#------------------------------------------------------------------------------ #$Date: 2025-07-01 13:56:43 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1154 $ #$URL: svn://localhost/testcod/cif/7/20/00/7200040.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_7200040 loop_ _publ_author_name 'Logan, Matthew W.' 'Ayad, Suliman' 'Adamson, Jeremy D.' 'Dilbeck, Tristan' 'Hanson, Kenneth' 'Uribe-Romo, Fernando J.' _publ_section_title ; Systematic variation of the optical bandgap in titanium based isoreticular metal--organic frameworks for photocatalytic reduction of CO2 under blue light ; _journal_issue 23 _journal_name_full 'Journal of Materials Chemistry A' _journal_page_first 11854 _journal_page_last 11863 _journal_paper_doi 10.1039/C7TA00437K _journal_volume 5 _journal_year 2017 _chemical_formula_sum 'C1.785 N0.315 O2.148 Ti0.25' _chemical_formula_weight 72.19 _chemical_name_systematic MIL-125-NHEt _space_group_IT_number 139 _space_group_name_Hall '-I 4 2' _space_group_name_H-M_alt 'I 4/m m m' _symmetry_cell_setting tetragonal _symmetry_space_group_name_H-M 'I 4/m m m' _audit_creation_date 2016-12-15T19:16 _audit_creation_method 'created in GSAS-II' _audit_update_record ; 2017-01-13 deposited with the CCDC. 2017-04-07 downloaded from the CCDC. ; _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 32 _cell_length_a 18.626(20) _cell_length_b 18.626(20) _cell_length_c 18.088(18) _cell_volume 6275(11) _computing_structure_refinement 'GSAS-II (Toby & Von Dreele, J. Appl. Cryst. 46, 544-549, 2013)' _diffrn_ambient_pressure 100 _diffrn_ambient_temperature 300 _diffrn_radiation_polarisn_ratio 3.8(26) _diffrn_radiation_probe x-ray _diffrn_radiation_type K\a~1,2~ _pd_block_id 2016-12-15T19:16|J4|Uribr-RomoFJ|MiniFlex600 _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.02000 _pd_meas_2theta_range_max 39.98000 _pd_meas_2theta_range_min 3.00000 _pd_phase_name MIL-125-NHEt_1 _pd_proc_2theta_range_inc 0.02000 _pd_proc_2theta_range_max 39.92657 _pd_proc_2theta_range_min 2.94657 _pd_proc_info_datetime 2016-12-15T19:16 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; Background function: "chebyschev" function with 6 terms: 2.46(4)e3, -5.7(10)e2, -1.95(16)e3, -2.4(4)e3, 5.70(17)e3, -1.9(4)e3, ; _pd_proc_ls_pref_orient_corr ; Simple spherical harmonic correction Order = 2 Coefficients: 0:0:C(2,0) = -1.23(15); ; _pd_proc_ls_profile_function ; Finger-Cox-Jephcoat function parameters U, V, W, X, Y, SH/L: peak variance(Gauss) = Utan(Th)^2^+Vtan(Th)+W: peak HW(Lorentz) = X/cos(Th)+Ytan(Th); SH/L = S/L+H/L U, V, W in (centideg)^2^, X & Y in centideg -3(8)e2, 9.9(23)e2, -29(13), 12.4702, -5.15780, 0.0655(3), Crystallite size model "isotropic" for MIL-125-NHEt_1 (microns) parameters: Size, G/L mix 0.809755, 1.000, Mustrain model "isotropic" for MIL-125-NHEt_1 (10^6^) parameters: Mustrain, G/L mix -8487.65, 1.000, ; _pd_proc_ls_prof_R_factor 0.06175 _pd_proc_ls_prof_wR_expected 0.01370 _pd_proc_ls_prof_wR_factor 0.08551 _pd_proc_number_of_points 1850 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 6.346 _refine_ls_matrix_type full _refine_ls_number_parameters 58 _refine_ls_R_Fsqd_factor 0.19468 _refine_ls_wR_factor_obs 0.08551 _reflns_d_resolution_high 2.259 _reflns_d_resolution_low 13.171 _reflns_limit_h_max 8 _reflns_limit_h_min 8 _reflns_limit_k_max 2 _reflns_limit_k_min 2 _reflns_limit_l_max 0 _reflns_limit_l_min 0 _reflns_number_total 103 _cod_data_source_file c7ta00437k2.cif _cod_data_source_block J4 _cod_original_cell_volume 6275(20) _cod_database_code 7200040 _refine_ls_r_f_factor 0.13546 _gsas_proc_ls_prof_r_b_factor 0.05884 _gsas_proc_ls_prof_wr_b_factor 0.07457 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -y,x,z 3 -x,-y,z 4 y,-x,z 5 -x,y,z 6 -y,-x,z 7 x,-y,z 8 y,x,z 9 -x,-y,-z 10 y,-x,-z 11 x,y,-z 12 -y,x,-z 13 x,-y,-z 14 y,x,-z 15 -x,y,-z 16 -y,-x,-z 17 1/2+x,1/2+y,1/2+z 18 1/2-y,1/2+x,1/2+z 19 1/2-x,1/2-y,1/2+z 20 1/2+y,1/2-x,1/2+z 21 1/2-x,1/2+y,1/2+z 22 1/2-y,1/2-x,1/2+z 23 1/2+x,1/2-y,1/2+z 24 1/2+y,1/2+x,1/2+z 25 1/2-x,1/2-y,1/2-z 26 1/2+y,1/2-x,1/2-z 27 1/2+x,1/2+y,1/2-z 28 1/2-y,1/2+x,1/2-z 29 1/2+x,1/2-y,1/2-z 30 1/2+y,1/2+x,1/2-z 31 1/2-x,1/2+y,1/2-z 32 1/2-y,1/2-x,1/2-z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity O1 O 0.22590 0.14420 0.42680 1.000 Uiso 0.36(8) 32 C2 C 0.19291 0.28122 0.28426 0.130 Uiso -1.52(19) 32 N3 N 0.13742 0.31587 0.31910 0.250 Uiso -1.25(11) 32 C4 C 0.30217 0.93329 0.69222 0.130 Uiso 0.20(25) 32 C5 C 0.58820 0.82561 0.43721 0.130 Uiso -0.25(12) 32 C6 C 0.37916 0.88802 0.85220 0.130 Uiso 0.7(6) 32 C7 C 0.31342 0.06390 0.86465 0.130 Uiso -1.21(13) 32 C8 C 0.25565 0.01497 0.64698 0.130 Uiso 0.8(5) 32 C9 C 0.33560 0.18912 0.59104 0.130 Uiso 0.7(7) 32 Ti10 Ti 0.20830 0.07400 0.50000 0.500 Uiso 0.07(7) 16 O11 O 0.31110 0.05800 0.50000 0.500 Uiso 0.11(9) 16 C12 C 0.46333 0.06514 0.50000 0.500 Uiso 0.24(19) 16 N13 N 0.42348 0.12294 0.50000 0.130 Uiso 0.4(4) 16 O14 O 0.18190 0.00000 0.42650 0.500 Uiso 0.02(9) 16 O15 O 0.10740 0.10740 0.50000 0.250 Uiso -0.17(11) 8 C16 C 0.35070 0.00000 0.50000 0.250 Uiso -1.03(21) 8 C17 C 0.42650 0.00000 0.50000 0.250 Uiso -1.15(15) 8 C18 C 0.19400 0.19400 0.40230 0.500 Uiso 0.58(21) 16 C19 C 0.22250 0.22250 0.32090 0.500 Uiso -2.41(9) 16 O20 O 0.044(4) 0.04450 0.298(6) 0.50(6) Uiso 0.27(15) 16 O21 O 0.00000 0.00000 0.440(18) 0.28(15) Uiso 0.2(5) 4 O24 O 0.00000 0.151(12) 0.222(5) 0.20(4) Uiso -2.23(11) 16 O25 O 0.00000 0.238(13) 0.00000 0.16(4) Uiso -1.16(18) 8 O27 O 0.00000 0.50000 0.25000 1.3(5) Uiso 2.0(8) 4 loop_ _atom_type_symbol _atom_type_number_in_cell C 57.12 N 10.08 O 68.736 Ti 8 loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_wavelength_id 1.54050 1.0 1 1.54430 0.5000 2 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 Ti10 O1 C18 135.669 1_555 1_555 1_555 yes C2 C2 N3 119.929 32_555 1_555 1_555 yes C2 C2 C19 123.351 32_555 1_555 1_555 yes N3 C2 C19 116.685 1_555 1_555 1_555 yes C2 N3 C4 124.99 1_555 1_555 12_656 yes C2 N3 C6 139.315 1_555 1_555 21_544 yes C4 N3 C6 91.651 12_656 1_555 21_544 yes N3 C4 C8 129.493 10_566 1_555 7_565 yes C7 C5 C9 87.595 24_554 1_555 9_666 yes C7 C5 N13 139.632 24_554 1_555 3_665 yes C9 C5 N13 120.019 9_666 1_555 3_665 yes N3 C6 C7 114.612 21_555 1_555 7_565 yes C5 C7 C6 79.644 24_445 1_555 7_565 yes C4 C8 C8 128.96 7_565 1_555 7_555 yes O1 Ti10 O1 88.97 1_555 1_555 11_556 yes O1 Ti10 O11 86.273 1_555 1_555 1_555 yes O1 Ti10 O11 86.273 11_556 1_555 1_555 yes O1 Ti10 O14 93.119 1_555 1_555 1_555 yes O1 Ti10 O14 175.385 11_556 1_555 1_555 yes O11 Ti10 O14 97.963 1_555 1_555 1_555 yes O1 Ti10 O14 175.385 1_555 1_555 11_556 yes O1 Ti10 O14 93.119 11_556 1_555 11_556 yes O11 Ti10 O14 97.963 1_555 1_555 11_556 yes O14 Ti10 O14 84.506 1_555 1_555 11_556 yes O1 Ti10 O15 86.976 1_555 1_555 1_555 yes O1 Ti10 O15 86.976 11_556 1_555 1_555 yes O11 Ti10 O15 170.531 1_555 1_555 1_555 yes O14 Ti10 O15 89.024 1_555 1_555 1_555 yes O14 Ti10 O15 89.024 11_556 1_555 1_555 yes Ti10 O11 C16 133.17 1_555 1_555 1_555 yes C12 C12 N13 124.584 5_655 1_555 1_555 yes C12 C12 C17 119.484 5_655 1_555 1_555 yes N13 C12 C17 115.932 1_555 1_555 1_555 yes C5 N13 C5 98.263 3_665 1_555 9_666 yes C5 N13 C12 127.413 3_665 1_555 1_555 yes C5 N13 C12 127.413 9_666 1_555 1_555 yes Ti10 O14 Ti10 88.397 1_555 1_555 7_555 yes Ti10 O15 Ti10 126.631 1_555 1_555 8_555 yes O11 C16 O11 111.353 1_555 1_555 7_555 yes O11 C16 C17 124.324 1_555 1_555 1_555 yes O11 C16 C17 124.324 7_555 1_555 1_555 yes C12 C17 C12 121.033 1_555 1_555 7_555 yes C12 C17 C16 119.484 1_555 1_555 1_555 yes C12 C17 C16 119.484 7_555 1_555 1_555 yes O1 C18 O1 129.984 1_555 1_555 8_555 yes C2 C19 C2 113.28 1_555 1_555 8_555 yes 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 O1 Ti10 1.8895 1_555 1_555 yes O1 C18 1.18737 1_555 1_555 yes C2 C2 1.41436 1_555 32_555 yes C2 N3 1.37184 1_555 1_555 yes C2 C19 1.39257 1_555 1_555 yes N3 C2 1.37184 1_555 1_555 yes N3 C4 1.3571 1_555 12_656 yes N3 C6 1.50328 1_555 21_544 yes C4 N3 1.3571 1_555 10_566 yes C4 C8 1.5327 1_555 7_565 yes C5 C6 1.88557 1_555 18_654 yes C5 C7 1.40674 1_555 24_554 yes C5 C9 1.53325 1_555 9_666 yes C5 N13 1.50186 1_555 3_665 yes C6 N3 1.50328 1_555 21_555 yes C6 C5 1.88557 1_555 20_465 yes C6 C7 1.53366 1_555 7_565 yes C6 C9 1.9039 1_555 28_556 yes C7 C5 1.40674 1_555 24_445 yes C7 C6 1.53366 1_555 7_565 yes C8 C4 1.5327 1_555 7_565 yes C8 C8 0.55767 1_555 7_555 yes C9 C5 1.53325 1_555 9_666 yes C9 C6 1.9039 1_555 26_456 yes Ti10 O1 1.8895 1_555 1_555 yes Ti10 O1 1.8895 1_555 11_556 yes Ti10 Ti10 2.7567 1_555 7_555 yes Ti10 O11 1.93784 1_555 1_555 yes Ti10 O14 1.97713 1_555 1_555 yes Ti10 O14 1.97713 1_555 11_556 yes Ti10 O15 1.97969 1_555 1_555 yes O11 Ti10 1.93784 1_555 1_555 yes O11 C16 1.30812 1_555 1_555 yes C12 C12 1.36606 1_555 5_655 yes C12 N13 1.30768 1_555 1_555 yes C12 C17 1.39383 1_555 1_555 yes N13 C5 1.50186 1_555 3_665 yes N13 C5 1.50186 1_555 9_666 yes N13 C12 1.30768 1_555 1_555 yes O14 Ti10 1.97713 1_555 1_555 yes O14 Ti10 1.97713 1_555 7_555 yes O15 Ti10 1.97969 1_555 1_555 yes O15 Ti10 1.97969 1_555 8_555 yes C16 O11 1.30812 1_555 1_555 yes C16 O11 1.30812 1_555 7_555 yes C16 C17 1.41188 1_555 1_555 yes C17 C12 1.39383 1_555 1_555 yes C17 C12 1.39383 1_555 7_555 yes C17 C16 1.41188 1_555 1_555 yes C18 O1 1.18737 1_555 1_555 yes C18 O1 1.18737 1_555 8_555 yes C18 C19 1.65269 1_555 1_555 yes C19 C2 1.39257 1_555 1_555 yes C19 C2 1.39257 1_555 8_555 yes C19 C18 1.65269 1_555 1_555 yes O20 O20 1.66(7) 1_555 2_555 yes O20 O20 1.66(7) 1_555 4_555 yes loop_ _pd_meas_intensity_total _pd_calc_intensity_total _pd_proc_intensity_bkg_calc _pd_proc_ls_weight 10473 0 0 0 10620 0 0 0 10704 0 0 0 10512 0 0 0 10777 0 0 0 11147 0 0 0 10986 0 0 0 10393 0 0 0 10652 0 0 0 10749 0 0 0 10997 0 0 0 11219 0 0 0 10919 0 0 0 10869 0 0 0 11082 0 0 0 11032 0 0 0 11140 0 0 0 11258 0 0 0 11085 0 0 0 10865 0 0 0 11229 0 0 0 11256 0 0 0 10958 0 0 0 10975 0 0 0 11481 0 0 0 11421 0 0 0 11297 0 0 0 11603 0 0 0 11291 0 0 0 11233 0 0 0 11466 0 0 0 11114 0 0 0 11048 0 0 0 11054 0 0 0 11268 0 0 0 11535 0 0 0 11257 0 0 0 11122 0 0 0 11227 0 0 0 11286 0 0 0 11001 0 0 0 11041 0 0 0 10662 0 0 0 10617 0 0 0 10837 0 0 0 11327 0 0 0 11255 0 0 0 10615 0 0 0 10519 0 0 0 10724 0 0 0 10969 11192.9238 11075.3027 0.000091166 10585 11154.5389 11035.1488 0.0000944733 10657 11116.3388 10995.1391 0.000093835 10559 11078.3246 10955.2733 0.0000947059 10598 11040.4971 10915.5511 0.0000943574 10715 11002.8574 10875.9721 0.0000933271 10419 10965.4066 10836.5359 0.0000959785 10179 10928.1458 10797.2421 0.0000982415 10435 10891.076 10758.0904 0.0000958313 10667 10854.1988 10719.0805 0.0000937471 10500 10817.5152 10680.212 0.0000952381 10366 10781.0269 10641.4844 0.0000964692 10102 10744.7351 10602.8975 0.0000989903 10234 10708.6414 10564.451 0.0000977135 10457 10672.7476 10526.1443 0.0000956297 10204 10637.0553 10487.9773 0.0000980008 10140 10601.5663 10449.9494 0.0000986193 10166 10566.2825 10412.0605 0.0000983671 10295 10531.206 10374.31 0.0000971345 9954 10496.3389 10336.6977 0.0001004621 10121 10461.6834 10299.2232 0.0000988045 10075 10427.2419 10261.8861 0.0000992556 10274 10393.017 10224.6862 0.0000973331 10177 10359.0111 10187.623 0.0000982608 10036 10325.2272 10150.6962 0.0000996413 9958 10291.6681 10113.9054 0.0001004218 10096 10258.3369 10077.2503 0.0000990491 9891 10225.237 10040.7305 0.000101102 9713 10192.3717 10004.3457 0.0001029548 10017 10159.7448 9968.0955 0.0000998303 9713 10127.36 9931.9797 0.0001029548 9756 10095.2216 9895.9977 0.000102501 9883 10063.3337 9860.1494 0.0001011839 9793 10031.701 9824.4343 0.0001021138 9775 10000.3282 9788.8521 0.0001023018 9638 9969.2207 9753.4024 0.000103756 9684 9938.3837 9718.0849 0.0001032631 9486 9907.8231 9682.8993 0.0001054185 9689 9877.5449 9647.8452 0.0001032098 9813 9847.5558 9612.9223 0.0001019056 9698 9817.8625 9578.1302 0.000103114 9286 9788.4725 9543.4685 0.000107689 9880 9759.3936 9508.937 0.0001012146 9624 9730.6341 9474.5353 0.0001039069 9375 9702.203 9440.263 0.0001066667 9481 9674.1095 9406.1199 0.0001054741 9518 9646.3639 9372.1055 0.0001050641 9556 9618.9771 9338.2196 0.0001046463 9363 9591.9605 9304.4617 0.0001068034 9456 9565.3264 9270.8316 0.000105753 9389 9539.0885 9237.3289 0.0001065076 9496 9513.2605 9203.9533 0.0001053075 9477 9487.8581 9170.7044 0.0001055186 9377 9462.8975 9137.5819 0.0001066439 9281 9438.3967 9104.5855 0.000107747 9483 9414.3746 9071.7148 0.0001054519 9337 9390.8519 9038.9695 0.0001071008 9417 9367.8511 9006.3492 0.0001061909 9423 9345.3964 8973.8537 0.0001061233 9600 9323.514 8941.4826 0.0001041667 9545 9302.2325 8909.2355 0.0001047669 9530 9281.5833 8877.1122 0.0001049318 9540 9261.6002 8845.1122 0.0001048218 9291 9242.3206 8813.2353 0.000107631 9775 9223.7854 8781.4812 0.0001023018 9425 9206.0395 8749.8494 0.0001061008 9000 9189.1327 8718.3397 0.0001111111 9148 9173.1197 8686.9518 0.0001093135 9616 9158.0614 8655.6852 0.0001039933 9524 9144.0257 8624.5398 0.0001049979 9582 9131.0884 8593.5151 0.0001043623 9447 9119.3344 8562.6108 0.0001058537 9255 9108.8597 8531.8267 0.0001080497 9272 9099.7727 8501.1623 0.0001078516 9412 9092.1973 8470.6173 0.0001062473 9731 9086.2753 8440.1915 0.0001027644 9872 9082.1715 8409.8845 0.0001012966 10079 9080.0799 8379.696 0.0000992162 10096 9080.2335 8349.6256 0.0000990491 9752 9082.9208 8319.6731 0.0001025431 9751 9088.5127 8289.838 0.0001025536 9902 9097.5027 8260.1202 0.0001009897 10235 9110.5682 8230.5192 0.000097704 10634 9128.6537 8201.0348 0.000094038 10435 9153.0719 8171.6666 0.0000958313 10461 9185.6132 8142.4142 0.0000955932 10500 9228.6437 8113.2775 0.0000952381 10902 9285.1679 8084.2561 0.0000917263 10446 9358.8265 8055.3495 0.0000957304 11021 9453.7994 8026.5577 0.0000907359 11199 9574.5498 7997.8801 0.0000892937 11016 9725.3003 7969.3165 0.0000907771 11291 9909.1596 7940.8666 0.0000885661 11619 10127.2721 7912.5301 0.0000860659 11564 10379.1704 7884.3066 0.0000864753 11740 10664.8583 7856.1959 0.0000851789 11965 10985.6275 7828.1976 0.0000835771 12337 11340.6395 7800.3114 0.000081057 12828 11723.9821 7772.5369 0.0000779545 12910 12129.5262 7744.874 0.0000774593 13207 12558.3353 7717.3223 0.0000757174 13914 13015.0243 7689.8813 0.0000718701 14053 13497.0063 7662.551 0.0000711592 14349 13996.3398 7635.3309 0.0000696913 14861 14513.7344 7608.2207 0.0000672902 14876 15059.0433 7581.2201 0.0000672224 15603 15634.2781 7554.3288 0.0000640902 16008 16230.0162 7527.5466 0.0000624688 16723 16844.7425 7500.873 0.0000597979 17259 17491.3713 7474.3078 0.0000579408 17778 18175.7634 7447.8507 0.0000562493 18394 18887.5383 7421.5014 0.0000543656 19296 19623.5293 7395.2596 0.0000518242 19577 20398.9905 7369.1249 0.0000510803 20395 21222.0341 7343.097 0.0000490316 20826 22081.7529 7317.1757 0.0000480169 21711 22976.1795 7291.3607 0.0000460596 22415 23926.389 7265.6516 0.000044613 23534 24933.9358 7240.0482 0.0000424917 24414 25992.7216 7214.5501 0.0000409601 25552 27103.706 7189.157 0.0000391359 26276 28289.0893 7163.8687 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2395.8143 2269.8685 0.0004201681 2328 2365.1936 2268.2844 0.0004295533 2337 2341.1677 2266.6948 0.000427899 2384 2322.5638 2265.0998 0.0004194631 2329 2308.3197 2263.4993 0.0004293688 2364 2297.4693 2261.8933 0.0004230118 2326 2289.2042 2260.282 0.0004299226 2310 2282.863 2258.6652 0.0004329004 2347 2277.9273 2257.043 0.0004260758 2275 2274.0051 2255.4154 0.0004395604 2275 2270.8098 2253.7825 0.0004395604 2280 2268.1442 2252.1441 0.0004385965 2274 2265.8824 2250.5004 0.0004397537 2271 2263.9584 2248.8514 0.0004403347 2280 2262.3557 2247.197 0.0004385965 2327 2261.1038 2245.5373 0.0004297379 2322 2260.2772 2243.8723 0.0004306632 2281 2259.998 2242.2019 0.0004384042 2268 2260.4416 2240.5263 0.0004409171 2210 2261.8438 2238.8454 0.0004524887 2268 2264.5097 2237.1593 0.0004409171 2298 2268.821 2235.4678 0.000435161 2262 2275.2424 2233.7712 0.0004420866 2279 2284.3222 2232.0693 0.0004387889 2160 2296.6881 2230.3622 0.000462963 2243 2313.0332 2228.65 0.0004458315 2313 2334.0913 2226.9325 0.000432339 2291 2360.5991 2225.2099 0.0004364906 2304 2393.2452 2223.4821 0.0004340278 2327 2432.6061 2221.7491 0.0004297379 2380 2479.0723 2220.0111 0.0004201681 2429 2532.7677 2218.2679 0.0004116921 2431 2593.4714 2216.5196 0.0004113534 2406 2660.5484 2214.7662 0.0004156276 2493 2732.8994 2213.0078 0.0004011231 2560 2808.9394 2211.2443 0.000390625 2550 2886.6134 2209.4758 0.0003921569 2678 2963.4537 2207.7022 0.000373413 2708 3036.6846 2205.9236 0.0003692762 2849 3103.3669 2204.1401 0.0003510004 2903 3160.5811 2202.3515 0.0003444712 2999 3205.6306 2200.558 0.0003334445 3036 3236.2169 2198.7595 0.0003293808 3137 3250.7501 2196.9561 0.0003187759 3117 3248.2883 2195.1478 0.0003208213 3169 3228.8124 2193.3346 0.000315557 3006 3193.1184 2191.5165 0.000332668 2952 3142.8302 2189.6935 0.0003387534 2935 3080.2622 2187.8657 0.0003407155 2898 3008.2432 2186.033 0.0003450656 2845 2929.9052 2184.1955 0.0003514938 2655 2848.4685 2182.3532 0.0003766478 2594 2767.0399 2180.5061 0.000385505 2450 2688.4406 2178.6543 0.0004081633 2384 2615.0794 2176.7977 0.0004194631 2306 2548.8737 2174.9364 0.0004336513 2280 2491.2182 2173.0703 0.0004385965 2280 2442.9932 2171.1996 0.0004385965 2260 2404.6053 2169.3241 0.0004424779 2233 2376.0455 2167.444 0.000447828 2224 2356.9577 2165.5593 0.0004496403 2201 2346.7061 2163.6699 0.0004543389 2165 2344.4372 2161.776 0.0004618938 2187 2349.1318 2159.8774 0.0004572474 2234 2359.6481 2157.9742 0.0004476276 2255 2374.7568 2156.0665 0.000443459 2169 2393.1731 2154.1543 0.000461042 2174 2413.5884 2152.2375 0.0004599816 2244 2434.5917 2150.3163 0.0004456328 2344 2455.1612 2148.3905 0.0004266212 2237 2474.0283 2146.4603 0.0004470273 2254 2490.1207 2144.5257 0.0004436557 2253 2502.7191 2142.5866 0.0004438526 2271 2511.1562 2140.6432 0.0004403347 2285 2515.0678 2138.6953 0.0004376368 2294 2514.3413 2136.7431 0.0004359198 2313 2509.0989 2134.7866 0.000432339 2280 2499.6624 2132.8257 0.0004385965 2273 2486.5048 2130.8605 0.0004399472 2301 2470.1965 2128.891 0.0004345937 2205 2451.3532 2126.9173 0.0004535147 2171 2430.592 2124.9393 0.0004606172 2167 2408.4986 2122.9571 0.0004614675 2158 2385.6092 2120.9707 0.000463392 2202 2362.4045 2118.9801 0.0004541326 2136 2339.312 2116.9854 0.0004681648 2157 2316.7122 2114.9865 0.0004636069 2083 2294.9446 2112.9835 0.0004800768 2096 2274.3123 2110.9764 0.0004770992 2032 2255.0821 2108.9652 0.000492126 2032 2237.4809 2106.95 0.000492126 2077 2221.6895 2104.9307 0.0004814636 2082 2207.8331 2102.9074 0.0004803074 2092 2195.9727 2100.8802 0.0004780115 2055 2186.098 2098.8489 0.000486618 2108 2178.1235 2096.8137 0.0004743833 1985 2171.8899 2094.7746 0.0005037783 1912 2167.1704 2092.7316 0.0005230126 2039 2163.6824 2090.6847 0.0004904365 2003 2161.1047 2088.634 0.0004992511 1978 2159.0966 2086.5794 0.0005055612 1989 2157.3211 2084.521 0.0005027652 2004 2155.466 2082.4588 0.000499002 1989 2153.2456 2080.3928 0.0005027652 1919 2150.4966 2078.3231 0.0005211047 1983 2147.0607 2076.2497 0.0005042864 2006 2142.9105 2074.1726 0.0004985045 1970 2138.0678 2072.0918 0.0005076142 2050 2132.6369 2070.0073 0.0004878049 2016 2126.7825 2067.9192 0.0004960317 2004 2120.7154 2065.8275 0.000499002 2102 2114.5493 2063.7323 0.0004757374 1984 2108.7968 2061.6334 0.0005040323 1964 2103.5246 2059.5311 0.000509165 2036 2099.1146 2057.4252 0.0004911591 2049 2095.7424 2055.3158 0.0004880429 2032 2093.6336 2053.203 0.000492126 2030 2092.9988 2051.0867 0.0004926108 2047 2094.0351 2048.9671 0.0004885198 2101 2096.9268 2046.844 0.0004759638 2187 2101.8451 2044.7176 0.0004572474 2256 2108.9434 2042.5878 0.0004432624 2298 2118.3496 2040.4547 0.000435161 2292 2130.152 2038.3183 0.0004363002 2358 2144.3828 2036.1787 0.0004240882 2437 2160.9966 2034.0358 0.0004103406 2511 2179.8505 2031.8897 0.0003982477 2612 2200.6852 2029.7404 0.0003828484 2554 2223.1126 2027.5879 0.0003915427 2715 2246.6144 2025.4323 0.0003683241 2785 2270.5526 2023.2736 0.0003590664 2752 2294.1964 2021.1117 0.0003633721 2788 2316.7643 2018.9469 0.0003586801 2731 2337.4808 2016.779 0.0003661662 2905 2355.6429 2014.608 0.0003442341 2785 2370.692 2012.4341 0.0003590664 2757 2382.2824 2010.2572 0.0003627131 2860 2390.3382 2008.0774 0.0003496503 2878 2395.0905 2005.8947 0.0003474635 2960 2397.0859 2003.7091 0.0003378378 2909 2397.1625 2001.5206 0.0003437607 2830 2396.3937 1999.3293 0.0003533569 2821 2396.0033 1997.1353 0.0003544842 2780 2397.2583 1994.9384 0.0003597122 2681 2401.3511 1992.7388 0.0003729952 2680 2409.2785 1990.5364 0.0003731343 2523 2421.733 1988.3314 0.0003963535 2455 2439.0151 1986.1237 0.000407332 2423 2460.9789 1983.9133 0.0004127115 2359 2487.0141 1981.7004 0.0004239084 2261 2516.0726 1979.4848 0.0004422822 2340 2546.7362 1977.2667 0.0004273504 2335 2577.3219 1975.046 0.0004282655 2341 2606.0161 1972.8229 0.0004271679 2293 2631.0248 1970.5973 0.0004361099 2299 2650.673 1968.3692 0.0004349717 2311 2663.7605 1966.1387 0.0004327131 2347 2669.3185 1963.9058 0.0004260758 2329 2667.007 1961.6705 0.0004293688 2348 2656.9124 1959.4329 0.0004258944 2359 2639.625 1957.193 0.0004239084 2351 2616.1304 1954.9508 0.0004253509 2231 2587.6961 1952.7064 0.0004482295 2318 2555.737 1950.4597 0.0004314064 2263 2521.6789 1948.2108 0.0004418913 2304 2486.835 1945.9598 0.0004340278 2205 2452.3097 1943.7066 0.0004535147 2379 2418.9369 1941.4513 0.0004203447 2325 2387.2583 1939.1939 0.0004301075 2328 2357.5376 1936.9345 0.0004295533 2311 2329.805 1934.673 0.0004327131 2393 2303.9216 1932.4095 0.0004178855 2390 2279.6505 1930.1441 0.00041841 2437 2256.6732 1927.8767 0.0004103406 2412 2234.8588 1925.6075 0.0004145937 2434 2213.9795 1923.3363 0.0004108463 2320 2193.9154 1921.0633 0.0004310345 2328 2174.7037 1918.7885 0.0004295533 2237 2156.3609 1916.5119 0.0004470273 2100 2138.9635 1914.2335 0.0004761905 2072 2122.5939 1911.9534 0.0004826255 1959 2107.3174 1909.6716 0.0005104645 1998 2093.1702 1907.3881 0.0005005005 2031 2080.1591 1905.1029 0.0004923683 1931 2068.2748 1902.8162 0.0005178664 1877 2057.5165 1900.5279 0.0005327651 1969 2047.9247 1898.238 0.000507872 1872 2039.6166 1895.9466 0.000534188 1894 2032.8216 1893.6537 0.0005279831 1847 2027.9099 1891.3593 0.0005414185 1833 2025.4126 1889.0635 0.0005455537 1881 2026.0279 1886.7663 0.0005316321 1863 2030.6142 1884.4678 0.0005367687 1978 2040.1676 1882.1679 0.0005055612 1949 2055.7828 1879.8667 0.0005130836 1895 2078.6011 1877.5642 0.0005277045 1887 2109.7433 1875.2604 0.0005299417 1955 2150.2325 1872.9555 0.000511509 1943 2200.881 1870.6493 0.000514668 2073 2262.3148 1868.342 0.0004823927 2038 2334.677 1866.0336 0.0004906771 2036 2417.8136 1863.7241 0.0004911591 2157 2510.9935 1861.4135 0.0004636069 2209 2612.9294 1859.1019 0.0004526935 2431 2721.8642 1856.7892 0.0004113534 2342 2835.4571 1854.4757 0.0004269855 2572 2950.925 1852.1611 0.0003888025 2543 3065.1146 1849.8457 0.0003932363 2719 3174.6292 1847.5294 0.0003677823 2890 3275.9783 1845.2123 0.0003460208 2954 3365.7469 1842.8943 0.000338524 3041 3440.7669 1840.5756 0.0003288392 3135 3498.2855 1838.2561 0.0003189793 3245 3536.1307 1835.9359 0.0003081664 3336 3552.8158 1833.6151 0.0002997602 3326 3547.6466 1831.2935 0.0003006615 3472 3520.7692 1828.9714 0.0002880184 3649 3473.1659 1826.6487 0.0002740477 3525 3406.6154 1824.3254 0.0002836879 3541 3323.605 1822.0016 0.0002824061 3543 3227.1999 1819.6773 0.0002822467 3472 3120.8838 1817.3525 0.0002880184 3420 3008.3588 1815.0273 0.0002923977 3256 2893.4477 1812.7018 0.0003071253 3105 2779.7799 1810.3758 0.0003220612 2777 2670.7083 1808.0496 0.0003601008 2746 2569.2007 1805.723 0.0003641661 2630 2477.6771 1803.3962 0.0003802281 2528 2397.9999 1801.0692 0.0003955696 2438 2331.4487 1798.7419 0.0004101723 2326 2278.7405 1796.4145 0.0004299226 2315 2240.0786 1794.087 0.0004319654 2289 2215.2179 1791.7593 0.000436872 2199 2203.5393 1789.4316 0.0004547522 2177 2204.121 1787.1039 0.0004593477 2215 2215.7487 1784.7762 0.0004514673 2304 2237.1721 1782.4485 0.0004340278 2262 2266.8261 1780.1209 0.0004420866 2354 2303.0336 1777.7933 0.0004248088 2249 2344.0731 1775.466 0.0004446421 2294 2388.0336 1773.1387 0.0004359198 2251 2432.9402 1770.8117 0.000444247 2295 2476.7606 1768.4849 0.0004357298 2249 2517.4535 1766.1584 0.0004446421 2149 2553.0367 1763.8322 0.0004653327 2245 2581.6679 1761.5063 0.0004454343 2227 2601.7351 1759.1808 0.0004490346 2196 2611.9477 1756.8557 0.0004553734 2168 2611.4172 1754.5311 0.0004612546 2092 2599.7187 1752.2069 0.0004780115 2105 2576.9245 1749.8832 0.0004750594 2138 2543.6037 1747.56 0.0004677268 2056 2500.7885 1745.2375 0.0004863813 2022 2449.9052 1742.9155 0.0004945598 2055 2392.6797 1740.5942 0.000486618 1949 2331.0251 1738.2735 0.0005130836 1952 2266.9207 1735.9536 0.0005122951 1866 2202.2958 1733.6344 0.0005359057 1870 2138.9266 1731.316 0.0005347594 1827 2078.3548 1728.9984 0.0005473454 1801 2021.8324 1726.6816 0.0005552471 1728 1970.2953 1724.3657 0.0005787037 1693 1924.3631 1722.0508 0.0005906675 1741 1884.3627 1719.7368 0.0005743825 1765 1850.3688 1717.4237 0.0005665722 1658 1822.2549 1715.1117 0.0006031363 1765 1799.749 1712.8008 0.0005665722 1663 1782.4864 1710.4909 0.0006013229 1642 1770.0559 1708.1822 0.0006090134 1670 1762.0352 1705.8746 0.0005988024 1637 1758.0144 1703.5682 0.0006108735 1676 1757.6067 1701.2631 0.0005966587 1657 1760.4482 1698.9592 0.0006035003 1727 1766.1884 1696.6566 0.0005790388 1622 1774.4743 1694.3553 0.0006165228 1681 1784.9328 1692.0554 0.000594884 1824 1797.1533 1689.7569 0.0005482456 1724 1810.675 1687.4598 0.0005800464 1764 1824.981 1685.1643 0.0005668934 1748 1839.5012 1682.8702 0.0005720824 1811 1853.6245 1680.5776 0.0005521811 1861 1866.7212 1678.2867 0.0005373455 1914 1878.171 1675.9974 0.000522466 1901 1887.3977 1673.7097 0.0005260389 1903 1893.9045 1671.4236 0.0005254861 2026 1897.307 1669.1394 0.0004935834 2082 1897.3599 1666.8568 0.0004803074 2006 1893.975 1664.5761 0.0004985045 2055 1887.2276 1662.2972 0.000486618 2047 1877.351 1660.0201 0.0004885198 2080 1864.718 1657.7449 0.0004807692 2134 1849.814 1655.4717 0.0004686036 2029 1833.202 1653.2005 0.0004928536 1995 1815.4836 1650.9312 0.0005012531 2026 1797.2466 1648.664 0.0004935834 1924 1779.0879 1646.3988 0.0005197505 1905 1761.4981 1644.1358 0.0005249344 1870 1744.8924 1641.8749 0.0005347594 1851 1729.5969 1639.6162 0.0005402485 1831 1715.8746 1637.3597 0.0005461496 1770 1703.8551 1635.1055 0.0005649718 1820 1693.6117 1632.8536 0.0005494505 1785 1685.1524 1630.6039 0.0005602241 1784 1678.475 1628.3567 0.0005605381 1743 1673.5336 1626.1118 0.0005737235 1757 1670.2913 1623.8694 0.000569152 1775 1668.7246 1621.6294 0.0005633803 1733 1668.832 1619.392 0.000577034 1751 1670.6368 1617.1571 0.0005711022 1819 1674.1833 1614.9247 0.0005497526 1759 1679.5282 1612.695 0.0005685048 1738 1686.7257 1610.4679 0.000575374 1774 1695.8087 1608.2435 0.0005636979 1740 1706.7684 1606.0219 0.0005747126 1834 1719.5314 1603.803 0.0005452563 1908 1733.9407 1601.5868 0.000524109 1855 1749.7389 1599.3736 0.0005390836 1897 1766.5604 1597.1631 0.0005271481 1923 1783.9303 1594.9556 0.0005200208 1956 1801.2752 1592.751 0.0005112474 1922 1817.9444 1590.5494 0.0005202914 1941 1833.2407 1588.3508 0.0005151984 1917 1846.4604 1586.1553 0.0005216484 1961 1856.9384 1583.9628 0.0005099439 2025 1864.0941 1581.7735 0.0004938272 2081 1867.4753 1579.5873 0.0004805382 2072 1866.7944 1577.4043 0.0004826255 2139 1861.9474 1575.2245 0.0004675082 2170 1853.0557 1573.048 0.0004608295 2169 1840.421 1570.8749 0.000461042 2109 1824.5366 1568.705 0.0004741584 2069 1806.0688 1566.5385 0.0004833253 1969 1785.8014 1564.3755 0.000507872 1956 1764.6123 1562.2158 0.0005112474 1860 1743.4321 1560.0597 0.0005376344 1855 1723.2111 1557.9071 0.0005390836 1830 1704.8908 1555.758 0.0005464481 1768 1689.3842 1553.6126 0.0005656109 1758 1677.5608 1551.4707 0.0005688282 1741 1670.2492 1549.3326 0.0005743825 1695 1668.2162 1547.1981 0.0005899705 1601 1672.1692 1545.0674 0.0006246096 1616 1682.7484 1542.9405 0.0006188119 1616 1700.4978 1540.8173 0.0006188119 1677 1725.8412 1538.6981 0.0005963029 1650 1759.0401 1536.5827 0.0006060606 1643 1800.1456 1534.4712 0.0006086427 1683 1848.9443 1532.3637 0.0005941771 1775 1904.9077 1530.2602 0.0005633803 1767 1967.1496 1528.1608 0.000565931 1685 2034.4013 1526.0654 0.0005934718 1822 2105.0097 1523.9741 0.0005488474 1874 2176.9687 1521.8869 0.0005336179 1955 2247.9791 1519.804 0.000511509 2058 2315.5472 1517.7252 0.0004859086 2147 2377.1057 1515.6507 0.0004657662 2264 2430.1612 1513.5805 0.0004416961 2335 2472.4443 1511.5147 0.0004282655 2438 2502.0592 1509.4532 0.0004101723 2479 2517.6113 1507.3961 0.0004033885 2539 2518.3111 1505.3434 0.0003938558 2686 2504.0232 1503.2952 0.0003723008 2738 2475.278 1501.2515 0.0003652301 2633 2433.2357 1499.2124 0.0003797949 2610 2379.5957 1497.1779 0.0003831418 2617 2316.4804 1495.148 0.0003821169 2528 2246.2885 1493.1227 0.0003955696 2388 2171.5397 1491.1021 0.0004187605 2246 2094.7219 1489.0863 0.000445236 2162 2018.1556 1487.0753 0.0004625347 2013 1943.8814 1485.069 0.000496771 1899 1873.5825 1483.0676 0.0005265929 1845 1808.5405 1481.0711 0.0005420054 1717 1749.6253 1479.0795 0.0005824112 1642 1697.3134 1477.0928 0.0006090134 1625 1651.7312 1475.1112 0.0006153846 1629 1612.7131 1473.1345 0.0006138735 1620 1579.8675 1471.163 0.000617284 1632 1552.6451 1469.1965 0.0006127451 1607 1530.4024 1467.2352 0.0006222775 1533 1512.4568 1465.279 0.0006523157 1539 1498.1312 1463.3281 0.0006497726 1522 1486.7881 1461.3824 0.0006570302 1554 1477.8497 1459.442 0.0006435006 1548 1470.8111 1457.5069 0.0006459948 1512 1465.2447 1455.5771 0.0006613757 1505 1460.7971 1453.6528 0.0006644518 1523 1457.1839 1451.7339 0.0006565988 1521 1454.1806 1449.8205 0.0006574622 1563 1451.614 1447.9126 0.0006397953 1523 1449.3522 1446.0102 0.0006565988 1552 1447.2967 1444.1134 0.0006443299 1517 1445.3755 1442.2222 0.0006591958 1442 1443.5328 1440.3367 0.0006934813 1456 1441.7404 1438.4568 0.0006868132 1498 1439.9718 1436.5827 0.0006675567 1530 1438.2142 1434.7144 0.0006535948 1515 1436.4707 1432.8518 0.000660066 1543 1434.7501 1430.9951 0.0006480881 1527 1433.0752 1429.1443 0.0006548788 1466 1431.4833 1427.2993 0.0006821282 1479 1430.0288 1425.4603 0.0006761325 1485 1428.7878 1423.6273 0.0006734007 1516 1427.8619 1421.8004 0.0006596306 1518 1427.3838 1419.9794 0.0006587615 1469 1427.5236 1418.1646 0.0006807352 1473 1428.4952 1416.3559 0.0006788866 1465 1430.5612 1414.5534 0.0006825939 1522 1434.0385 1412.757 0.0006570302 1519 1439.3009 1410.9669 0.0006583278 1491 1446.7795 1409.1831 0.0006706908 1523 1456.9587 1407.4056 0.0006565988 1544 1470.3684 1405.6345 0.0006476684 1555 1487.5653 1403.8697 0.0006430868 1573 1509.1316 1402.1114 0.0006357279 1598 1535.6239 1400.3595 0.0006257822 1585 1567.5614 1398.6141 0.0006309148 1600 1605.3869 1396.8752 0.000625 1636 1649.4427 1395.1429 0.0006112469 1667 1699.9242 1393.4172 0.00059988 1747 1756.8621 1391.6982 0.0005724098 1770 1820.0976 1389.9858 0.0005649718 1886 1889.2706 1388.2802 0.0005302227 2034 1963.8183 1386.5813 0.0004916421 2109 2042.9839 1384.8891 0.0004741584 2181 2125.8379 1383.2038 0.0004585053 2262 2211.3093 1381.5254 0.0004420866 2393 2298.2234 1379.8538 0.0004178855 2570 2385.3471 1378.1892 0.0003891051 2723 2471.4407 1376.5316 0.000367242 2825 2555.2995 1374.8809 0.0003539823 2949 2635.8033 1373.2373 0.000339098 2978 2711.9612 1371.6008 0.0003357958 3020 2782.9406 1369.9714 0.0003311258 3036 2848.1049 1368.3491 0.0003293808 2983 2907.0237 1366.734 0.000335233 2992 2959.4874 1365.1262 0.0003342246 2974 3005.5028 1363.5256 0.0003362475 2923 3045.2781 1361.9322 0.0003421143 2906 3079.194 1360.3462 0.0003441156 2833 3107.767 1358.7676 0.0003529827 2776 3131.5687 1357.1964 0.0003602305 2789 3151.2102 1355.6326 0.0003585515 2799 3167.2212 1354.0763 0.0003572705 2828 3180.0038 1352.5275 0.0003536068 2922 3189.768 1350.9862 0.0003422313 2929 3196.445 1349.4525 0.0003414135 2996 3199.731 1347.9264 0.0003337784 3035 3199.0169 1346.408 0.0003294893 3030 3193.4245 1344.8973 0.000330033 2942 3181.8979 1343.3942 0.0003399048 2854 3163.2894 1341.899 0.0003503854 2921 3136.4227 1340.4115 0.0003423485 2859 3100.2686 1338.9319 0.0003497726 2690 3054.0434 1337.4601 0.0003717472 2613 2997.3241 1335.9962 0.0003827019 2545 2930.1357 1334.5403 0.0003929273 2468 2853.0052 1333.0923 0.0004051864 2501 2766.9762 1331.6523 0.0003998401 2437 2673.5783 1330.2204 0.0004103406 2333 2574.7599 1328.7965 0.0004286327 2302 2472.7917 1327.3808 0.0004344049 2241 2370.1084 1325.9732 0.0004462294 2139 2269.203 1324.5738 0.0004675082 2103 2172.4935 1323.1826 0.0004755112 2073 2082.1185 1321.7997 0.0004823927 2060 1999.894 1320.425 0.0004854369 1968 1927.2206 1319.0587 0.0005081301 1904 1864.9671 1317.7007 0.0005252101 1895 1813.5373 1316.3511 0.0005277045 1882 1772.7978 1315.01 0.0005313496 1817 1742.1904 1313.6773 0.0005503577 1712 1720.738 1312.3531 0.0005841121 1685 1707.1698 1311.0374 0.0005934718 1696 1700.0005 1309.7303 0.0005896226 1629 1697.637 1308.4318 0.0006138735 1624 1698.4835 1307.142 0.0006157635 1657 1701.038 1305.8608 0.0006035003 1647 1703.9816 1304.5883 0.0006071645 1663 1706.2498 1303.3246 0.0006013229 1738 1707.0855 1302.0696 0.000575374 1743 1706.0718 1300.8235 0.0005737235 1666 1703.1395 1299.5861 0.0006002401 1644 1698.5537 1298.3577 0.0006082725 1695 1692.8772 1297.1382 0.0005899705 1714 1686.9146 1295.9276 0.0005834306 1717 1681.6411 1294.726 0.0005824112 1671 1678.1204 1293.5335 0.000598444 1610 1677.4158 1292.3499 0.000621118 1591 1680.5032 1291.1755 0.0006285355 1636 1688.1882 1290.0102 0.0006112469 1611 1701.0355 1288.854 0.0006207325 1582 1719.3131 1287.707 0.0006321113 1611 1742.9574 1286.5692 0.0006207325 1623 1771.5592 1285.4407 0.0006161429 1652 1804.3744 1284.3215 0.0006053269 1655 1840.3561 1283.2116 0.0006042296 1672 1878.2095 1282.1111 0.0005980861 1750 1916.4651 1281.0199 0.0005714286 1797 1953.5629 1279.9382 0.000556483 1852 1987.9489 1278.8659 0.0005399568 1900 2018.1677 1277.8031 0.0005263158 1890 2042.9533 1276.7499 0.0005291005 1943 2061.3074 1275.7062 0.000514668 2020 2072.5578 1274.6721 0.0004950495 2048 2076.3957 1273.6476 0.0004882812 2056 2072.8874 1272.6328 0.0004863813 2070 2062.4587 1271.6276 0.0004830918 2094 2045.8551 1270.6322 0.0004775549 2087 2024.0794 1269.6465 0.0004791567 2030 1998.3134 1268.6707 0.0004926108 1975 1969.8304 1267.7046 0.0005063291 1881 1939.9042 1266.7485 0.0005316321 1785 1909.7261 1265.8022 0.0005602241 1767 1880.3313 1264.8658 0.000565931 1775 1852.5455 1263.9394 0.0005633803 1752 1826.9536 1263.0229 0.0005707763 1706 1803.8895 1262.1165 0.0005861665 1680 1783.4514 1261.2202 0.0005952381 1632 1765.5357 1260.3339 0.0006127451 1597 1749.8857 1259.4578 0.0006261741 1602 1736.1518 1258.5918 0.0006242197 1598 1723.9536 1257.736 0.0006257822 1617 1712.9395 1256.8904 0.0006184292 1641 1702.8381 1256.055 0.0006093845 1635 1693.4966 1255.23 0.0006116208 1637 1684.9031 1254.4152 0.0006108735 1638 1677.1925 1253.6108 0.0006105006 1622 1670.6346 1252.8168 0.0006165228 1643 1665.6079 1252.0331 0.0006086427 1655 1662.5605 1251.26 0.0006042296 1606 1661.9621 1250.4973 0.000622665 1567 1664.2517 1249.7451 0.0006381621 1548 1669.7846 1249.0034 0.0006459948 1555 1678.7829 1248.2723 0.0006430868 1558 1691.294 1247.5518 0.0006418485 1561 1707.1604 1246.8419 0.000640615 1528 1726.0031 1246.1427 0.0006544503 1558 1747.2206 1245.4542 0.0006418485 1576 1770.0063 1244.7765 0.0006345178 1553 1793.381 1244.1095 0.000643915 1602 1816.2422 1243.4532 0.0006242197 1610 1837.4254 1242.8078 0.000621118 1661 1855.7753 1242.1733 0.000602047 1731 1870.2203 1241.5496 0.0005777008 1759 1879.8457 1240.9368 0.0005685048 1747 1883.96 1240.335 0.0005724098 1762 1882.148 1239.7442 0.0005675369 1815 1874.3071 1239.1643 0.0005509642 1833 1860.6632 1238.5955 0.0005455537 1824 1841.7631 1238.0378 0.0005482456 1819 1818.4466 1237.4912 0.0005497526 1836 1791.7976 1236.9557 0.0005446623 1779 1763.079 1236.4313 0.0005621135 1726 1733.6564 1235.9182 0.0005793743 1707 1704.9153 1235.4162 0.0005858231 1700 1678.1784 1234.9256 0.0005882353 1621 1654.6289 1234.4462 0.0006169031 1555 1635.2419 1233.9781 0.0006430868 1547 1620.7322 1233.5213 0.0006464124 1503 1611.5174 1233.076 0.000665336 1484 1607.6997 1232.642 0.0006738544 1515 1609.0656 1232.2194 0.000660066 1528 1615.1043 1231.8083 0.0006544503 1496 1625.0427 1231.4087 0.0006684492 1497 1637.8927 1231.0207 0.0006680027 1507 1652.5112 1230.6441 0.00066357 1539 1667.6672 1230.2792 0.0006497726 1559 1682.111 1229.9258 0.0006414368 1581 1694.6441 1229.5841 0.0006325111 1643 1704.1849 1229.2541 0.0006086427 1691 1709.8242 1228.9358 0.0005913661 1731 1710.8709 1228.6291 0.0005777008 1750 1706.8817 1228.3343 0.0005714286 1790 1697.6755 1228.0512 0.0005586592 1791 1683.3319 1227.7799 0.0005583473 1762 1664.173 1227.5205 0.0005675369 1761 1640.7316 1227.2729 0.0005678592 1773 1613.7095 1227.0373 0.0005640158 1750 1583.9272 1226.8135 0.0005714286 1677 1552.2709 1226.6018 0.0005963029 1613 1519.6402 1226.402 0.0006199628 1543 1486.8999 1226.2142 0.0006480881 1504 1454.8395 1226.0384 0.0006648936 1508 1424.1412 1225.8747 0.00066313 1501 1395.3598 1225.7232 0.0006662225 1426 1368.9122 1225.5837 0.0007012623 1361 1345.0775 1225.4564 0.0007347539 1311 1324.0048 1225.3412 0.0007627765 1294 1305.7283 1225.2383 0.0007727975 1297 1290.1864 1225.1476 0.00077101 1292 1277.2425 1225.0692 0.0007739938 1294 1266.7072 1225.0031 0.0007727975 1268 1258.3573 1224.9492 0.0007886435 1273 1251.9541 1224.9078 0.000785546 1278 1247.2566 1224.8786 0.0007824726 1230 1244.0325 1224.8619 0.0008130081 1231 1242.0642 1224.8576 0.0008123477 1289 1241.1533 1224.8658 0.0007757952 1258 1241.1207 1224.8865 0.0007949126 1217 1241.8067 1224.9196 0.0008216927 1250 1243.068 1224.9653 0.0008 1299 1244.7764 1225.0235 0.0007698229 1282 1246.8155 1225.0944 0.0007800312 1263 1249.0797 1225.1778 0.0007917656 1252 1251.4734 1225.2739 0.000798722 1261 1253.9104 1225.3826 0.0007930214 1264 1256.3158 1225.504 0.0007911392 1230 1258.6267 1225.6382 0.0008130081 1252 1260.7952 1225.7851 0.000798722 1263 1262.7894 1225.9447 0.0007917656 1309 1264.5955 1226.1172 0.0007639419 1293 1266.2187 1226.3025 0.0007733952 1288 1267.6824 1226.5006 0.0007763975 1294 1269.0274 1226.7116 0.0007727975 1292 1270.3084 1226.9355 0.0007739938 1280 1271.591 1227.1723 0.00078125 1268 1272.9457 1227.422 0.0007886435 1270 1274.4436 1227.6847 0.0007874016 1277 1276.1496 1227.9605 0.0007830854 1331 1278.1179 1228.2492 0.0007513148 1276 1280.3868 1228.551 0.0007836991 1266 1282.9753 1228.8659 0.0007898894 1277 1285.881 1229.1938 0.0007830854 1291 1289.0798 1229.5349 0.0007745933 1309 1292.5272 1229.8891 0.0007639419 1349 1296.1619 1230.2565 0.0007412898 1395 1299.9107 1230.6371 0.0007168459 1363 1303.6945 1231.0309 0.0007336757 1405 1307.4363 1231.4379 0.0007117438 1369 1311.0692 1231.8582 0.0007304602 1406 1314.5445 1232.2918 0.0007112376 1479 1317.8403 1232.7387 0.0006761325 1439 1320.9681 1233.199 0.000694927 1409 1323.9792 1233.6726 0.0007097232 1415 1326.9685 1234.1596 0.0007067138 1435 1330.0768 1234.66 0.0006968641 1463 1333.4901 1235.1738 0.000683527 1484 1337.436 1235.7011 0.0006738544 1474 1342.1774 1236.2418 0.0006784261 1408 1348.0035 1236.7961 0.0007102273 1361 1355.2169 1237.3638 0.0007347539 1375 1364.1193 1237.9451 0.0007272727 1306 1374.9939 1238.54 0.0007656968 1303 1388.0874 1239.1485 0.0007674597 1286 1403.5908 1239.7706 0.000777605 1287 1421.6207 1240.4063 0.0007770008 1267 1442.2024 1241.0557 0.000789266 1265 1465.2564 1241.7187 0.0007905138 1351 1490.5887 1242.3955 0.0007401925 1387 1517.8872 1243.0859 0.0007209805 1361 1546.7243 1243.7902 0.0007347539 1338 1576.5672 1244.5082 0.0007473842 1364 1606.7947 1245.2399 0.0007331378 1400 1636.7217 1245.9855 0.0007142857 1451 1665.6286 1246.7449 0.0006891799 1515 1692.7953 1247.5182 0.000660066 1536 1717.5364 1248.3053 0.0006510417 1548 1739.2359 1249.1063 0.0006459948 1482 1757.3783 1249.9213 0.0006747638 1590 1771.5742 1250.7501 0.0006289308 1615 1781.5773 1251.593 0.000619195 1634 1787.293 1252.4498 0.0006119951 1653 1788.7773 1253.3205 0.0006049607 1658 1786.2256 1254.2054 0.0006031363 1652 1779.9549 1255.1042 0.0006053269 1633 1770.379 1256.0171 0.0006123699 1629 1757.981 1256.9441 0.0006138735 1571 1743.2843 1257.8852 0.0006365372 1572 1726.8261 1258.8404 0.0006361323 1506 1709.1335 1259.8097 0.0006640106 1480 1690.7055 1260.7932 0.0006756757 1486 1672.001 1261.7908 0.0006729475 1449 1653.4314 1262.8027 0.0006901311 1414 1635.3595 1263.8288 0.0007072136 1361 1618.1009 1264.8691 0.0007347539 1452 1601.9292 1265.9236 0.0006887052 1425 1587.08 1266.9924 0.0007017544 1433 1573.7568 1268.0755 0.0006978367 1338 1562.1339 1269.173 0.0007473842 1371 1552.3588 1270.2847 0.0007293946 1386 1544.5527 1271.4108 0.0007215007 1420 1538.8096 1272.5512 0.0007042254 1444 1535.1954 1273.706 0.0006925208 1466 1533.7472 1274.8753 0.0006821282 1454 1534.4723 1276.0589 0.0006877579 1452 1537.3497 1277.257 0.0006887052 1455 1542.3311 1278.4695 0.0006872852 1526 1549.3432 1279.6965 0.000655308 1557 1558.2897 1280.9379 0.0006422608 1592 1569.0528 1282.1939 0.0006281407 1633 1581.493 1283.4644 0.0006123699 1677 1595.4479 1284.7494 0.0005963029 1741 1610.7285 1286.049 0.0005743825 1738 1627.1153 1287.3632 0.000575374 1718 1644.3535 1288.6919 0.0005820722 1745 1662.1486 1290.0353 0.0005730659 1728 1680.1652 1291.3933 0.0005787037 1821 1698.0275 1292.7659 0.0005491488 1817 1715.3262 1294.1531 0.0005503577 1739 1731.6275 1295.555 0.0005750431 1704 1746.4887 1296.9716 0.0005868545 1739 1759.4768 1298.4029 0.0005750431 1708 1770.1897 1299.849 0.0005854801 1705 1778.2771 1301.3097 0.0005865103 1694 1783.4617 1302.7852 0.0005903188 1664 1785.5547 1304.2755 0.0006009615 1693 1784.468 1305.7805 0.0005906675 1721 1780.219 1307.3003 0.0005810575 1691 1772.9282 1308.835 0.0005913661 1706 1762.8101 1310.3844 0.0005861665 1667 1750.1588 1311.9487 0.00059988 1696 1735.3279 1313.5279 0.0005896226 1661 1718.7087 1315.1219 0.000602047 1610 1700.7073 1316.7307 0.000621118 1606 1681.7234 1318.3545 0.000622665 1651 1662.1324 1319.9932 0.0006056935 1560 1642.2706 1321.6468 0.0006410256 1567 1622.427 1323.3153 0.0006381621 1645 1602.8392 1324.9988 0.0006079027 1648 1583.6939 1326.6972 0.0006067961 1654 1565.1315 1328.4106 0.0006045949 1661 1547.2535 1330.139 0.000602047 1681 1530.1307 1331.8824 0.000594884 1699 1513.8118 1333.6408 0.0005885815 1722 1498.3322 1335.4143 0.0005807201 1735 1483.7196 1337.2027 0.0005763689 1749 1469.9988 1339.0063 0.0005717553 1721 1457.1942 1340.8248 0.0005810575 1756 1445.33 1342.6585 0.0005694761 1786 1434.4294 1344.5072 0.0005599104 1692 0 0 0.0005910165 loop_ _refln_index_h _refln_index_k _refln_index_l _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _pd_refln_d_spacing _gsas_i100_meas 1 1 0 31.5483 31.2581 0.0 13.171 0.01 1 0 1 82817.5581 82689.4794 180.0 12.976 100.00 2 0 0 29055.2897 28508.8922 180.0 9.313 5.63 0 0 2 85240.9831 84220.0016 -0.0 9.044 18.31 2 1 1 18376.1142 17206.6707 0.0 7.566 12.12 1 1 2 1751.2683 1873.9465 -180.0 7.455 0.87 2 2 0 1664.7229 309.0063 0.0 6.585 0.17 2 0 2 1037.6622 121.5267 180.0 6.488 0.36 3 1 0 24.4652 28.6005 0.0 5.890 0.00 3 0 1 20075.4344 23732.6442 -0.0 5.872 3.97 1 0 3 5659.9028 6206.8226 180.0 5.736 2.09 2 2 2 29182.9241 22728.4598 -180.0 5.324 6.32 3 2 1 3294.5829 3331.1928 180.0 4.967 0.96 3 1 2 12721.9115 12918.8084 -180.0 4.936 4.67 2 1 3 5339.7099 6052.1065 -0.0 4.884 2.59 4 0 0 19603.6559 6233.3435 0.0 4.657 1.18 0 0 4 70475.5064 47250.2400 -0.0 4.522 4.74 3 3 0 111.3988 139.3185 180.0 4.390 0.01 4 1 1 3242.1373 4037.1155 180.0 4.383 0.77 3 0 3 2128.7926 981.1884 -0.0 4.325 0.39 1 1 4 64.2803 9.6135 -0.0 4.277 0.01 4 2 0 2755.1784 3118.6821 0.0 4.165 0.28 4 0 2 20.8342 28.3070 -180.0 4.140 0.00 2 0 4 4245.1499 6030.3037 0.0 4.068 0.87 3 3 2 3173.4319 2039.2519 -0.0 3.950 0.38 3 2 3 8307.4137 5436.8012 0.0 3.923 2.44 4 2 2 6792.2395 3565.7281 -0.0 3.783 1.49 2 2 4 6205.0757 4944.9295 180.0 3.728 1.04 5 1 0 7795.5229 5643.8614 0.0 3.653 0.66 4 3 1 206.9533 148.4124 -0.0 3.649 0.04 5 0 1 10552.8763 7567.7806 180.0 3.649 0.94 4 1 3 337.2174 279.2747 0.0 3.615 0.08 3 1 4 1266.1693 1388.5537 180.0 3.587 0.39 1 0 5 5015.4251 5561.9815 180.0 3.551 0.94 5 2 1 1762.9432 2501.0472 -180.0 3.397 0.29 5 1 2 1943.6098 2765.4061 -0.0 3.387 0.36 2 1 5 259.9752 819.3161 -0.0 3.318 0.08 4 4 0 588.0383 2973.2189 180.0 3.293 0.02 4 0 4 47.6369 441.1849 0.0 3.244 0.01 5 3 0 574.2062 255.4983 180.0 3.194 0.04 4 3 3 3052.4465 1411.0456 -180.0 3.169 0.59 5 0 3 177.7264 82.1571 0.0 3.169 0.02 3 3 4 242.1508 171.0176 -180.0 3.150 0.03 3 0 5 2893.4462 3872.4295 -180.0 3.126 0.40 6 0 0 280.4522 325.4469 0.0 3.104 0.01 4 4 2 2295.1382 2412.1343 180.0 3.094 0.18 4 2 4 170.9927 380.8424 -0.0 3.064 0.04 6 1 1 19.6848 29.0366 0.0 3.019 0.00 0 0 6 13414.8231 17643.7180 -0.0 3.015 0.52 5 3 2 358.9508 444.9697 0.0 3.012 0.06 5 2 3 4850.4668 4855.6055 180.0 3.000 0.86 3 2 5 418.1630 453.9437 -180.0 2.963 0.10 6 2 0 2712.3900 4439.6475 0.0 2.945 0.18 1 1 6 811.7422 1593.5620 -180.0 2.939 0.12 6 0 2 1264.0599 2662.5987 -180.0 2.936 0.09 5 4 1 1454.3414 1038.9475 0.0 2.872 0.19 2 0 6 737.3906 462.6504 0.0 2.868 0.10 5 1 4 129.6838 54.5758 -0.0 2.842 0.02 4 1 5 144.0569 68.3097 180.0 2.824 0.03 6 2 2 3149.2475 1804.7384 -0.0 2.800 0.44 6 3 1 5771.3070 5929.2545 180.0 2.745 0.72 2 2 6 1396.6826 1326.4164 -180.0 2.741 0.18 6 1 3 32.0729 21.1293 -180.0 2.730 0.00 3 1 6 172.0967 12.0524 -180.0 2.684 0.04 4 4 4 17.6825 3.4170 180.0 2.662 0.00 5 5 0 2744.9811 2426.8801 0.0 2.634 0.08 7 1 0 1744.3166 1542.1773 180.0 2.634 0.10 7 0 1 7323.9613 6625.6323 0.0 2.633 0.43 5 4 3 5068.1226 5237.0489 -0.0 2.620 0.73 5 3 4 2640.6623 2979.8347 0.0 2.609 0.43 4 3 5 1102.4281 1266.1198 -180.0 2.595 0.21 5 0 5 7963.5709 9146.0251 0.0 2.595 0.76 6 4 0 32.0842 34.4851 0.0 2.583 0.00 1 0 7 429.8624 459.4959 180.0 2.559 0.06 6 0 4 3306.1258 3536.3756 -180.0 2.559 0.26 7 2 1 13.4150 16.0045 -0.0 2.533 0.00 4 0 6 12.2251 14.4346 -0.0 2.531 0.00 5 5 2 145.5850 170.7421 -180.0 2.529 0.01 7 1 2 2499.2457 2931.1156 180.0 2.529 0.30 6 3 3 2389.9031 2730.3850 180.0 2.522 0.32 5 2 5 1368.7981 1662.5291 180.0 2.500 0.24 3 3 6 214.8456 279.6518 0.0 2.485 0.02 6 4 2 444.2795 580.5459 -0.0 2.484 0.05 2 1 7 967.0959 1179.5989 0.0 2.468 0.23 6 2 4 1465.4318 1786.0666 -0.0 2.468 0.22 7 3 0 61.5138 69.3056 0.0 2.446 0.00 4 2 6 261.4773 282.2455 -0.0 2.442 0.05 7 0 3 6509.6325 6169.7880 0.0 2.434 0.42 3 0 7 407.6249 293.0457 -180.0 2.386 0.05 6 5 1 489.0496 296.5537 180.0 2.364 0.05 7 3 2 55.6828 33.9732 0.0 2.361 0.01 7 2 3 563.3814 381.4705 -180.0 2.355 0.07 6 1 5 195.3723 305.1372 0.0 2.337 0.03 8 0 0 5342.5742 9236.1862 180.0 2.328 0.14 5 1 6 633.0422 1086.9090 -180.0 2.325 0.12 3 2 7 516.4706 869.9999 0.0 2.311 0.11 7 4 1 72.6525 77.4547 -0.0 2.292 0.01 8 1 1 1389.0572 1480.8719 -0.0 2.292 0.14 5 5 4 2991.6295 2991.8040 -180.0 2.276 0.20 7 1 4 1228.8709 1228.9426 -180.0 2.276 0.16 5 4 5 448.6573 371.5421 -180.0 2.267 0.07 0 0 8 247.2587 160.4080 0.0 2.261 0.01 8 2 0 2708.7692 1600.9297 180.0 2.259 0.13