#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:23:11 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1239 $ #$URL: svn://localhost/testcod/cif/4/10/00/4100019.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4100019 loop_ _publ_author_name 'Dorset, Douglas L.' 'Kennedy, Gordon J.' 'Strohmaier, Karl G.' 'Diaz-Caba\~nas, Maria J.' 'Rey, Fernando' 'Corma, Avelino' _publ_section_title ; P-Derived Organic Cations as Structure-Directing Agents:  Synthesis of a High-Silica Zeolite (ITQ-27) with a Two-Dimensional 12-Ring Channel System ; _journal_issue 27 _journal_name_full 'Journal of the American Chemical Society' _journal_page_first 8862 _journal_page_last 8867 _journal_paper_doi 10.1021/ja061206o _journal_volume 128 _journal_year 2006 _chemical_compound_source Synthetic _chemical_formula_structural Al5Si147O304 _chemical_formula_sum 'O38 Si19' _chemical_formula_weight 1141.60 _chemical_name_common ITQ-27 _chemical_name_systematic silicogermanate _space_group_IT_number 69 _space_group_name_Hall '-F 2 2' _space_group_name_H-M_alt 'F m m m' _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 69 _symmetry_space_group_name_H-M 'F m m m' _audit_creation_date 'Feb 6, 2006' _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2006-02-06T10:17 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 8 _cell_length_a 27.7508(5) _cell_length_b 25.2969(7) _cell_length_c 13.7923(4) _cell_measurement_temperature 298 _cell_volume 9682.3(4) _computing_structure_refinement GSAS _computing_structure_solution FOCUS _diffrn_radiation_polarisn_ratio 0.93 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.8702 _diffrn_source Synchrotron _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_crystal_density_diffrn 1.565 _pd_block_id 2006-02-06T10:17|ITQ27SYN|r,_Douglas_L._Dorset|Brookhaven_X10B _pd_calc_method 'Rietveld Refinement' _pd_char_colour white _pd_instr_location 'Brookhaven X10B' _pd_meas_2theta_range_inc 0.005 _pd_meas_2theta_range_max 51.945 _pd_meas_2theta_range_min 2.0 _pd_meas_number_of_points 9990 _pd_phase_name 'itq27 synchrotron' _pd_proc_2theta_range_inc 0.005 _pd_proc_2theta_range_max 51.945 _pd_proc_2theta_range_min 2.0 _pd_proc_info_datetime 2006-02-06T10:17:57 _pd_proc_ls_background_function ; GSAS Background function number 1 with 12 terms. Shifted Chebyshev function of 1st kind 1: 106.075 2: -59.9118 3: 27.4533 4: -18.9511 5: -2.14558 6: -3.89957 7: 11.5505 8: 0.380852 9: -6.75093 10: 13.9092 11: -13.5480 12: 5.40143 ; _pd_proc_ls_peak_cutoff 0.00100 _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) = 0.000 #2(GV) = 15.960 #3(GW) = 0.274 #4(LX) = 1.254 #5(LY) = 32.580 #6(trns) = 0.000 #7(asym) = 0.1175 #8(shft) = 0.0660 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0807 _pd_proc_ls_prof_wR_expected 0.0680 _pd_proc_ls_prof_wR_factor 0.1150 _pd_proc_number_of_points 9990 _refine_ls_goodness_of_fit_all 1.95 _refine_ls_matrix_type full _refine_ls_number_parameters 60 _refine_ls_number_restraints 0 _refine_ls_R_Fsqd_factor 0.11785 _refine_ls_shift/su_max 0.02 _refine_ls_shift/su_mean 0.00 _reflns_d_resolution_high 0.975 _reflns_d_resolution_low 13.875 _reflns_limit_h_max 28 _reflns_limit_h_min 0 _reflns_limit_k_max 25 _reflns_limit_k_min 0 _reflns_limit_l_max 14 _reflns_limit_l_min 0 _reflns_number_total 1522 _cod_data_source_file ja061206osi20060511_030112.cif _cod_data_source_block ITQ27SYN_publ _cod_original_cell_volume 9682.3(3) _cod_original_sg_symbol_H-M Fmmm _cod_database_code 4100019 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x,+y,+z 3 +x,-y,+z 4 -x,-y,+z -1 -x,-y,-z -2 +x,-y,-z -3 -x,+y,-z -4 +x,+y,-z 101 +x,+y+1/2,+z+1/2 102 -x,+y+1/2,+z+1/2 103 +x,-y+1/2,+z+1/2 104 -x,-y+1/2,+z+1/2 -101 -x,-y+1/2,-z+1/2 -102 +x,-y+1/2,-z+1/2 -103 -x,+y+1/2,-z+1/2 -104 +x,+y+1/2,-z+1/2 201 +x+1/2,+y,+z+1/2 202 -x+1/2,+y,+z+1/2 203 +x+1/2,-y,+z+1/2 204 -x+1/2,-y,+z+1/2 -201 -x+1/2,-y,-z+1/2 -202 +x+1/2,-y,-z+1/2 -203 -x+1/2,+y,-z+1/2 -204 +x+1/2,+y,-z+1/2 301 +x+1/2,+y+1/2,+z 302 -x+1/2,+y+1/2,+z 303 +x+1/2,-y+1/2,+z 304 -x+1/2,-y+1/2,+z -301 -x+1/2,-y+1/2,-z -302 +x+1/2,-y+1/2,-z -303 -x+1/2,+y+1/2,-z -304 +x+1/2,+y+1/2,-z loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Si SI1 0.14784(19) 0.09954(24) 0.1968(4) 1.0 Uiso 0.0152(12) 32 Si SI2 0.30329(19) 0.0 0.2101(4) 1.0 Uiso 0.0152(12) 16 Si SI3 0.05439(20) 0.06565(17) 0.1128(4) 1.0 Uiso 0.0152(12) 32 Si SI4 0.28005(28) 0.19587(24) 0.0 1.0 Uiso 0.0152(12) 16 Si SI5 0.30680(17) 0.19344(23) 0.2129(4) 1.0 Uiso 0.0152(12) 32 Si SI6 0.20503(25) 0.10108(30) 0.0 1.0 Uiso 0.0152(12) 16 Si SI7 0.2704(4) 0.0 0.0 1.0 Uiso 0.0152(12) 8 O O8 0.09082(21) 0.0951(4) 0.1829(7) 1.0 Uiso 0.0318(20) 32 O O9 0.17252(27) 0.1027(5) 0.09485(33) 1.0 Uiso 0.0318(20) 32 O O10 0.15335(30) 0.15391(29) 0.2514(8) 1.0 Uiso 0.0318(20) 32 O O11 0.16931(32) 0.05189(20) 0.2551(7) 1.0 Uiso 0.0318(20) 32 O O12 0.25 0.0 0.25 1.0 Uiso 0.0318(20) 8 O O13 0.30403(31) 0.0 0.09462(31) 1.0 Uiso 0.0318(20) 16 O O14 0.0575(7) 0.0 0.1204(14) 1.0 Uiso 0.0318(20) 16 O O15 0.0634(6) 0.0831(6) 0.0 1.0 Uiso 0.0318(20) 16 O O16 0.0 0.0841(7) 0.1429(12) 1.0 Uiso 0.0318(20) 16 O O17 0.31258(28) 0.1930(4) 0.90342(29) 1.0 Uiso 0.0318(20) 32 O O18 0.2428(5) 0.14828(33) 0.0 1.0 Uiso 0.0318(20) 16 O O19 0.25 0.25 0.0 1.0 Uiso 0.0318(20) 8 O O20 0.25 0.1846(7) 0.25 1.0 Uiso 0.0318(20) 16 O O21 0.3264(5) 0.25 0.25 1.0 Uiso 0.0318(20) 16 O O22 0.2361(4) 0.05015(20) 0.0 1.0 Uiso 0.0318(20) 16 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 Si 152.0 0.105 0.107 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100 81.6937 1.14070 International_Tables_Vol_C O 304.0 0.014 0.009 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C 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 O8 SI1 O9 109.2(5) 1_555 . 1_555 N O8 SI1 O10 102.4(5) 1_555 . 1_555 N O8 SI1 O11 112.6(6) 1_555 . 1_555 N O9 SI1 O10 110.0(6) 1_555 . 1_555 N O9 SI1 O11 109.5(6) 1_555 . 1_555 N O10 SI1 O11 112.9(5) 1_555 . 1_555 N O11 SI2 O11 111.2(7) -201_445 . -203_445 N O11 SI2 O12 110.0(4) -201_445 . 1_555 N O11 SI2 O13 107.2(4) -201_555 . 1_555 N O11 SI2 O12 110.0(4) -203_445 . 1_555 N O11 SI2 O13 107.2(4) -203_555 . 1_555 N O12 SI2 O13 111.1(5) 1_555 . 1_555 N O8 SI3 O14 113.4(6) 1_555 . 1_555 N O8 SI3 O15 110.8(5) 1_555 . 1_555 N O8 SI3 O16 107.5(4) 1_555 . 1_555 N O14 SI3 O15 108.7(5) 1_555 . 1_555 N O14 SI3 O16 108.4(5) 1_555 . 1_555 N O15 SI3 O16 107.8(5) 1_555 . 1_555 N O17 SI4 O17 111.6(6) 1_554 . -4_556 N O17 SI4 O18 109.3(5) 1_554 . 1_555 N O17 SI4 O19 109.3(4) 1_554 . 1_555 N O17 SI4 O18 109.3(5) -4_556 . 1_555 N O17 SI4 O19 109.3(4) -4_556 . 1_555 N O18 SI4 O19 108.0(6) 1_555 . 1_555 N O10 SI5 O17 103.7(5) -203_555 . -4_556 N O10 SI5 O20 118.9(6) -203_555 . 1_555 N O10 SI5 O21 103.2(5) -203_555 . 1_555 N O17 SI5 O20 113.4(4) -4_556 . 1_555 N O17 SI5 O21 106.7(5) -4_556 . 1_555 N O20 SI5 O21 109.9(5) 1_555 . 1_555 N O9 SI6 O9 110.8(6) 1_555 . -4_555 N O9 SI6 O18 110.8(5) 1_555 . 1_555 N O9 SI6 O22 109.7(5) 1_555 . 1_555 N O9 SI6 O18 110.8(5) -4_555 . 1_555 N O9 SI6 O22 109.7(5) -4_555 . 1_555 N O18 SI6 O22 104.9(6) 1_555 . 1_555 N O13 SI7 O13 108.9(6) 1_555 . -2_555 N O13 SI7 O22 110.41(19) 1_555 . 1_555 N O13 SI7 O22 110.41(19) 1_555 . 3_555 N O13 SI7 O22 110.41(19) -2_555 . 1_555 N O13 SI7 O22 110.41(19) -2_555 . 3_555 N O22 SI7 O22 106.3(7) 1_555 . 3_555 N SI1 O8 SI3 137.6(7) 1_555 . 1_555 N SI1 O9 SI6 170.3(6) 1_555 . 1_555 N SI1 O10 SI5 140.7(7) 1_555 . -203_454 N SI1 O11 SI2 166.2(8) 1_555 . -201_544 N SI2 O12 SI2 179.972 1_555 . -201_544 N SI2 O13 SI7 143.7(5) 1_555 . 1_555 N SI3 O14 SI3 170.7(12) 1_555 . 3_555 N SI3 O15 SI3 143.8(10) 1_555 . -4_555 N SI3 O16 SI3 135.1(9) 1_555 . 2_555 N SI4 O17 SI5 140.1(5) 1_556 . -4_556 N SI4 O18 SI6 179.397(11) 1_555 . 1_555 N SI4 O19 SI4 180.0 1_555 . 304_555 N SI5 O20 SI5 164.7(11) 1_555 . -203_454 N SI5 O21 SI5 140.6(10) 1_555 . -102_454 N SI6 O22 SI7 177.0(7) 1_555 . 1_555 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag SI1 SI3 2.967(8) . 1_555 N SI1 SI5 2.962(8) . -203_454 N SI1 O8 1.598(5) . 1_555 N SI1 O9 1.566(5) . 1_555 N SI1 O10 1.576(5) . 1_555 N SI1 O11 1.567(5) . 1_555 N SI2 SI7 3.039(6) . 1_555 N SI2 O11 1.5911(34) . -201_454 N SI2 O11 1.5911(34) . -203_454 N SI2 O12 1.578(5) . 1_555 N SI2 O13 1.593(5) . 1_555 N SI3 SI1 2.967(8) . 1_555 N SI3 SI3 3.019(11) . 2_555 N SI3 O8 1.584(5) . 1_555 N SI3 O14 1.666(4) . 1_555 N SI3 O15 1.637(5) . 1_555 N SI3 O16 1.633(5) . 1_555 N SI4 SI5 3.030(6) . 1_555 N SI4 SI5 3.030(6) . -4_555 N SI4 O17 1.611(4) . 1_554 N SI4 O17 1.611(4) . -4_556 N SI4 O18 1.587(5) . 1_555 N SI4 O19 1.603(5) . 1_555 N SI5 SI1 2.962(8) . -203_454 N SI5 SI4 3.030(6) . 1_555 N SI5 SI5 3.039(11) . -102_544 N SI5 O10 1.570(5) . -203_454 N SI5 O17 1.613(5) . -4_556 N SI5 O20 1.672(4) . 1_555 N SI5 O21 1.614(5) . 1_555 N SI6 O9 1.5896(34) . 1_555 N SI6 O9 1.5896(34) . -4_555 N SI6 O18 1.588(5) . 1_555 N SI6 O22 1.551(5) . 1_555 N SI7 SI2 3.039(6) . 1_555 N SI7 SI2 3.039(6) . -2_555 N SI7 O13 1.604(4) . 1_555 N SI7 O13 1.604(4) . -2_555 N SI7 O22 1.585(4) . 1_555 N SI7 O22 1.585(4) . 3_555 N O8 SI1 1.598(5) . 1_555 N O8 SI3 1.584(5) . 1_555 N O9 SI1 1.566(5) . 1_555 N O9 SI6 1.5896(34) . 1_555 N O10 SI1 1.576(5) . 1_555 N O10 SI5 1.570(5) . -203_454 N O11 SI1 1.567(5) . 1_555 N O11 SI2 1.5911(34) . -201_454 N O12 SI2 1.578(5) . 1_555 N O12 SI2 1.578(5) . -201_454 N O13 SI2 1.593(5) . 1_555 N O13 SI7 1.604(4) . 1_555 N O14 SI3 1.666(4) . 1_555 N O14 SI3 1.666(4) . 3_555 N O15 SI3 1.637(5) . 1_555 N O15 SI3 1.637(5) . -4_555 N O16 SI3 1.633(5) . 1_555 N O16 SI3 1.633(5) . 2_555 N O17 SI4 1.611(4) . 1_556 N O17 SI5 1.613(5) . -4_556 N O18 SI4 1.587(5) . 1_555 N O18 SI6 1.588(5) . 1_555 N O19 SI4 1.603(5) . 1_555 N O19 SI4 1.603(5) . 304_555 N O20 SI5 1.672(4) . 1_555 N O20 SI5 1.672(4) . -203_454 N O21 SI5 1.614(5) . 1_555 N O21 SI5 1.614(5) . -102_544 N O22 SI6 1.551(5) . 1_555 N O22 SI7 1.585(4) . 1_555 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 413.0 0.0 185.12650 . 413.0 0.0 185.70526 . 413.0 0.0 186.27946 . 400.0 0.0 186.84915 . 406.0 0.0 187.41435 . 396.0 0.0 187.97516 . 404.0 0.0 188.53139 . 414.0 0.0 189.08322 . 418.0 0.0 189.63071 . 401.0 0.0 190.17368 . 399.0 0.0 190.71237 . 403.0 0.0 191.24667 . 399.0 0.0 191.77657 . 408.0 0.0 192.30220 . 405.0 0.0 192.82349 . 369.0 0.0 193.34048 . 365.0 0.0 193.85323 . 368.0 0.0 194.36168 . 363.0 0.0 194.86592 . 375.0 0.0 195.36594 . 361.0 0.0 195.86171 . 375.0 0.0 196.35329 . 384.0 0.0 196.84070 . 382.0 0.0 197.32404 . 385.0 0.0 197.80315 . 384.0 0.0 198.27820 . 385.0 0.0 198.74905 . 392.0 0.0 199.21593 . 388.0 0.0 199.67865 . 394.0 0.0 200.13734 . 401.0 0.0 200.59206 . 391.0 0.0 201.04268 . 366.0 0.0 201.48933 . 348.0 0.0 201.93196 . 339.0 0.0 202.37067 . 342.0 0.0 202.80540 . 343.0 0.0 203.23621 . 348.0 0.0 203.66310 . 369.0 0.0 204.08609 . 368.0 0.0 204.50516 . 364.0 0.0 204.92039 . 352.0 0.0 205.33170 . 352.0 0.0 205.73927 . 358.0 0.0 206.14296 . 368.0 0.0 206.54289 . 359.0 0.0 206.93898 . 364.0 0.0 207.33134 . 359.0 0.0 207.71991 . 360.0 0.0 208.10477 . 354.0 0.0 208.48586 . 341.0 0.0 208.86328 . 346.0 0.0 209.23703 . 345.0 0.0 209.60703 . 356.0 0.0 209.97342 . 360.0 0.0 210.33615 . 364.0 0.0 210.69527 . 357.0 0.0 211.05074 . 349.0 0.0 211.40263 . 336.0 0.0 211.75092 . 343.0 0.0 212.09564 . 349.0 0.0 212.43681 . 346.0 0.0 212.77449 . 336.0 0.0 213.10863 . 321.0 0.0 213.43922 . 308.0 0.0 213.76636 . 318.0 0.0 214.09004 . 336.0 0.0 214.41020 . 353.0 0.0 214.72697 . 351.0 0.0 215.04030 . 348.0 0.0 215.35020 . 348.0 0.0 215.65669 . 344.0 0.0 215.95981 . 343.0 0.0 216.25954 . 343.0 0.0 216.55594 . 332.0 0.0 216.84904 . 330.0 0.0 217.13870 . 334.0 0.0 217.42516 . 329.0 0.0 217.70828 . 327.0 0.0 217.98810 . 330.0 0.0 218.26471 . 322.0 0.0 218.53801 . 313.0 0.0 218.80811 . 311.0 0.0 219.07498 . 304.0 0.0 219.33864 . 301.0 0.0 219.59908 . 321.0 0.0 219.85637 . 326.0 0.0 220.11052 . 332.0 0.0 220.36148 . 338.0 0.0 220.60931 . 332.0 0.0 220.85400 . 320.0 0.0 221.09560 . 322.0 0.0 221.33412 . 308.0 0.0 221.56955 . 305.0 0.0 221.80191 . 302.0 0.0 222.03123 . 306.0 0.0 222.25749 . 307.0 0.0 222.48076 . 313.0 0.0 222.70099 . 316.0 0.0 222.91823 . 313.0 0.0 223.13248 . 309.0 0.0 223.34380 . 298.0 0.0 223.55211 . 291.0 0.0 223.75752 . 301.0 0.0 223.95999 . 306.0 0.0 224.15953 . 299.0 0.0 224.35619 . 294.0 0.0 224.54999 . 281.0 0.0 224.74088 . 275.0 0.0 224.92891 . 274.0 0.0 225.11412 . 282.0 0.0 225.29645 . 285.0 0.0 225.47600 . 297.0 0.0 225.65274 . 309.0 0.0 225.82668 . 306.0 0.0 225.99783 . 320.0 0.0 226.16623 . 309.0 0.0 226.33191 . 290.0 0.0 226.49480 . 284.0 0.0 226.65497 . 289.0 0.0 226.81244 . 302.0 0.0 226.96716 . 304.0 0.0 227.11926 . 300.0 0.0 227.26869 . 291.0 0.0 227.41541 . 295.0 0.0 227.55949 . 290.0 0.0 227.70091 . 291.0 0.0 227.83974 . 293.0 0.0 227.97597 . 292.0 0.0 228.10962 . 294.0 0.0 228.24060 . 290.0 0.0 228.36905 . 292.0 0.0 228.49496 . 289.0 0.0 228.61830 . 287.0 0.0 228.73912 . 282.0 0.0 228.85742 . 284.0 0.0 228.97319 . 277.0 0.0 229.08647 . 287.0 0.0 229.19727 . 292.0 0.0 229.30559 . 290.0 0.0 229.41144 . 279.0 0.0 229.51483 . 278.0 0.0 229.61580 . 274.0 0.0 229.71436 . 277.0 0.0 229.81047 . 286.0 0.0 229.90422 . 288.0 0.0 229.99557 . 282.0 0.0 230.08452 . 288.0 0.0 230.17113 . 284.0 0.0 230.25536 . 287.0 0.0 230.33727 . 290.0 0.0 230.41684 . 292.0 0.0 230.49411 . 290.0 0.0 230.56905 . 279.0 0.0 230.64171 . 270.0 0.0 230.71210 . 281.0 0.0 230.78021 . 284.0 0.0 230.84605 . 285.0 0.0 230.90967 . 284.0 0.0 230.97099 . 274.0 0.0 231.03015 . 276.0 0.0 231.08708 . 283.0 0.0 231.14182 . 279.0 0.0 231.19432 . 274.0 0.0 231.24466 . 276.0 0.0 231.29286 . 276.0 0.0 231.33890 . 280.0 0.0 231.38280 . 283.0 0.0 231.42456 . 278.0 0.0 231.46419 . 278.0 0.0 231.50171 . 283.0 0.0 231.53712 . 275.0 0.0 231.57045 . 275.0 0.0 231.60173 . 273.0 0.0 231.63092 . 273.0 0.0 231.65804 . 270.0 0.0 231.68314 . 275.0 0.0 231.70615 . 266.0 0.0 231.72719 . 260.0 0.0 231.74625 . 259.0 0.0 231.76324 . 268.0 0.0 231.77827 . 267.0 0.0 231.79134 . 270.0 0.0 231.80243 . 268.0 0.0 231.81152 . 264.0 0.0 231.81871 . 260.0 0.0 231.82394 . 258.0 0.0 231.82727 . 256.0 0.0 231.82866 . 256.0 0.0 231.82813 . 263.0 0.0 231.82574 . 264.0 0.0 231.82144 . 266.0 0.0 231.81528 . 258.0 0.0 231.80725 . 252.0 0.0 231.79738 . 247.0 0.0 231.78563 . 256.0 0.0 231.77208 . 256.0 0.0 231.75671 . 258.0 0.0 231.73953 . 256.0 0.0 231.72050 . 255.0 0.0 231.69972 . 266.0 0.00376 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169.69885 140.0 0.00714 132.99538 167.41263 142.0 0.00704 133.05643 165.84143 152.0 0.00658 133.11745 164.83029 162.0 0.00617 133.17836 164.25244 172.0 0.00581 133.23923 164.01015 165.0 0.00606 133.30002 164.03189 156.0 0.00641 133.36079 164.26750 155.0 0.00645 133.42145 164.68338 153.0 0.00654 133.48206 165.25790 161.0 0.00621 133.54263 165.97791 161.0 0.00621 133.60310 166.83638 153.0 0.00654 133.66354 167.83063 159.0 0.00629 133.72389 168.96117 175.0 0.00571 133.78416 170.23151 173.0 0.00578 133.84439 171.64752 173.0 0.00578 133.90454 173.21735 165.0 0.00606 133.96465 174.95161 158.0 0.00633 134.02466 176.86346 168.0 0.00595 134.08463 178.99809 177.0 0.00565 134.14449 181.31628 174.0 0.00575 134.20430 183.86954 176.0 0.00568 134.26404 186.68440 171.0 0.00585 134.32372 189.79233 176.0 0.00568 134.38329 193.23041 180.0 0.00556 134.44281 197.04243 185.0 0.00541 134.50229 201.28049 189.0 0.00529 134.56165 206.00677 180.0 0.00556 134.62097 211.29616 178.0 0.00562 134.68022 217.23994 184.0 0.00543 134.73935 223.95119 191.0 0.00524 134.79843 231.57347 206.0 0.00485 134.85745 240.29372 223.0 0.00448 134.91637 250.36288 229.0 0.00437 134.97522 262.12686 248.0 0.00403 135.03401 276.07141 261.0 0.00383 135.09270 292.88367 269.0 0.00372 135.15132 313.52893 292.0 0.003425 135.20988 339.33640 317.0 0.003155 135.26831 372.07980 343.0 0.002915 135.32674 414.02615 395.0 0.002532 135.38501 467.92355 462.0 0.002165 135.44325 536.89154 561.0 0.001783 135.50142 624.18616 709.0 0.001410 135.55945 732.81909 902.0 0.001109 135.61743 865.00452 1181.0 0.000847 135.67537 1021.36218 1503.0 0.000665 135.73315 1199.70886 1823.0 0.000549 135.79091 1393.19666 2106.0 0.000475 135.84856 1587.82227 2315.0 0.000432 135.90611 1760.55701 2499.0 0.000400 135.96359 1881.45007 2535.0 0.000394 136.02100 1923.13098 2397.0 0.000417 136.07829 1874.70459 2220.0 0.000450 136.13553 1748.57263 2084.0 0.000480 136.19269 1572.95056 1891.0 0.000529 136.24973 1377.73267 1642.0 0.000609 136.30667 1185.32117 1389.0 0.000720 136.36357 1009.01398 1155.0 0.000866 136.42035 855.12274 955.0 0.001047 136.47707 725.48773 773.0 0.001294 136.53368 619.28845 650.0 0.001538 136.59018 534.20245 568.0 0.001761 136.64662 467.17102 510.0 0.001961 136.70297 414.93256 464.0 0.002155 136.75922 374.38959 407.0 0.002457 136.81537 342.83139 355.0 0.002817 136.87144 318.49622 314.0 0.003185 136.92741 298.73282 290.0 0.003448 136.98331 282.70544 283.0 0.00353 137.03911 269.47803 268.0 0.00373 137.09480 258.38559 254.0 0.00394 137.15039 248.95805 240.0 0.00417 137.20595 240.86078 221.0 0.00452 137.26132 233.85052 211.0 0.00474 137.31662 227.74573 204.0 0.00490 137.37184 222.40692 204.0 0.00490 137.42700 217.72374 199.0 0.00503 137.48203 213.60719 197.0 0.00508 137.53697 209.98427 195.0 0.00513 137.59178 206.79437 196.0 0.00510 137.64653 203.98671 199.0 0.00503 137.70116 201.51865 204.0 0.00490 137.75571 199.35416 198.0 0.00505 137.81015 197.46260 201.0 0.00498 137.86450 195.81812 190.0 0.00526 137.91876 194.39882 180.0 0.00556 137.97289 193.18593 181.0 0.00552 138.02690 192.16374 178.0 0.00562 138.08087 191.31900 182.0 0.00549 138.13470 190.75708 182.0 0.00549 138.18845 190.23717 181.0 0.00552 138.24208 189.86697 180.0 0.00556 138.29562 189.64066 180.0 0.00556 138.34901 189.55371 176.0 0.00568 138.40237 189.60300 173.0 0.00578 138.45558 189.78667 166.0 0.00602 138.50871 190.10388 165.0 0.00606 138.56172 190.55531 166.0 0.00602 138.61462 191.14250 166.0 0.00602 138.66742 191.86836 169.0 0.00592 138.72012 192.73683 169.0 0.00592 138.77272 193.75342 174.0 0.00575 138.82520 194.93007 177.0 0.00565 138.87758 196.26442 173.0 0.00578 138.92984 197.77159 178.0 0.00562 138.98203 199.46324 182.0 0.00549 139.03406 201.35298 180.0 0.00556 139.08601 203.45676 177.0 0.00565 139.13785 205.79300 177.0 0.00565 139.18958 208.38324 180.0 0.00556 139.24120 211.25233 187.0 0.00535 139.29269 214.42920 188.0 0.00532 139.34409 217.94737 184.0 0.00543 139.39537 221.84592 183.0 0.00546 139.44658 226.17041 175.0 0.00571 139.49759 230.97441 187.0 0.00535 139.54854 236.32104 201.0 0.00498 139.59938 242.28549 205.0 0.00488 139.65013 248.95808 207.0 0.00483 139.70073 256.44907 216.0 0.00463 139.75124 264.89529 219.0 0.00457 139.80162 274.47009 230.0 0.00435 139.85188 285.39771 244.0 0.00410 139.90204 297.97351 265.0 0.00377 139.95207 312.59164 290.0 0.003448 140.00201 329.78137 312.0 0.003205 140.05182 350.25116 342.0 0.002924 140.10149 374.93893 393.0 0.002545 140.15106 405.11563 449.0 0.002227 140.20052 442.21268 507.0 0.001972 140.24989 488.16165 601.0 0.001664 140.29910 545.16693 685.0 0.001460 140.34821 615.69183 787.0 0.001271 140.39722 702.32990 909.0 0.001100 140.44608 807.58740 1052.0 0.000951 140.49484 933.55585 1208.0 0.000828 140.54347 1081.40100 1372.0 0.000729 140.59200 1250.55994 1544.0 0.000648 140.64041 1437.51404 1735.0 0.000576 140.68866 1634.15454 1833.0 0.000546 140.73679 1826.31995 1909.0 0.000524 140.78484 1994.04126 2051.0 0.000488 140.83273 2115.36353 2158.0 0.000463 140.88055 2173.44678 2267.0 0.000441 140.92822 2162.57544 2321.0 0.000431 140.97575 2088.32910 2289.0 0.000437 141.02319 1963.02332 2211.0 0.000452 141.07048 1801.61938 2067.0 0.000484 141.11765 1621.01587 1821.0 0.000549 141.16470 1434.29028 1580.0 0.000633 141.21164 1254.97791 1324.0 0.000755 141.25845 1091.45764 1088.0 0.000919 141.30511 948.08588 894.0 0.001119 141.35168 826.21289 741.0 0.001350 141.39810 725.16205 620.0 0.001613 141.44440 643.31354 549.0 0.001821 141.49060 578.56403 502.0 0.001992 141.53665 528.73962 461.0 0.002169 141.58257 491.82321 450.0 0.002222 141.62837 466.07190 453.0 0.002208 141.67406 450.04520 443.0 0.002257 141.71959 442.56412 444.0 0.002252 141.76503 442.60983 459.0 0.002179 141.81030 449.16183 482.0 0.002075 141.85547 460.96036 527.0 0.001898 141.90050 476.17734 540.0 0.001852 141.94540 492.05508 556.0 0.001799 141.99019 504.77197 537.0 0.001862 142.03484 510.01782 515.0 0.001942 142.07935 504.43533 480.0 0.002083 142.12373 487.53568 456.0 0.002193 142.16800 461.58231 432.0 0.002315 142.21213 430.49020 396.0 0.002525 142.25612 398.01099 356.0 0.002809 142.29997 366.81317 341.0 0.002933 142.34370 338.42514 313.0 0.003195 142.38728 313.53485 307.0 0.003257 142.43079 292.29752 296.0 0.003378 142.47411 274.55157 279.0 0.00358 142.51733 259.95728 253.0 0.00395 142.56041 248.09032 249.0 0.00402 142.60332 238.50612 224.0 0.00446 142.64612 230.78693 222.0 0.00450 142.68880 224.56975 223.0 0.00448 142.73134 219.56125 217.0 0.00461 142.77373 215.54013 210.0 0.00476 142.81599 212.35252 210.0 0.00476 142.85814 209.90135 201.0 0.00498 142.90013 208.13475 205.0 0.00488 142.94199 207.03282 200.0 0.00500 142.98370 206.59427 201.0 0.00498 143.02531 206.82269 197.0 0.00508 143.06676 207.71140 197.0 0.00508 143.10808 209.22426 204.0 0.00490 143.14925 211.26884 211.0 0.00474 143.19029 213.65869 226.0 0.00442 143.23120 216.06995 222.0 0.00450 143.27197 218.02597 225.0 0.00444 143.31259 218.96959 219.0 0.00457 143.35309 218.45787 211.0 0.00474 143.39343 216.38454 209.0 0.00478 143.43365 213.03946 209.0 0.00478 143.47374 208.94383 199.0 0.00503 143.51367 204.61722 199.0 0.00503 143.55348 200.44231 193.0 0.00518 143.59314 196.64700 186.0 0.00538 143.63263 193.34126 179.0 0.00559 143.67200 190.55885 184.0 0.00543 143.71126 188.28801 180.0 0.00556 143.75037 186.49078 186.0 0.00538 143.78931 185.11627 189.0 0.00529 143.82814 184.10966 182.0 0.00549 143.86681 183.41833 184.0 0.00543 143.90533 182.99641 183.0 0.00546 143.94373 182.80679 176.0 0.00568 143.98198 182.82173 184.0 0.00543 144.02008 183.02269 186.0 0.00538 144.05806 183.39937 187.0 0.00535 144.09586 183.94833 198.0 0.00505 144.13356 184.67244 204.0 0.00490 144.17107 185.57993 196.0 0.00510 144.20845 186.68411 197.0 0.00508 144.24571 188.00372 203.0 0.00493 144.28279 189.56348 210.0 0.00476 144.31975 191.39572 213.0 0.00469 144.35660 193.54240 214.0 0.00467 144.39325 196.05956 204.0 0.00490 144.42978 199.02240 202.0 0.00495 144.46616 202.53452 204.0 0.00490 144.50238 206.73984 205.0 0.00488 144.53847 211.83835 209.0 0.00478 144.57440 218.10559 216.0 0.00463 144.61021 224.61665 219.0 0.00457 144.64587 234.46715 229.0 0.00437 144.68137 246.96021 238.0 0.00420 144.71672 262.83398 255.0 0.00392 144.75194 282.92566 282.0 0.00355 144.78702 308.11734 310.0 0.003226 144.82195 339.25015 363.0 0.002755 144.85670 376.99954 405.0 0.002469 144.89133 421.69839 484.0 0.002066 144.92578 473.07581 589.0 0.001698 144.96011 529.85504 706.0 0.001416 144.99428 589.17181 831.0 0.001203 145.02834 645.94629 874.0 0.001144 145.06221 692.76312 901.0 0.001110 145.09595 721.21033 905.0 0.001105 145.12953 725.03107 866.0 0.001155 145.16295 703.39099 809.0 0.001236 145.19626 661.39673 752.0 0.001330 145.22937 607.32043 676.0 0.001479 145.26236 549.11176 591.0 0.001692 145.29521 492.52991 511.0 0.001957 145.32788 440.99393 447.0 0.002237 145.36040 396.17526 396.0 0.002525 145.39282 358.62820 362.0 0.002762 145.42502 328.24188 331.0 0.003021 145.45712 304.53284 308.0 0.003247 145.48904 286.83661 285.0 0.00351 145.52083 274.43896 267.0 0.00375 145.55246 267.20465 268.0 0.00373 145.58392 263.45517 264.0 0.00379 145.61526 263.22412 266.0 0.00376 145.64647 266.07446 280.0 0.00357 145.67746 271.58142 273.0 0.00366 145.70834 279.24155 271.0 0.00369 145.73901 288.34409 278.0 0.00360 145.76961 297.82309 275.0 0.00364 145.80003 306.17490 288.0 0.003472 145.83029 311.60452 297.0 0.003367 145.86040 312.52890 300.0 0.003333 145.89034 308.25888 298.0 0.003356 145.92014 299.34842 294.0 0.003401 145.94977 287.27875 285.0 0.00351 145.97928 273.76541 274.0 0.00365 146.00861 260.21698 264.0 0.00379 146.03780 247.55469 264.0 0.00379 146.06682 236.27063 261.0 0.00383 146.09569 226.55258 257.0 0.00389 146.12440 218.38829 244.0 0.00410 146.15295 211.63484 229.0 0.00437 146.18138 206.06903 234.0 0.00427 146.20961 201.43744 229.0 0.00437 146.23772 197.51080 223.0 0.00448 146.26569 194.12578 213.0 0.00469 146.29346 191.19116 205.0 0.00488 146.32111 188.66310 198.0 0.00505 146.34857 186.59943 214.0 0.00467 146.37590 184.80957 216.0 0.00463 146.40306 183.35225 208.0 0.00481 146.43007 182.20599 205.0 0.00488 146.45691 181.35515 211.0 0.00474 146.48361 180.79239 206.0 0.00485 146.51015 180.52087 201.0 0.00498 146.53654 180.55576 190.0 0.00526 146.56273 180.92618 191.0 0.00524 146.58882 181.67584 190.0 0.00526 146.61475 182.86284 202.0 0.00495 146.64049 184.55701 207.0 0.00483 146.66606 186.83517 207.0 0.00483 146.69151 189.77296 208.0 0.00481 146.71680 193.43307 216.0 0.00463 146.74191 197.84941 215.0 0.00465 146.76688 203.00323 210.0 0.00476 146.79167 208.78648 202.0 0.00495 146.81633 214.94885 195.0 0.00513 146.84082 221.03444 186.0 0.00538 146.86516 226.35098 190.0 0.00526 146.88931 230.05437 199.0 0.00503 146.91331 231.41005 207.0 0.00483 146.93718 230.13419 210.0 0.00476 146.96088 226.55081 194.0 0.00515 146.98442 221.41634 180.0 0.00556 147.00778 215.57323 183.0 0.00546 147.03101 209.69725 192.0 0.00521 147.05406 204.22485 203.0 0.00493 147.07697 199.39009 209.0 0.00478 147.09972 195.28891 201.0 0.00498 147.12227 191.93140 192.0 0.00521 147.14470 189.27638 194.0 0.00515 147.16695 187.25452 189.0 0.00529 147.18907 185.78329 192.0 0.00521 147.21098 184.77818 200.0 0.00500 147.23277 182.71118 204.0 0.00490 147.25438 182.42712 205.0 0.00488 147.27585 182.40422 198.0 0.00505 147.29712 182.59834 193.0 0.00518 147.31827 182.42354 201.0 0.00498 147.33923 182.96953 210.0 0.00476 147.36008 183.66194 219.0 0.00457 147.38072 184.49959 222.0 0.00450 147.40120 185.46327 208.0 0.00481 147.42151 186.56027 196.0 0.00510 147.44170 187.79297 191.0 0.00524 147.46169 189.16641 185.0 0.00541 147.48155 190.68781 190.0 0.00526 147.50122 192.36653 198.0 0.00505 147.52075 194.21397 212.0 0.00472 147.54012 196.24403 224.0 0.00446 147.55931 198.47290 232.0 0.00431 147.57837 200.91971 220.0 0.00455 147.59723 203.60669 209.0 0.00478 147.61595 206.55989 204.0 0.00490 147.63448 209.80943 214.0 0.00467 147.65288 213.39067 222.0 0.00450 147.67110 217.34488 227.0 0.00441 147.68916 221.72060 223.0 0.00448 147.70708 226.57559 218.0 0.00459 147.72481 231.97890 232.0 0.00431 147.74239 238.01456 238.0 0.00420 147.75980 244.58376 247.0 0.00405 147.77702 252.22467 262.0 0.00382 147.79411 260.90073 277.0 0.00361 147.81105 270.83206 292.0 0.003425 147.82779 282.31107 311.0 0.003215 147.84441 295.72809 333.0 0.003003 147.86084 311.60349 362.0 0.002762 147.87712 330.62448 402.0 0.002488 147.89322 353.68179 438.0 0.002283 147.90915 381.90137 483.0 0.002070 147.92496 416.66174 541.0 0.001848 147.94058 459.58658 595.0 0.001681 147.95601 512.50250 675.0 0.001481 147.97131 577.35168 783.0 0.001277 147.98645 656.05316 911.0 0.001098 148.00139 750.29791 1070.0 0.000935 148.01619 861.25812 1218.0 0.000821 148.03084 989.29834 1334.0 0.000750 148.04532 1132.73523 1475.0 0.000678 148.05962 1287.68787 1583.0 0.000632 148.07376 1446.18445 1703.0 0.000587 148.08775 1595.14673 1820.0 0.000549 148.10158 1716.68188 1900.0 0.000526 148.11522 1791.51184 1982.0 0.000505 148.12869 1805.64233 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148.44826 217.89719 228.0 0.00439 148.45677 214.10857 225.0 0.00444 148.46518 210.67476 230.0 0.00435 148.47340 207.55551 228.0 0.00439 148.48145 204.71669 223.0 0.00448 148.48933 202.12854 217.0 0.00461 148.49707 199.76544 220.0 0.00455 148.50461 197.60513 221.0 0.00452 148.51198 195.62804 229.0 0.00437 148.51923 193.81718 229.0 0.00437 148.52628 192.15756 231.0 0.00433 148.53319 190.63612 227.0 0.00441 148.53992 189.24124 227.0 0.00441 148.54648 187.96278 220.0 0.00455 148.55286 186.79167 207.0 0.00483 148.55908 185.72003 206.0 0.00485 148.56517 184.74089 207.0 0.00483 148.57108 183.84801 210.0 0.00476 148.57681 183.03606 216.0 0.00463 148.58237 182.30016 218.0 0.00459 148.58777 181.63622 210.0 0.00476 148.59303 181.04059 207.0 0.00483 148.59810 180.51024 202.0 0.00495 148.60303 180.04240 196.0 0.00510 148.60777 179.63493 198.0 0.00505 148.61235 178.82759 209.0 0.00478 148.61673 178.54097 213.0 0.00469 148.62103 178.31049 218.0 0.00459 148.62509 178.13544 216.0 0.00463 148.62901 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77.39847 78.0 0.01282 56.53847 77.65322 77.0 0.01299 56.53267 77.89074 74.0 0.01351 56.52694 78.10919 76.0 0.01316 56.52128 78.30679 76.0 0.01316 56.51570 78.48243 80.0 0.01250 56.51019 78.63153 81.0 0.01235 56.50475 78.75299 81.0 0.01235 56.49940 78.84357 80.0 0.01250 56.49411 78.90102 79.0 0.01266 56.48891 78.92287 78.0 0.01282 56.48378 78.90754 79.0 0.01266 56.47872 78.85376 78.0 0.01282 56.47374 78.76105 79.0 0.01266 56.46883 78.63041 82.0 0.01220 56.46400 78.46332 84.0 0.01190 56.45927 78.26254 86.0 0.01163 56.45458 78.03391 87.0 0.01149 56.44999 77.77588 82.0 0.01220 56.44548 77.49534 80.0 0.01250 56.44104 77.19653 78.0 0.01282 56.43670 76.88259 78.0 0.01282 56.43241 76.55982 76.0 0.01316 56.42822 76.23045 77.0 0.01299 56.42410 75.89825 79.0 0.01266 56.42006 75.56581 82.0 0.01220 56.41611 75.23547 79.0 0.01266 56.41224 74.90926 80.0 0.01250 56.40845 74.57391 77.0 0.01299 56.40474 74.25974 75.0 0.01333 56.40112 73.95294 75.0 0.01333 56.39758 73.65410 76.0 0.01316 56.39412 73.36345 78.0 0.01282 56.39075 73.08093 80.0 0.01250 56.38746 72.80590 80.0 0.01250 56.38425 72.53895 79.0 0.01266 56.38113 72.27863 78.0 0.01282 56.37810 72.02577 75.0 0.01333 56.37515 71.77937 73.0 0.01370 56.37228 71.53912 73.0 0.01370 56.36951 71.30212 73.0 0.01370 56.36683 71.07375 75.0 0.01333 56.36422 70.85190 77.0 0.01299 56.36171 70.63646 79.0 0.01266 56.35928 70.42789 80.0 0.01250 56.35694 70.22542 79.0 0.01266 56.35470 70.03317 77.0 0.01299 56.35255 69.85236 75.0 0.01333 56.35047 69.67864 73.0 0.01370 56.34850 69.51475 71.0 0.01408 56.34661 69.35924 70.0 0.01429 56.34481 69.21407 70.0 0.01429 56.34311 69.07740 72.0 0.01389 56.34150 68.94901 73.0 0.01370 56.33999 68.82604 76.0 0.01316 56.33857 68.70882 75.0 0.01333 56.33723 68.59409 74.0 0.01351 56.33599 68.48161 73.0 0.01370 56.33485 68.37045 73.0 0.01370 56.33381 68.25991 73.0 0.01370 56.33285 68.14890 73.0 0.01370 56.33200 68.03844 73.0 0.01370 56.33123 67.92841 74.0 0.01351 56.33056 67.81968 76.0 0.01316 56.33000 67.71330 75.0 0.01333 56.32953 67.61343 74.0 0.01351 56.32915 67.51586 74.0 0.01351 56.32888 67.42522 73.0 0.01370 56.32871 67.34253 72.0 0.01389 56.32865 67.27033 70.0 0.01429 56.32866 67.20835 68.0 0.01471 56.32879 67.15862 70.0 0.01429 56.32902 67.12224 69.0 0.01449 56.32934 67.09985 73.0 0.01370 56.32978 67.09232 76.0 0.01316 56.33031 67.09987 76.0 0.01316 56.33095 67.12241 76.0 0.01316 56.33168 67.16405 73.0 0.01370 56.33253 67.21707 72.0 0.01389 56.33347 67.28405 70.0 0.01429 56.33452 67.36699 70.0 0.01429 56.33568 67.45877 70.0 0.01429 56.33695 67.56020 73.0 0.01370 56.33832 67.66972 74.0 0.01351 56.33979 67.78492 75.0 0.01333 56.34138 67.90344 76.0 0.01316 56.34307 68.02203 74.0 0.01351 56.34487 68.13987 72.0 0.01389 56.34678 68.25446 71.0 0.01408 56.34880 68.36301 71.0 0.01408 56.35092 68.46586 71.0 0.01408 56.35316 68.56129 71.0 0.01408 56.35550 68.64893 71.0 0.01408 56.35797 68.72851 72.0 0.01389 56.36055 68.80044 73.0 0.01370 56.36322 68.86500 70.0 0.01429 56.36602 68.92267 71.0 0.01408 56.36895 68.97427 69.0 0.01449 56.37197 69.01878 66.0 0.01515 56.37512 69.05682 66.0 0.01515 56.37837 69.08833 69.0 0.01449 56.38174 69.11333 70.0 0.01429 56.38523 69.13163 72.0 0.01389 56.38884 69.14220 72.0 0.01389 56.39256 69.14539 75.0 0.01333 56.39640 69.13994 72.0 0.01389 56.40036 69.12586 72.0 0.01389 56.40444 69.10209 71.0 0.01408 56.40864 69.06815 72.0 0.01389 56.41296 69.02380 72.0 0.01389 56.41741 68.96788 76.0 0.01316 56.42196 68.90011 80.0 0.01250 56.42665 68.82016 80.0 0.01250 56.43146 68.72787 78.0 0.01282 56.43638 68.62341 75.0 0.01333 56.44144 68.50732 73.0 0.01370 56.44662 68.37984 73.0 0.01370 56.45193 68.24397 69.0 0.01449 56.45736 68.09768 65.0 0.01538 56.46291 67.94431 66.0 0.01515 56.46859 67.78557 66.0 0.01515 56.47441 67.62379 67.0 0.01493 56.48035 67.46042 68.0 0.01471 56.48642 67.29787 68.0 0.01471 56.49261 67.13825 66.0 0.01515 56.49894 66.98356 66.0 0.01515 56.50540 66.83578 67.0 0.01493 56.51199 66.69665 67.0 0.01493 56.51871 66.56778 66.0 0.01515 56.52557 66.45053 68.0 0.01471 56.53255 66.34631 71.0 0.01408 56.53968 66.25594 71.0 0.01408 56.54694 66.18124 70.0 0.01429 56.55432 66.12117 70.0 0.01429 56.56185 66.07710 70.0 0.01429 56.56951 66.04922 70.0 0.01429 56.57731 66.03786 72.0 0.01389 56.58524 66.04395 72.0 0.01389 56.59332 66.06561 71.0 0.01408 56.60154 66.10394 71.0 0.01408 56.60989 66.15839 72.0 0.01389 56.61839 66.22895 71.0 0.01408 56.62701 66.31541 71.0 0.01408 56.63580 66.41743 71.0 0.01408 56.64472 66.53487 72.0 0.01389 56.65378 66.66761 73.0 0.01370 56.66299 66.81424 71.0 0.01408 56.67234 66.97459 71.0 0.01408 56.68184 67.14809 70.0 0.01429 56.69147 67.33400 69.0 0.01449 56.70126 67.53101 68.0 0.01471 56.71120 67.73800 66.0 0.01515 56.72128 67.95372 65.0 0.01538 56.73151 68.17664 66.0 0.01515 56.74190 68.40654 67.0 0.01493 56.75243 68.64185 68.0 0.01471 56.76310 68.87743 70.0 0.01429 56.77394 69.11382 74.0 0.01351 56.78493 69.34962 76.0 0.01316 56.79606 69.58356 78.0 0.01282 56.80735 69.81425 74.0 0.01351 56.81881 70.04058 71.0 0.01408 56.83041 70.26157 69.0 0.01449 56.84217 70.47673 68.0 0.01471 56.85408 70.68413 64.0 0.01563 56.86615 70.88382 67.0 0.01493 56.87839 71.07437 68.0 0.01471 56.89077 71.25539 72.0 0.01389 56.90332 71.42636 76.0 0.01316 56.91602 71.58746 73.0 0.01370 56.92890 71.73509 73.0 0.01370 56.94194 71.87015 67.0 0.01493 56.95514 71.99150 65.0 0.01538 56.96849 72.09824 68.0 0.01471 56.98200 72.18922 72.0 0.01389 56.99569 72.26309 71.0 0.01408 57.00955 72.31869 68.0 0.01471 57.02357 72.35751 64.0 0.01563 57.03775 72.37312 62.0 0.01613 57.05212 72.36773 62.0 0.01613 57.06664 72.34030 63.0 0.01587 57.08133 72.29128 67.0 0.01493 57.09620 72.22116 68.0 0.01471 57.11124 72.13124 68.0 0.01471 57.12644 72.02287 69.0 0.01449 57.14182 71.89992 70.0 0.01429 57.15738 71.76081 71.0 0.01408 57.17311 71.60979 71.0 0.01408 57.18901 71.44958 70.0 0.01429 57.20510 71.28194 69.0 0.01449 57.22136 71.10960 69.0 0.01449 57.23779 70.93471 68.0 0.01471 57.25441 70.75974 69.0 0.01449 57.27121 70.58945 70.0 0.01429 57.28819 70.42050 71.0 0.01408 57.30534 70.25690 72.0 0.01389 57.32268 70.10075 73.0 0.01370 57.34021 69.95374 72.0 0.01389 57.35792 69.81766 70.0 0.01429 57.37581 69.69396 71.0 0.01408 57.39389 69.58355 70.0 0.01429 57.41216 69.48772 71.0 0.01408 57.43060 69.40791 71.0 0.01408 57.44925 69.34447 70.0 0.01429 57.46808 69.29903 72.0 0.01389 57.48711 69.27089 73.0 0.01370 57.50631 69.26116 76.0 0.01316 57.52572 69.27062 78.0 0.01282 57.54531 69.29955 79.0 0.01266 57.56509 69.34822 78.0 0.01282 57.58508 69.41698 78.0 0.01282 57.60527 69.50600 76.0 0.01316 57.62564 69.61540 71.0 0.01408 57.64621 69.74459 68.0 0.01471 57.66700 69.89326 66.0 0.01515 57.68797 70.06068 66.0 0.01515 57.70913 70.24562 68.0 0.01471 57.73050 70.44652 69.0 0.01449 57.75209 70.66247 71.0 0.01408 57.77387 70.88885 70.0 0.01429 57.79585 71.12374 71.0 0.01408 57.81804 71.36389 70.0 0.01429 57.84044 71.60540 68.0 0.01471 57.86304 71.84438 67.0 0.01493 57.88583 72.07753 68.0 0.01471 57.90886 72.29906 71.0 0.01408 57.93211 72.50603 71.0 0.01408 57.95552 72.69483 70.0 0.01429 57.97918 72.86267 69.0 0.01449 58.00305 73.00762 68.0 0.01471 58.02713 73.12841 68.0 0.01471 58.05140 73.22480 67.0 0.01493 58.07592 73.29744 68.0 0.01471 58.10065 73.34743 69.0 0.01449 58.12558 73.37732 70.0 0.01429 58.15075 73.38761 72.0 0.01389 58.17613 73.38119 72.0 0.01389 58.20174 73.36047 72.0 0.01389 58.22755 73.32732 72.0 0.01389 58.25361 73.28371 69.0 0.01449 58.27988 73.23103 66.0 0.01515 58.30637 73.17085 66.0 0.01515 58.33310 73.10387 67.0 0.01493 58.36005 73.03192 69.0 0.01449 58.38723 72.95764 69.0 0.01449 58.41463 72.88339 71.0 0.01408 58.44227 72.80746 73.0 0.01370 58.47014 72.73441 72.0 0.01389 58.49825 72.66628 72.0 0.01389 58.52657 72.60474 72.0 0.01389 58.55515 72.55083 70.0 0.01429 58.58396 72.50834 70.0 0.01429 58.61299 72.47952 71.0 0.01408 58.64228 72.46722 69.0 0.01449 58.67180 72.46927 69.0 0.01449 58.70157 72.49345 69.0 0.01449 58.73156 72.54027 70.0 0.01429 58.76180 72.60672 70.0 0.01429 58.79229 72.69561 68.0 0.01471 58.82301 72.80690 68.0 0.01471 58.85399 72.94086 68.0 0.01471 58.88523 73.09812 67.0 0.01493 58.91669 73.27624 68.0 0.01471 58.94840 73.47567 71.0 0.01408 58.98038 73.69532 72.0 0.01389 59.01261 73.93423 73.0 0.01370 59.04506 74.19090 73.0 0.01370 59.07780 74.46368 74.0 0.01351 59.11079 74.75052 75.0 0.01333 59.14404 75.04916 74.0 0.01351 59.17751 75.35793 75.0 0.01333 59.21128 75.67055 75.0 0.01333 59.24530 75.98446 75.0 0.01333 59.27959 76.29534 74.0 0.01351 59.31410 76.59862 74.0 0.01351 59.34890 76.88895 73.0 0.01370 59.38398 77.16117 75.0 0.01333 59.41929 77.41235 72.0 0.01389 59.45490 77.63645 71.0 0.01408 59.49076 77.83051 73.0 0.01370 59.52692 77.99012 73.0 0.01370 59.56330 78.11559 76.0 . . . 82.0 . . . 79.0 . . . 79.0 . . . 72.0 . . . 71.0 . . . 71.0 . . . 72.0 . . . 69.0 . . . 70.0 . . . 69.0 . . . 70.0 . . . 71.0 . . . 70.0 . . . 73.0 . . . 72.0 . . . 69.0 . . . 70.0 . . . 70.0 . . . 70.0 . . . 68.0 . . . 70.0 . . . 70.0 . . . 71.0 . . . 71.0 . . . 71.0 . . . 72.0 . . . 71.0 . . . 72.0 . . . 71.0 . . . 70.0 . . . 69.0 . . . 68.0 . . . 69.0 . . . 70.0 . . . 73.0 . . . 74.0 . . . 74.0 . . . 74.0 . . . 70.0 . . . 69.0 . . . 67.0 . . . 68.0 . . . 69.0 . . . 71.0 . . . 71.0 . . . 71.0 . . . 70.0 . . . 69.0 . . . 67.0 . . . 68.0 . . . 69.0 . . . 70.0 . . . 70.0 . . . 72.0 . . . 72.0 . . . 73.0 . . . 74.0 . . . 75.0 . . . 74.0 . . . 74.0 . . . 72.0 . . . 72.0 . . . 70.0 . . . 72.0 . . . 74.0 . . . 74.0 . . . 77.0 . . . 76.0 . . . 75.0 . . . 77.0 . . . 79.0 . . . 79.0 . . . 80.0 . . . 80.0 . . . 77.0 . . . 71.0 . . . 69.0 . . . 69.0 . . . 63.0 . . . 84.0 . . . 94.0 . . . 93.0 . . . 90.0 . . . 81.0 . . . 65.0 . . . 73.0 . . . 74.0 . . . 75.0 . . . 77.0 . . . 74.0 . . . 75.0 . . . 72.0 . . . 72.0 . . . 76.0 . . . 80.0 . . . 78.0 . . . 77.0 . . . 77.0 . . . 74.0 . . . 74.0 . . . 72.0 . . . 74.0 . . . 73.0 . . . 73.0 . . . 73.0 . . . 75.0 . . . 75.0 . . . 74.0 . . . 73.0 . . . 72.0 . . . 68.0 . . . 68.0 . . . 72.0 . . . 71.0 . . . 69.0 . . . 65.0 . . . 65.0 . . . 70.0 . . . 76.0 . . . 78.0 . . . 80.0 . . . 75.0 . . . 74.0 . . . 74.0 . . . 74.0 . . . 73.0 . . . 76.0 . . . 71.0 . . . 72.0 . . . 72.0 . . . 72.0 . . . 72.0 . . . 76.0 . . . 72.0 . . . 72.0 . . . 72.0 . . . 70.0 . . . 72.0 . . . 74.0 . . . 73.0 . . . 73.0 . . . 71.0 . . . 71.0 . . . 73.0 . . . 74.0 . . . 75.0 . . . 74.0 . . . 75.0 . . . 73.0 . . . 73.0 . . . 72.0 . . . 71.0 . . . 73.0 . . . 72.0 . . . 73.0 . . . 72.0 . . . 72.0 . . . 71.0 . . . 70.0 . . . 68.0 . . . 66.0 . . . 71.0 . . . 75.0 . . . 81.0 . . . 79.0 . . . 74.0 . . . 68.0 . . . 67.0 . . . 65.0 . . . 66.0 . . . 65.0 . . . 66.0 . . . 67.0 . . . 66.0 . . . 66.0 . . . 67.0 . . . 68.0 . . . 70.0 . . . 72.0 . . . 71.0 . . . 73.0 . . . 73.0 . . . 69.0 . . . 69.0 . . . 74.0 . . . 76.0 . . . 77.0 . . . 71.0 . . . 66.0 . . . 66.0 . . . 66.0 . . . 68.0 . . . 72.0 . . . 74.0 . . . 74.0 . . . 71.0 . . . 69.0 . . . 68.0 . . . 69.0 . . . 70.0 . . . 73.0 . . . 77.0 . . . 80.0 . . . 77.0 . . . 74.0 . . . 73.0 . . . 72.0 . . . 70.0 . . . 71.0 . . . 73.0 . . . 76.0 . . . 79.0 . . . 83.0 . . . 84.0 . . . 83.0 . . . 82.0 . . . 80.0 . . . 79.0 . . . 76.0 . . . 76.0 . . . 76.0 . . . 77.0 . . . 78.0 . . . 79.0 . . . 79.0 . . . 80.0 . . . 82.0 . . . 81.0 . . . 80.0 . . . 79.0 . . . 77.0 . . . 76.0 . . . 74.0 . . . 75.0 . . . 74.0 . . . 74.0 . . . 74.0 . . . 74.0 . . . 75.0 . . . 75.0 . . . 75.0 . . . 75.0 . . . 73.0 . . . 70.0 . . . 69.0 . . . 67.0 . . . 67.0 . . . 69.0 . . . 71.0 . . . 72.0 . . . 71.0 . . . 72.0 . . . 72.0 . . . 72.0 . . . 73.0 . . . 76.0 . . . 77.0 . . . 77.0 . . . 79.0 . . . 78.0 . . . 76.0 . . . 75.0 . . . 75.0 . . . 75.0 . . . 76.0 . . . 78.0 . . . 79.0 . . . 79.0 . . . 80.0 . . . 78.0 . . . 76.0 . . . 73.0 . . . 75.0 . . . 75.0 . . . 76.0 . . . 78.0 . . . 78.0 . . . 78.0 . . . 78.0 . . . 75.0 . . . 72.0 . . . 72.0 . . . 72.0 . . . 72.0 . . . 73.0 . . . 72.0 . . . 76.0 . . . 76.0 . . . 76.0 . . . 76.0 . . . 75.0 . . . 75.0 . . . 75.0 . . . 74.0 . . . 73.0 . . . 75.0 . . . 76.0 . . . 76.0 . . . 75.0 . . . 73.0 . . . 72.0 . . . 71.0 . . . 71.0 . . . 70.0 . . . 71.0 . . . 73.0 . . . 74.0 . . . 73.0 . . . 71.0 . . . 69.0 . . . 67.0 . . . 68.0 . . . 65.0 . . . 65.0 . . . 67.0 . . . 70.0 . . . 73.0 . . . 74.0 . . . 75.0 . . . 74.0 . . . 70.0 . . . 68.0 . . . 67.0 . . . 68.0 . . . 69.0 . . . 71.0 . . . 72.0 . . . 72.0 . . . 70.0 . . . 68.0 . . . 67.0 . . . 67.0 . . . 69.0 . . . 71.0 . . . 71.0 . . . 71.0 . . . 69.0 . . . 69.0 . . . 69.0 . . . 68.0 . . . 68.0 . . . 70.0 . . . 72.0 . . . 70.0 . . . 70.0 . . . 69.0 . . . 68.0 . . . 69.0 . . . 69.0 . . . 70.0 . . . 73.0 . . . 73.0 . . . 74.0 . . . 73.0 . . . 73.0 . . . 73.0 . . . 74.0 . . . 74.0 . . . 75.0 . . . 77.0 . . . 78.0 . . . 78.0 . . . 78.0 . . . 76.0 . . . 77.0 . . . 76.0 . . . 75.0 . . . 75.0 . . . 75.0 . . . 76.0 . . . 73.0 . . . 72.0 . . . 72.0 . . . 73.0 . . . 74.0 . . . 74.0 . . . 76.0 . . . 77.0 . . . 77.0 . . . 78.0 . . . 77.0 . . . 77.0 . . . 77.0 . . . 79.0 . . . 78.0 . . . 77.0 . . . 77.0 . . . 76.0 . . . 75.0 . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 2 0 o 364606.4 405624.7 0.00 12.64845 12.23 2 0 0 o 2480541.0 2493741.0 180.00 13.87538 100.00 1 1 1 o 490180.7 477030.8 0.00 11.09877 50.57 2 2 0 o 200550.28 261523.06 0.00 9.34753 7.36 3 1 1 o 31736.516 26376.250 0.00 7.35091 1.43 1 3 1 o 22197.217 21951.604 0.00 6.96406 0.90 4 0 0 o 53444.67 50500.78 0.00 6.93769 0.54 0 0 2 o 500785.6 376515.7 180.00 6.89616 4.98 0 4 0 o 60939.81 84061.03 180.00 6.32422 0.51 4 2 0 o 453.955 1288.121 180.00 6.08276 0.01 2 0 2 o 4577.450 11229.142 0.00 6.17549 0.08 0 2 2 o 3519.298 6658.023 0.00 6.05471 0.05 2 4 0 o 76515.16 90979.46 180.00 5.75467 1.06 3 3 1 o 7650.510 8161.221 0.00 5.67893 0.21 2 2 2 o 722.004 548.747 180.00 5.54938 0.02 5 1 1 o 13795.358 22223.059 180.00 5.04545 0.30 4 0 2 o 1052739.6 883572.0 0.00 4.89094 10.56 1 5 1 o 487813.8 462811.7 180.00 4.68180 8.98 4 4 0 o 396860.7 366753.6 0.00 4.67376 3.64 0 4 2 o 18.614 17.278 180.00 4.66101 0.00 6 0 0 o 308361.31 297986.84 0.00 4.62513 1.38 4 2 2 o 10534.103 10743.641 0.00 4.56177 0.19 1 1 3 o 209314.67 177001.64 180.00 4.46443 3.50 2 4 2 o 46826.22 43071.14 0.00 4.41838 0.77 5 3 1 o 2770.099 1997.102 0.00 4.39443 0.04 6 2 0 o 39974.48 41798.14 180.00 4.34382 0.32 3 5 1 o 752138.3 628489.9 0.00 4.22539 11.27 0 6 0 o 95503.63 78769.27 180.00 4.21615 0.36 2 6 0 o 758751.8 664580.4 180.00 4.03403 5.19 3 1 3 o 52412.82 36519.37 180.00 4.06353 0.72 1 3 3 o 3945.486 3291.026 180.00 3.99444 0.05 4 4 2 o 105884.69 99272.44 180.00 3.86893 1.33 6 0 2 o 1201076.3 982079.1 180.00 3.84121 7.45 7 1 1 o 21453.336 19868.391 180.00 3.76763 0.26 6 4 0 o 76494.98 61839.86 180.00 3.73328 0.45 3 3 3 o 7719.592 6927.334 180.00 3.69959 0.09 6 2 2 o 1134.621 1045.619 180.00 3.67545 0.01 5 5 1 o 564631.8 573651.4 180.00 3.60876 6.20 4 6 0 o 235714.84 241854.47 0.00 3.60299 1.29 0 6 2 o 28643.500 30105.162 180.00 3.59714 0.16 5 1 3 o 169501.98 160065.44 0.00 3.50635 1.76 2 6 2 o 37881.50 33773.805 0.00 3.48203 0.39 7 3 1 o 38732.61 37728.98 180.00 3.47213 0.39 8 0 0 o 1119620.5 1139861.5 180.00 3.46884 2.84 1 7 1 o 127890.31 130457.55 180.00 3.46842 1.30 0 0 4 o 809640.1 789610.8 0.00 3.44808 2.03 1 5 3 o 192175.52 170554.53 0.00 3.37721 1.85 2 0 4 o 2022564.0 1828280.6 180.00 3.34631 9.55 8 2 0 o 52316.17 47515.32 180.00 3.34532 0.25 0 2 4 o 104892.32 142653.11 180.00 3.32668 0.49 6 4 2 o 2670.154 5283.479 180.00 3.28307 0.02 3 7 1 o 7592.159 16626.375 180.00 3.27010 0.07 5 3 3 o 2973.167 6424.653 180.00 3.26444 0.03 2 2 4 o 28637.488 40749.75 180.00 3.23501 0.25 4 6 2 o 102861.08 65913.04 180.00 3.19341 0.88 3 5 3 o 204084.28 130387.30 180.00 3.19333 1.75 0 8 0 o 200276.33 215679.86 180.00 3.16211 0.42 2 8 0 o 10529.587 7961.210 180.00 3.08307 0.04 6 6 0 o 8580.918 9256.038 180.00 3.11584 0.04 8 0 2 o 35747.35 32260.783 0.00 3.09889 0.15 4 0 4 o 79391.56 59559.04 0.00 3.08775 0.32 7 5 1 o 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180.00 1.09192 0.01 7 9 11 o 3220.261 2455.528 0.00 1.10011 0.00 10 20 4 o 95.410 93.308 180.00 1.09172 0.00 1 11 11 o 10392.507 7992.678 0.00 1.09999 0.01 8 22 0 o 8739.444 8504.384 0.00 1.09146 0.00 0 22 4 o 37214.25 36354.55 0.00 1.09080 0.02 16 14 6 o 5741.917 4851.305 0.00 1.09900 0.01 7 15 9 o 18071.494 17678.221 0.00 1.09042 0.02 20 12 4 o 709.981 621.177 0.00 1.09861 0.00 13 15 7 o 40651.26 35739.12 180.00 1.09855 0.04 6 4 12 o 346.653 305.962 180.00 1.09848 0.00 9 21 3 o 3204.125 3132.846 180.00 1.09003 0.00 18 16 2 o 43689.58 42698.41 0.00 1.08993 0.05 21 13 1 o 1685.431 1647.107 0.00 1.08979 0.00 12 14 8 o 1375.694 1286.686 0.00 1.09784 0.00 0 18 8 o 1540.559 1499.830 0.00 1.08931 0.00 21 9 5 o 15660.992 15347.064 0.00 1.09722 0.02 13 19 3 o 19233.713 19031.818 180.00 1.09706 0.02 25 3 1 o 25847.037 25611.408 180.00 1.09705 0.03 3 23 1 o 991.180 962.035 180.00 1.08876 0.00 14 16 6 o 3003.579 2919.923 0.00 1.08863 0.00 21 1 7 o 9826.500 10063.596 0.00 1.09646 0.01 15 9 9 o 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180.00 1.04385 0.00 2 10 12 o 9955.592 8222.617 0.00 1.04345 0.01 20 16 0 o 510.052 429.160 0.00 1.04288 0.00 11 9 11 o 8223.669 7022.721 0.00 1.04270 0.01 4 24 0 o 12369.295 10993.701 0.00 1.04208 0.01 0 24 2 o 1860.212 1669.306 0.00 1.04194 0.00 16 16 6 o 39781.51 36628.58 180.00 1.04160 0.04 5 1 13 o 7302.025 6935.068 0.00 1.04120 0.01 16 18 4 o 7290.610 7042.758 180.00 1.04097 0.01 23 11 3 o 15721.577 15490.857 180.00 1.04070 0.02 12 16 8 o 5729.344 5679.193 0.00 1.04061 0.01 8 22 4 o 11264.933 11193.223 180.00 1.04057 0.01 26 4 2 o 19421.014 19514.912 0.00 1.04041 0.02 24 10 2 o 38534.89 40088.47 0.00 1.03961 0.04 19 17 1 o 10441.404 10886.432 0.00 1.03939 0.01 0 16 10 o 21066.299 21973.773 0.00 1.03934 0.01 9 21 5 o 24854.945 25923.000 180.00 1.03934 0.02 8 18 8 o 10329.338 10769.500 180.00 1.03928 0.01 2 24 2 o 179.049 185.792 0.00 1.03901 0.00 9 19 7 o 8026.671 8273.463 0.00 1.03869 0.01 18 18 0 o 14380.254 14779.730 0.00 1.03861 0.01 17 9 9 o 24023.338 24360.377 180.00 1.03826 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