94069 70.44987 87.0 0.01149 68.92880 70.77940 77.0 0.01299 68.91690 71.16976 71.0 0.01408 68.90501 71.62224 69.0 0.01449 68.89310 72.13531 76.0 . . . _pd_meas_number_of_points 4700 _pd_proc_number_of_points 4700 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 0 1 1 o 20081.166 19938.047 0.00 4.86763 100.00 0 0 1 2 o 19862.367 19938.047 0.00 4.86763 49.21 1 1 0 1 o 4363.322 3698.258 0.00 4.27934 42.13 1 1 0 2 o 4301.211 3698.258 0.00 4.27934 20.67 0 2 0 1 o 4090.814 4039.945 0.00 4.46910 21.98 0 2 0 2 o 4697.548 4039.945 0.00 4.46910 12.53 1 1 -1 1 o 2306.071 2614.688 0.00 3.81558 17.08 1 1 -1 2 o 2264.532 2614.688 0.00 3.81558 8.35 0 2 1 1 o 2240.417 2218.457 0.00 3.29202 11.70 0 2 1 2 o 2246.540 2218.457 0.00 3.29202 5.84 2 0 -1 1 o 10514.429 11190.922 0.00 2.54563 16.89 2 0 -1 2 o 10515.246 11190.922 0.00 2.54563 8.40 1 1 1 1 o 1124.673 1160.314 0.00 2.82915 4.24 1 1 1 2 o 1208.962 1160.314 0.00 2.82915 2.26 2 0 0 1 o 4133.243 4427.755 0.00 2.43715 5.93 2 0 0 2 o 4199.594 4427.755 0.00 2.43715 3.00 1 3 0 1 o 11190.614 11322.665 0.00 2.54212 35.89 1 3 0 2 o 10791.870 11322.665 0.00 2.54212 17.21 1 1 -2 1 o 500.295 601.322 0.00 2.44574 1.40 1 1 -2 2 o 531.285 601.322 0.00 2.44574 0.74 0 0 2 1 o 3773.796 3836.773 0.00 2.43382 4.48 0 0 2 2 o 3768.445 3836.773 0.00 2.43382 2.23 1 3 -1 1 o 4025.897 4042.773 0.00 2.43379 11.55 1 3 -1 2 o 3996.498 4042.773 0.00 2.43379 5.70 2 0 -2 1 o 31537.873 27897.975 0.00 2.10967 32.14 2 0 -2 2 o 31208.973 27897.975 0.00 2.10967 15.82 2 2 -1 1 o 1408.389 351.902 0.00 2.21196 3.52 2 2 -1 2 o 1324.932 351.902 0.00 2.21196 1.65 0 4 0 1 o 957.136 166.062 0.00 2.23455 1.24 0 4 0 2 o 1018.425 166.062 0.00 2.23455 0.65 0 2 2 1 o 929.397 948.590 0.00 2.13742 1.87 0 2 2 2 o 917.191 948.590 0.00 2.13742 0.92 2 2 0 1 o 1002.221 1051.277 0.00 2.13967 2.34 2 2 0 2 o 980.234 1051.277 0.00 2.13967 1.14 1 3 1 1 o 31730.604 28962.523 0.00 2.10785 64.58 1 3 1 2 o 31806.115 28962.523 0.00 2.10785 32.20 0 4 1 1 o 949.923 765.417 0.00 2.03079 1.96 0 4 1 2 o 1004.070 765.417 0.00 2.03079 1.03 2 0 1 1 o 6848.859 6934.821 0.00 1.93596 5.63 2 0 1 2 o 7063.063 6934.821 0.00 1.93596 2.89 2 2 -2 1 o 1087.544 1063.651 0.00 1.90779 1.90 2 2 -2 2 o 1122.183 1063.651 0.00 1.90779 0.98 1 3 -2 1 o 6629.651 6862.077 0.00 1.93414 10.88 1 3 -2 2 o 6900.316 6862.077 0.00 1.93414 5.64 1 1 2 1 o 463.395 411.832 0.00 1.89092 0.73 1 1 2 2 o 557.931 411.832 0.00 1.89092 0.43 2 2 1 1 o 79.499 1626.000 0.00 1.77645 0.19 2 2 1 2 o 197.419 1626.000 0.00 1.77645 0.18 3 1 -1 1 o 573.885 200.065 0.00 1.69235 0.83 3 1 -1 2 o 731.207 200.065 0.00 1.69235 0.52 1 1 -3 1 o 1969.610 236.148 0.00 1.69012 2.30 1 1 -3 2 o 1819.534 236.148 0.00 1.69012 1.06 2 0 -3 1 o 13024.088 8840.378 0.00 1.62337 7.19 2 0 -3 2 o 12894.406 8840.378 0.00 1.62337 3.54 0 4 2 1 o 1874.959 873.740 0.00 1.64601 2.29 0 4 2 2 o 1616.001 873.740 0.00 1.64601 0.98 3 1 -2 1 o 3024.381 1799.014 0.00 1.59841 3.73 2 4 -1 1 o 95.376 25.961 0.00 1.67934 0.15 1 5 0 1 o 2665.983 1100.287 0.00 1.67833 3.69 2 4 -1 2 o 78.621 25.961 0.00 1.67934 0.06 3 1 -2 2 o 3112.435 1799.014 0.00 1.59841 1.91 1 5 0 2 o 2857.046 1100.287 0.00 1.67833 1.97 3 1 0 1 o 15.398 4.478 0.00 1.59857 0.04 3 1 0 2 o 16.148 4.478 0.00 1.59857 0.02 2 4 0 1 o 1280.286 900.641 0.00 1.64704 1.73 1 5 -1 1 o 515.235 406.776 0.00 1.64600 0.70 2 4 0 2 o 1124.972 900.641 0.00 1.64704 0.76 1 5 -1 2 o 524.774 406.776 0.00 1.64600 0.36 1 3 2 1 o 10598.548 9144.448 0.00 1.62262 11.65 1 3 2 2 o 11083.723 9144.448 0.00 1.62262 6.07 0 0 3 1 o 4863.917 4337.767 0.00 1.62254 2.46 0 0 3 2 o 5175.781 4337.767 0.00 1.62254 1.30 0 2 3 1 o 431.071 409.815 0.00 1.52514 0.43 0 2 3 2 o 487.873 409.815 0.00 1.52514 0.24 2 2 -3 1 o 1213.106 1257.469 0.00 1.52582 1.26 2 2 -3 2 o 1361.338 1257.469 0.00 1.52582 0.70 2 4 -2 1 o -0.379 0.268 0.00 1.53401 0.01 1 5 1 1 o 1762.270 1920.860 0.00 1.53331 1.98 2 4 -2 2 o -2.911 0.268 0.00 1.53401 0.00 1 5 1 2 o 1316.661 1920.860 0.00 1.53331 0.74 3 3 -1 1 o 14116.285 14635.301 0.00 1.49188 14.94 3 3 -1 2 o 14416.527 14635.301 0.00 1.49188 7.59 2 0 2 1 o 15280.601 15976.358 0.00 1.49125 6.98 2 0 2 2 o 15347.766 15976.358 0.00 1.49125 3.49 0 6 0 1 o 14874.672 15532.060 0.00 1.48970 7.86 0 6 0 2 o 14520.371 15532.060 0.00 1.48970 3.81 1 3 -3 1 o 15264.264 15922.186 0.00 1.49036 13.93 1 3 -3 2 o 14790.279 15922.186 0.00 1.49036 6.71 2 4 1 1 o 781.298 1143.709 0.00 1.46320 0.82 1 5 -2 1 o 162.914 276.978 0.00 1.46241 0.18 2 4 1 2 o 1100.754 1143.709 0.00 1.46320 0.56 1 5 -2 2 o 298.169 276.978 0.00 1.46241 0.16 3 3 0 1 o 5821.838 6285.494 0.00 1.42645 5.49 3 3 -2 1 o 5403.848 5870.455 0.00 1.42634 5.09 0 6 1 1 o 6046.696 6220.897 0.00 1.42448 5.69 3 3 0 2 o 5769.676 6285.494 0.00 1.42645 2.71 3 3 -2 2 o 5322.356 5870.455 0.00 1.42634 2.50 0 6 1 2 o 5313.506 6220.897 0.00 1.42448 2.48 3 1 -3 1 o -49.770 875.485 0.00 1.38935 0.00 3 1 -3 2 o -49.770 875.485 0.00 1.38935 0.00 2 2 2 1 o 225.927 723.326 0.00 1.41458 0.22 2 2 2 2 o 212.082 723.326 0.00 1.41458 0.10 3 1 1 1 o -31.131 402.804 0.00 1.38956 0.00 3 1 1 2 o -31.131 402.804 0.00 1.38956 0.00 1 1 3 1 o 165.413 353.622 0.00 1.38832 0.15 1 1 3 2 o 121.757 353.622 0.00 1.38832 0.06 4 0 -1 1 o 1199.832 3886.542 0.00 1.28762 0.46 0 4 3 1 o -25.650 240.917 0.00 1.31293 0.00 4 0 -1 2 o 2051.720 3886.542 0.00 1.28762 0.40 0 4 3 2 o -20.418 240.917 0.00 1.31293 0.00 4 0 -2 1 o 2580.367 3082.776 0.00 1.27281 0.99 4 0 -2 2 o 2706.779 3082.776 0.00 1.27281 0.52 1 5 2 1 o 88.653 405.876 0.00 1.31297 0.09 1 5 2 2 o 139.599 405.876 0.00 1.31297 0.06 2 4 -3 1 o 177.189 590.019 0.00 1.31337 0.17 2 4 -3 2 o 215.547 590.019 0.00 1.31337 0.10 2 0 -4 1 o 2379.336 2431.899 0.00 1.27139 0.78 2 0 -4 2 o 2388.721 2431.899 0.00 1.27139 0.39 0 6 2 1 o 2166.598 2167.015 0.00 1.27058 1.58 3 3 -3 1 o 2713.593 2711.464 0.00 1.27186 1.97 0 6 2 2 o 2155.391 2167.015 0.00 1.27058 0.78 2 6 -1 1 o 4255.810 4273.581 0.00 1.28573 3.36 3 3 -3 2 o 2733.642 2711.464 0.00 1.27186 0.99 3 3 1 1 o 2622.009 2609.392 0.00 1.27202 1.90 2 6 -1 2 o 3269.754 4273.581 0.00 1.28573 1.28 1 1 -4 1 o 383.746 377.621 0.00 1.27268 0.27 3 3 1 2 o 2642.610 2609.392 0.00 1.27202 0.96 1 3 3 1 o 2204.404 2168.029 0.00 1.27107 1.45 1 1 -4 2 o 389.850 377.621 0.00 1.27268 0.14 1 3 3 2 o 2220.800 2168.029 0.00 1.27107 0.72 2 6 0 1 o 2442.041 2372.026 0.00 1.27106 1.88 2 6 0 2 o 2481.659 2372.026 0.00 1.27106 0.95 4 2 -1 1 o 1525.980 879.410 0.00 1.23729 1.18 4 2 -1 2 o 1861.140 879.410 0.00 1.23729 0.72 4 2 -2 1 o 802.271 467.165 0.00 1.22413 0.61 4 0 0 1 o 10754.936 8696.371 0.00 1.21857 3.81 4 2 -2 2 o 650.951 467.165 0.00 1.22413 0.25 4 0 0 2 o 10141.601 8696.371 0.00 1.21857 1.79 2 4 2 1 o 16.700 10.667 0.00 1.24040 0.02 3 5 -1 1 o 905.135 697.919 0.00 1.24076 0.71 1 5 -3 1 o 1127.021 809.733 0.00 1.23988 0.79 2 4 2 2 o 23.682 10.667 0.00 1.24040 0.01 3 5 -1 2 o 1184.612 697.919 0.00 1.24076 0.46 1 5 -3 2 o 1474.429 809.733 0.00 1.23988 0.51 1 7 0 1 o 610.627 274.539 0.00 1.23521 0.48 1 7 0 2 o 802.329 274.539 0.00 1.23521 0.31 2 2 -4 1 o 588.641 402.840 0.00 1.22287 0.39 2 2 -4 2 o 467.492 402.840 0.00 1.22287 0.16 1 7 -1 1 o 445.769 344.073 0.00 1.22215 0.36 1 7 -1 2 o 374.336 344.073 0.00 1.22215 0.15 0 0 4 1 o 10834.626 10261.714 0.00 1.21691 3.17 4 0 -3 1 o 4200.990 3726.760 0.00 1.18197 1.40 2 6 -2 1 o 9638.853 9163.028 0.00 1.21690 6.81 0 0 4 2 o 9973.902 10261.714 0.00 1.21691 1.45 4 0 -3 2 o 3981.073 3726.760 0.00 1.18197 0.66 2 6 -2 2 o 8814.202 9163.028 0.00 1.21690 3.10 3 5 0 1 o 117.300 84.410 0.00 1.20235 0.09 3 5 -2 1 o 856.026 639.897 0.00 1.20228 0.63 3 5 0 2 o 119.683 84.410 0.00 1.20235 0.05 3 5 -2 2 o 874.404 639.897 0.00 1.20228 0.32 4 2 0 1 o 231.370 183.314 0.00 1.17565 0.17 3 1 -4 1 o 1.642 0.795 0.00 1.17112 0.00 4 2 0 2 o 236.924 183.314 0.00 1.17565 0.09 3 1 -4 2 o 0.471 0.795 0.00 1.17112 0.00 2 0 3 1 o 5321.465 5562.579 0.00 1.18102 1.54 0 2 4 1 o 385.549 256.603 0.00 1.17416 0.23 2 0 3 2 o 5692.897 5562.579 0.00 1.18102 0.82 0 2 4 2 o 331.302 256.603 0.00 1.17416 0.10 3 1 2 1 o 838.713 663.824 0.00 1.17130 0.55 2 6 1 1 o 2932.745 3174.882 0.00 1.18063 1.94 1 3 -4 1 o 4952.544 5433.740 0.00 1.18054 2.87 3 1 2 2 o 669.211 663.824 0.00 1.17130 0.22 2 6 1 2 o 3357.683 3174.882 0.00 1.18063 1.11 1 3 -4 2 o 5792.749 5433.740 0.00 1.18054 1.68 1 7 1 1 o 60.862 41.040 180.00 1.17383 0.04 1 7 1 2 o 50.503 41.040 180.00 1.17383 0.02 4 2 -3 1 o -6.702 1.268 0.00 1.14268 0.00 4 2 -3 2 o -6.702 1.268 0.00 1.14268 0.00 2 2 3 1 o 56.201 54.447 0.00 1.14182 0.04 2 2 3 2 o 99.020 54.447 0.00 1.14182 0.03 1 7 -2 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