data_global _journal_coden_Cambridge 182 loop_ _publ_author_name 'A. Clearfield' 'Xiang Wang' 'D. C. Chen' 'Tsung-Yen Tsai' _publ_contact_author_address # Address of author for correspondence ; Department of Chemistry Texas A&M University College Station, TX 77843 ; _publ_contact_author_email clearfield@mail.chem.tamu.edu _publ_contact_author_fax (979)8452370 _publ_contact_author_phone (979)8452936 _publ_contact_author_name 'Dr. Abraham Clearfield' _publ_contact_letter ? _publ_requested_coeditor_name ? _publ_requested_journal 'Chem. Commun.' _publ_section_title ; Ab initio structure Study from in-house Powder Diffraction of a Novel ZnS(EN)0.5 Structure with Layered Wurtzite ZnS Fragment ; data_ZNSEN_publ _database_code_CSD 200433 _pd_block_id 2002-10-10T11:14|ZNSXB1SN|Xiang_Ouyang|Bruker_D8_Dis _audit_creation_method 'from EXP file using GSAS2CIF' _audit_creation_date 2002-10-10T11:14 _audit_author_name 'Xiang Ouyang' _audit_update_record ; 2002-10-10T11:14 Initial CIF as created by GSAS2CIF ; _publ_section_title ; Ab inition Structure Study from in-house Powder Diffraction of a Novel ZnS(EN)0.5 Structure with Layerd Wurtzite ZnS Fragment ; _publ_section_title_footnote ? # # # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. #============================================================================== # 4. TEXT _publ_section_synopsis ? _publ_section_abstract ; The solvothermal reaction of element zinc with sulfur in ethylenediamine as solvent yields ZnS(EN)0.5. ; _publ_section_comment ? _publ_section_exptl_prep ; ZnS(EN)0.5 was prepared by solvothermal reaction of element Zn with S in ethylenediamine solvent in autoclave at 180c for two days. ; _publ_section_exptl_refinement ? _publ_section_references ; C.C. Chen, A.B. Herhold, C.S. Johnson and A.P. Alivistatos, Science, 1997, 276, 398. N. Herron, Y.Wang and J.H. Eckert, J. Am. Chem. Soc., 1990, 112, 1322. ... ; _publ_section_figure_captions ? _publ_section_acknowledgements ; Support of this study was provided by Industrial Technology Research Institute of Taiwan and Welch Foundation of Texas A&M University, for which grateful acknowledgement is made ; #============================================================================= # 5. OVERALL REFINEMENT & COMPUTING DETAILS _refine_special_details ? _pd_proc_ls_special_details ? # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ? # The following items are used to identify the programs used. _computing_molecular_graphics ? _computing_publication_material ? _refine_ls_weighting_scheme ? _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment calculated _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _refine_ls_number_constraints ? _refine_ls_restrained_S_all ? _refine_ls_restrained_S_obs ? _refine_ls_shift/su_max 0.46 _refine_ls_shift/su_mean 0.03 _computing_structure_refinement GSAS _refine_ls_number_parameters 42 _refine_ls_goodness_of_fit_all 1.74 _refine_ls_number_restraints 0 _refine_ls_matrix_type full #============================================================================== # 6. PREPARATION, CHEMICAL, STRUCTURAL AND CRYSTAL DATA # The following three fields describe the preparation of the material. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure autoclave _pd_prep_temperature 453 _pd_char_particle_morphology platelet _pd_char_colour white _chemical_name_systematic ? _chemical_name_common 'Ethylenediaminozinc(II) Sulfide' _chemical_formula_moiety 'C H4 N S Zn' _chemical_formula_structural 'C H4 N S Zn' _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall 'P b c a' _cell_measurement_temperature 295 _cell_special_details ; Indexed to orthrhombic (Treor90) ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution EXPO #============================================================================== # 7. Phase information from GSAS _pd_phase_name 'Ethylenediaminozinc(II) Sulfide' _cell_length_a 17.26305(32) _cell_length_b 6.39336(11) _cell_length_c 6.20451(10) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 684.78467 _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P b c a' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 -x+1/2,+y+1/2,+z 3 +x,-y+1/2,+z+1/2 4 -x+1/2,-y,+z+1/2 -1 -x,-y,-z -2 +x+1/2,-y+1/2,-z -3 -x,+y+1/2,-z+1/2 -4 +x+1/2,+y,-z+1/2 # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity ZN Zn1 0.79567(7) 0.10000(19) 0.64981(27) 1.0 Uiso 0.02854(34) 8 S S2 0.81707(12) 0.05997(34) 1.01927(35) 1.0 Uiso 0.0297(10) 8 N N3 0.89288(21) -0.0563(8) 0.4971(8) 1.0 Uiso 0.0290(27) 8 C C4 0.96715(21) 0.0411(10) 0.5702(9) 1.0 Uiso 0.030(4) 8 H H31 0.88822 -0.05271 0.35496 1.0 Uiso 0.05 8 H H32 0.89332 -0.19425 0.53878 1.0 Uiso 0.05 8 H H41 0.97177 0.03631 0.7217 1.0 Uiso 0.05 8 H H42 0.96629 0.18844 0.52413 1.0 Uiso 0.05 8 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum 'C H4 N S Zn' _chemical_formula_weight 127.48 _cell_formula_units_Z 8 # MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Zn1 S2 2.3359(22) . 1_555 N Zn1 S2 2.3491(22) . 3_554 N Zn1 S2 2.3430(22) . 4_654 N Zn1 N3 2.1707(35) . 1_555 N S2 Zn1 2.3359(22) . 1_555 N S2 Zn1 2.3491(22) . 3_555 N S2 Zn1 2.3430(22) . 4_655 N N3 Zn1 2.1707(35) . 1_555 N N3 C4 1.496(5) . 1_555 N N3 H31 0.886(5) . 1_555 N N3 H32 0.919(5) . 1_555 N N3 H41 2.037(5) . 1_555 N N3 H42 2.021(5) . 1_555 N C4 N3 1.496(5) . 1_555 N C4 C4 1.523(6) . -1_756 N C4 H31 2.000(5) . 1_555 N C4 H32 1.982(6) . 1_555 N C4 H41 0.944(5) . 1_555 N C4 H42 0.984(7) . 1_555 N C4 H42 1.954(5) . -1_756 N H31 N3 0.886(5) . 1_555 N H31 C4 2.000(5) . 1_555 N H31 H32 1.458560(20) . 1_555 N H32 N3 0.919(5) . 1_555 N H32 C4 1.982(6) . 1_555 N H32 H31 1.458560(20) . 1_555 N H41 N3 2.037(5) . 1_555 N H41 C4 0.944(5) . 1_555 N H41 H42 1.567670(20) . 1_555 N H42 N3 2.021(5) . 1_555 N H42 C4 0.984(7) . 1_555 N H42 C4 1.954(5) . -1_756 N H42 H41 1.567670(20) . 1_555 N 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 S2 Zn1 S2 114.51(9) 1_555 . 3_554 N S2 Zn1 S2 115.01(8) 1_555 . 4_654 N S2 Zn1 N3 104.81(17) 1_555 . 1_555 N S2 Zn1 S2 114.54(9) 3_554 . 4_654 N S2 Zn1 N3 98.86(17) 3_554 . 1_555 N S2 Zn1 N3 106.87(14) 4_654 . 1_555 N Zn1 S2 Zn1 102.25(9) 1_555 . 3_555 N Zn1 S2 Zn1 104.81(9) 1_555 . 4_655 N Zn1 S2 Zn1 98.87(8) 3_555 . 4_655 N Zn1 N3 C4 109.80(28) 1_555 . 1_555 N Zn1 N3 H31 110.64(33) 1_555 . 1_555 N Zn1 N3 H32 108.99(32) 1_555 . 1_555 N C4 N3 H31 111.6(5) 1_555 . 1_555 N C4 N3 H32 107.9(5) 1_555 . 1_555 N H31 N3 H32 107.8(5) 1_555 . 1_555 N N3 C4 C4 108.7(5) 1_555 . -1_756 N N3 C4 H41 111.1(5) 1_555 . 1_555 N N3 C4 H42 107.3(5) 1_555 . 1_555 N C4 C4 H41 119.7(6) -1_756 . 1_555 N C4 C4 H42 100.1(6) -1_756 . 1_555 N H41 C4 H42 108.7(5) 1_555 . 1_555 N N3 H31 H32 36.86(33) 1_555 . 1_555 N N3 H32 H31 35.33(31) 1_555 . 1_555 N # Powder diffraction data for histogram 1 #============================================================================== # 8. INSTRUMENT CHARACTERIZATION _exptl_special_details ? # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ? _pd_calibration_special_details # description of the method used # to calibrate the instrument ? _diffrn_ambient_temperature 295 _diffrn_source 'Sealed X-ray tube' _diffrn_source_target Cu _diffrn_source_type ? _diffrn_measurement_device_type 'Bruker D8' _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method step # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ? # The following two items identify the program(s) used (if appropriate). _computing_data_collection diffracplus(Bruker) _computing_data_reduction diffracplus # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator graphite # The following three items are used for time-of-flight measurements only. _pd_instr_dist_src/spec ? _pd_instr_dist_spec/detc ? _pd_meas_2theta_fixed ? # 9. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; side-loading packed powder ; _pd_spec_mount_mode reflection # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source ZN 8.0 -1.612 0.678 14.0743 3.26550 7.03180 0.23330 5.16520 10.3163 2.41000 58.7097 1.30410 International_Tables_Vol_C S 8.0 0.319 0.557 6.90530 1.46790 5.20340 22.2151 1.43790 0.25360 1.58630 56.1720 0.86690 International_Tables_Vol_C N 8.0 0.029 0.018 12.2126 0.00570 3.13220 9.89330 2.01250 28.9975 1.16630 0.58260 -11.529 International_Tables_Vol_C C 8.0 0.017 0.009 2.31000 20.8439 1.02000 10.2075 1.58860 0.56870 0.86500 51.6512 0.21560 International_Tables_Vol_C H 32.0 0.000 0.000 0.49300 10.5109 0.32291 26.1257 0.14019 3.14236 0.04081 57.7997 0.00304 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio 0.9 loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_type _diffrn_radiation_wavelength_id 1.540500 1.000 K\a~1~ 1 1.544300 0.500 K\a~2~ 2 _pd_proc_ls_prof_r_factor 0.0824 _pd_proc_ls_prof_wr_factor 0.1097 _pd_proc_ls_prof_wr_expected 0.0633 _refine_ls_R_Fsqd_factor 0.04720 _pd_proc_ls_background_function ; GSAS Background function number 2 with 8 terms. Cosine Fourier series 1: 50.2643 2: 37.3987 3: -12.2601 4: 44.3798 5: -44.0430 6: 56.9079 7: -38.5007 8: 31.2249 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_absorpt_correction_T_min ? _exptl_absorpt_correction_T_max ? _pd_proc_ls_pref_orient_corr ; March-Dollase AXIS 1 Ratio= 3.970 Frac 0.018 h= 1.000 k= 1.000 l= 0.000 AXIS 2 Ratio= 1.000 Frac 0.982 h= 1.000 k= 0.000 l= 0.000 ; _pd_proc_ls_profile_function ; CW Profile function number 4 with 18 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 55.025 #2(GV) = 9.631 #3(GW) = 10.214 #4(GP) = 0.000 #5(LX) = 0.000 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = 0.0000 #9(sfec) = 0.00 #10(S/L) = 0.0000 #11(H/L) = 0.0000 #12(eta) = 0.0000 #13(S400 ) = 0.0E+00 #14(S040 ) = 0.0E+00 #15(S004 ) = 0.0E+00 #16(S220 ) = 0.0E+00 #17(S202 ) = 0.0E+00 #18(S022 ) = 0.0E+00 Peak tails are ignored where the intensity is below 0.0090 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_peak_cutoff 0.00900 _pd_proc_info_datetime 2002-10-10T11:14:54 _pd_calc_method 'Rietveld Refinement' #---- raw/calc data loop ----- _pd_meas_2theta_range_min 7.02 _pd_meas_2theta_range_max 99.98 _pd_meas_2theta_range_inc 0.02 _pd_proc_2theta_range_min 6.97014 _pd_proc_2theta_range_max 99.93014 _pd_proc_2theta_range_inc 0.02 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 154.0 0.00649 116.47482 116.47427 159.0 0.00629 116.42676 116.42622 111.0 0.00901 116.37859 116.37804 145.0 0.00690 116.33031 116.32977 145.0 0.00690 116.28193 116.28139 130.0 0.00769 116.23344 116.23290 185.0 0.00541 116.18486 116.18432 117.0 0.00855 116.13615 116.13560 147.0 0.00680 116.08736 116.08681 163.0 0.00613 116.03845 116.03790 136.0 0.00735 115.98944 115.98890 141.0 0.00709 115.94032 115.93977 144.0 0.00694 115.89110 115.89053 145.0 0.00690 115.84177 115.84122 160.0 0.00625 115.79234 115.79178 156.0 0.00641 115.74281 115.74225 133.0 0.00752 115.69318 115.69262 129.0 0.00775 115.64344 115.64288 138.0 0.00725 115.59361 115.59303 150.0 0.00667 115.54366 115.54310 147.0 0.00680 115.49362 115.49306 154.0 0.00649 115.44346 115.44290 129.0 0.00775 115.39322 115.39265 147.0 0.00680 115.34286 115.34229 132.0 0.00758 115.29241 115.29185 115.0 0.00870 115.24187 115.24129 154.0 0.00649 115.19122 115.19063 136.0 0.00735 115.14046 115.13988 136.0 0.00735 115.08960 115.08902 163.0 0.00613 115.03865 115.03806 163.0 0.00613 114.98759 114.98700 132.0 0.00758 114.93645 114.93586 129.0 0.00775 114.88520 114.88459 121.0 0.00826 114.83384 114.83325 150.0 0.00667 114.78239 114.78178 127.0 0.00787 114.73085 114.73025 141.0 0.00709 114.67921 114.67860 132.0 0.00758 114.62745 114.62685 109.0 0.00917 114.57560 114.57500 147.0 0.00680 114.52367 114.52306 127.0 0.00787 114.47163 114.47103 138.0 0.00725 114.41949 114.41889 118.0 0.00847 114.36729 114.36666 148.0 0.00676 114.31495 114.31433 148.0 0.00676 114.26253 114.26190 144.0 0.00694 114.21001 114.20940 129.0 0.00775 114.15739 114.15677 133.0 0.00752 114.10469 114.10406 136.0 0.00735 114.05188 114.05125 115.0 0.00870 113.99898 113.99835 118.0 0.00847 113.94598 113.94537 127.0 0.00787 113.89289 113.89227 124.0 0.00806 113.83973 113.83910 136.0 0.00735 113.78645 113.78581 130.0 0.00769 113.73309 113.73244 150.0 0.00667 113.67962 113.67899 136.0 0.00735 113.62605 113.62542 139.0 0.00719 113.57243 113.57177 126.0 0.00794 113.51868 113.51804 136.0 0.00735 113.46486 113.46421 135.0 0.00741 113.41093 113.41028 124.0 0.00806 113.35693 113.35626 102.0 0.00980 113.30280 113.30215 153.0 0.00654 113.24862 113.24796 142.0 0.00704 113.19433 113.19367 103.0 0.00971 113.13995 113.13929 135.0 0.00741 113.08548 113.08483 148.0 0.00676 113.03094 113.03027 170.0 0.00588 112.97628 112.97562 118.0 0.00847 112.92155 112.92088 118.0 0.00847 112.86671 112.86604 109.0 0.00917 112.81181 112.81113 139.0 0.00719 112.75681 112.75614 126.0 0.00794 112.70171 112.70103 115.0 0.00870 112.64653 112.64585 114.0 0.00877 112.59126 112.59059 135.0 0.00741 112.53591 112.53522 115.0 0.00870 112.48048 112.47978 109.0 0.00917 112.42493 112.42426 141.0 0.00709 112.36933 112.36864 141.0 0.00709 112.31363 112.31295 142.0 0.00704 112.25785 112.25716 127.0 0.00787 112.20197 112.20128 157.0 0.00637 112.14601 112.14531 118.0 0.00847 112.08997 112.08927 133.0 0.00752 112.03384 112.03315 141.0 0.00709 111.97762 111.97692 130.0 0.00769 111.92133 111.92063 139.0 0.00719 111.86495 111.86425 102.0 0.00980 111.80849 111.80779 136.0 0.00735 111.75193 111.75123 117.0 0.00855 111.69530 111.69460 139.0 0.00719 111.63860 111.63788 136.0 0.00735 111.58180 111.58109 141.0 0.00709 111.52492 111.52420 129.0 0.00775 111.46796 111.46724 114.0 0.00877 111.41092 111.41019 130.0 0.00769 111.35378 111.35307 157.0 0.00637 111.29658 111.29586 115.0 0.00870 111.23930 111.23857 127.0 0.00787 111.18192 111.18119 148.0 0.00676 111.12448 111.12375 114.0 0.00877 111.06696 111.06622 141.0 0.00709 111.00935 111.00861 109.0 0.00917 110.95166 110.95092 117.0 0.00855 110.89389 110.89315 135.0 0.00741 110.83604 110.83530 145.0 0.00690 110.77811 110.77737 117.0 0.00855 110.72011 110.71938 142.0 0.00704 110.66204 110.66129 129.0 0.00775 110.60388 110.60312 151.0 0.00662 110.54564 110.54489 129.0 0.00775 110.48733 110.48657 141.0 0.00709 110.42894 110.42819 175.0 0.00571 110.37048 110.36971 136.0 0.00735 110.31193 110.31116 147.0 0.00680 110.25332 110.25256 123.0 0.00813 110.19460 110.19385 148.0 0.00676 110.13584 110.13508 142.0 0.00704 110.07700 110.07622 106.0 0.00943 110.01807 110.01730 138.0 0.00725 109.95909 109.95831 129.0 0.00775 109.90001 109.89924 145.0 0.00690 109.84086 109.84010 156.0 0.00641 109.78164 109.78087 148.0 0.00676 109.72236 109.72158 135.0 0.00741 109.66299 109.66222 157.0 0.00637 109.60356 109.60278 170.0 0.00588 109.54405 109.54327 160.0 0.00625 109.48447 109.48368 170.0 0.00588 109.42482 109.42403 148.0 0.00676 109.36509 109.36430 147.0 0.00680 109.30530 109.30450 151.0 0.00662 109.24544 109.24463 199.0 0.00503 109.18550 109.18468 161.0 0.00621 109.12550 109.12469 176.0 0.00568 109.06541 109.06460 156.0 0.00641 109.00526 109.00445 164.0 0.00610 108.94504 108.94423 169.0 0.00592 108.88475 108.88393 179.0 0.00559 108.82439 108.82357 217.0 0.00461 108.76398 108.76315 181.0 0.00552 108.70348 108.70266 221.0 0.00452 108.64291 108.64209 254.0 0.00394 108.58228 245.64250 233.0 0.00429 108.52159 260.31088 269.0 0.00372 108.46084 350.95380 301.0 0.003322 108.39999 379.40366 398.0 0.002513 108.33909 413.15015 437.0 0.002288 108.27814 453.57773 529.0 0.001890 108.21711 502.54922 644.0 0.001553 108.15600 562.61572 761.0 0.001314 108.09486 637.34766 895.0 0.001117 108.03362 731.90863 1125.0 0.000889 107.97233 854.32373 1367.0 0.000732 107.91097 1019.23096 1989.0 0.000503 107.84956 1260.07825 2615.0 0.000382 107.78807 1663.68835 3594.0 0.0002782 107.72652 2442.90723 4992.0 0.0002003 107.66491 4026.22412 7663.0 0.0001305 107.60324 7045.51709 11221.0 0.0000891 107.54150 12035.28027 16630.0 0.0000601 107.47971 18792.13086 22719.0 0.0000440 107.41784 25585.17578 27750.0 0.0000360 107.35593 29056.22266 29353.0 0.00003407 107.29395 27019.18359 23485.0 0.0000426 107.23190 20942.59570 14572.0 0.0000686 107.16978 14002.68848 7443.0 0.0001344 107.10762 8435.50391 3894.0 0.0002568 107.04539 4846.92676 2341.0 0.000427 106.98310 2869.91650 1607.0 0.000622 106.92078 1875.87219 1345.0 0.000743 106.85836 1372.55774 1052.0 0.000951 106.79589 1087.84558 880.0 0.001136 106.73337 901.75085 663.0 0.001508 106.67079 767.04651 526.0 0.001901 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60.96160 1242.83508 1878.0 0.000532 60.95365 1863.85864 2698.0 0.000371 60.94580 2717.07129 3534.0 0.0002830 60.93806 3722.03809 4510.0 0.0002217 60.93042 4661.09131 5049.0 0.0001981 60.92289 5210.11035 5373.0 0.0001861 60.91545 5213.66992 5146.0 0.0001943 60.90812 4835.53760 4130.0 0.0002421 60.90089 4261.42236 3210.0 0.0003115 60.89377 3540.64038 2586.0 0.000387 60.88675 2722.99316 2005.0 0.000499 60.87983 1968.95654 1347.0 0.000742 60.87302 1361.16321 800.0 0.001250 60.86632 919.00458 574.0 0.001742 60.85971 632.58087 431.0 0.002320 60.85320 457.29770 330.0 0.003030 60.84679 353.95670 312.0 0.003205 60.84048 292.18585 220.0 0.00455 60.83427 252.84785 203.0 0.00493 60.82817 225.65977 187.0 0.00535 60.82217 205.64618 173.0 0.00578 60.81627 190.48035 163.0 0.00613 60.81049 179.06561 143.0 0.00699 60.80479 170.99208 193.0 0.00518 60.79918 166.50945 172.0 0.00581 60.79369 166.82385 175.0 0.00571 60.78831 174.52582 203.0 0.00493 60.78302 193.73192 235.0 0.00426 60.77782 229.29326 334.0 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0.000780 60.71569 1365.97791 1020.0 0.000980 60.71932 1074.76367 747.0 0.001339 60.72303 801.89807 517.0 0.001934 60.72684 582.08618 401.0 0.002494 60.73072 420.09726 318.0 0.003145 60.73471 309.78122 230.0 0.00435 60.73876 238.23244 205.0 0.00488 60.74291 195.02737 161.0 0.00621 60.74714 168.76227 134.0 0.00746 60.75144 152.69162 131.0 0.00763 60.75586 143.27400 149.0 0.00671 60.76033 139.24081 136.0 0.00735 60.76490 140.60641 139.0 0.00719 60.76955 147.74475 166.0 0.00602 60.77430 160.49994 196.0 0.00510 60.77912 177.30132 233.0 0.00429 60.78402 194.21852 206.0 0.00485 60.78901 204.97421 229.0 0.00437 60.79408 205.13106 184.0 0.00543 60.79924 198.33212 194.0 0.00515 60.80447 186.04077 179.0 0.00559 60.80979 171.32191 157.0 0.00637 60.81519 142.66837 140.0 0.00714 60.82067 126.27734 130.0 0.00769 60.82624 110.88365 134.0 0.00746 60.83190 98.63706 96.0 0.01042 60.83763 84.04913 101.0 0.00990 60.84344 78.58496 93.0 0.01075 60.84933 75.23137 77.0 0.01299 60.85532 73.38505 86.0 0.01163 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965.50372 1062.0 0.000942 61.08829 1076.37231 1035.0 0.000966 61.09685 1101.56360 1076.0 0.000929 61.10547 1057.59937 925.0 0.001081 61.11419 978.79047 841.0 0.001189 61.12295 878.47516 752.0 0.001330 61.13179 756.56769 630.0 0.001587 61.14071 624.93182 521.0 0.001919 61.14971 504.23981 420.0 0.002381 61.15877 407.94888 366.0 0.002732 61.16792 340.21628 324.0 0.003086 61.17713 300.49426 340.0 0.002941 61.18642 287.58908 334.0 0.002994 61.19577 301.27457 440.0 0.002273 61.20519 351.09329 474.0 0.002110 61.21469 446.69138 688.0 0.001453 61.22427 601.35529 856.0 0.001168 61.23392 822.57764 1240.0 0.000806 61.24364 1105.85315 1426.0 0.000701 61.25343 1418.20288 1767.0 0.000566 61.26329 1690.33142 1964.0 0.000509 61.27322 1834.01917 2020.0 0.000495 61.28323 1819.67944 1854.0 0.000539 61.29328 1703.12488 1782.0 0.000561 61.30342 1541.48865 1317.0 0.000759 61.31365 1344.44177 1158.0 0.000864 61.32392 1111.10779 973.0 0.001028 61.33427 869.30878 663.0 0.001508 61.34470 654.15216 517.0 0.001934 61.35519 483.06146 336.0 0.002976 61.36575 357.86465 289.0 0.003460 61.37637 272.23914 203.0 0.00493 61.38707 216.55524 196.0 0.00510 61.39783 181.14189 203.0 0.00493 61.40865 158.26091 158.0 0.00633 61.41955 142.69762 140.0 0.00714 61.43052 131.37646 130.0 0.00769 61.44155 122.63892 113.0 0.00885 61.45266 115.52402 96.0 0.01042 61.46383 109.74950 92.0 0.01087 61.47506 104.93768 122.0 0.00820 61.48637 100.91254 125.0 0.00800 61.49774 92.77850 111.0 0.00901 61.50917 101.16705 92.0 0.01087 61.52068 100.05766 101.0 0.00990 61.53223 99.56095 98.0 0.01020 61.54387 99.62106 101.0 0.00990 61.55556 105.41201 104.0 0.00962 61.56733 95.89571 93.0 0.01075 61.57916 97.75855 111.0 0.00901 61.59105 99.50623 101.0 0.00990 61.60299 101.35442 117.0 0.00855 61.61501 98.15572 98.0 0.01020 61.62711 101.15745 102.0 0.00980 61.63925 104.67620 128.0 0.00781 61.65145 108.94482 134.0 0.00746 61.66373 114.28040 148.0 0.00676 61.67606 121.04329 181.0 0.00552 61.68846 129.72556 157.0 0.00637 61.70091 141.18300 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63.06628 912.23956 905.0 0.001105 63.08348 849.05701 737.0 0.001357 63.10073 771.40570 709.0 0.001410 63.11801 686.77588 590.0 0.001695 63.13535 589.47607 484.0 0.002066 63.15272 486.61096 414.0 0.002415 63.17011 388.68454 313.0 0.003195 63.18756 305.50806 250.0 0.00400 63.20505 240.41159 203.0 0.00493 63.22256 192.54158 196.0 0.00510 63.24013 159.05911 121.0 0.00826 63.25772 136.43842 128.0 0.00781 63.27536 121.32782 127.0 0.00787 63.29303 111.05494 89.0 0.01124 63.31075 103.76733 87.0 0.01149 63.32848 98.31516 84.0 0.01190 63.34627 94.03594 83.0 0.01205 63.36410 90.55785 84.0 0.01190 63.38197 87.66546 83.0 0.01205 63.39986 85.22396 98.0 0.01020 63.41778 83.14111 89.0 0.01124 63.43575 81.34927 86.0 0.01163 63.45375 79.79675 89.0 0.01124 63.47178 78.44295 84.0 0.01190 63.48985 77.25565 81.0 0.01235 63.50797 76.20891 59.0 0.01695 63.52609 75.28162 84.0 0.01190 63.54427 74.45651 66.0 0.01515 63.56248 73.71938 77.0 0.01299 63.58073 72.13824 90.0 0.01111 63.59899 71.59214 74.0 0.01351 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57.15415 183.84616 203.0 0.00493 57.14464 185.29622 195.0 0.00513 57.13509 186.44844 208.0 0.00481 57.12538 187.13795 209.0 0.00478 57.11554 187.38771 210.0 0.00476 57.10561 187.07567 205.0 0.00488 57.09559 186.71687 152.0 0.00658 57.08540 186.17035 206.0 0.00485 57.07511 185.28891 211.0 0.00474 57.06472 184.25192 190.0 0.00526 57.05421 182.75275 208.0 0.00481 57.04358 180.62428 184.0 0.00543 57.03285 177.76448 169.0 0.00592 57.02198 174.18648 162.0 0.00617 57.01098 170.02614 191.0 0.00524 56.99992 165.50270 176.0 0.00568 56.98872 160.78726 169.0 0.00592 56.97736 156.22545 151.0 0.00662 56.96593 151.89212 173.0 0.00578 56.95441 147.91258 135.0 0.00741 56.94270 144.24390 155.0 0.00645 56.93095 141.14656 142.0 0.00704 56.91905 138.56526 133.0 0.00752 56.90700 136.39888 134.0 0.00746 56.89487 134.86896 129.0 0.00775 56.88265 133.82060 140.0 0.00714 56.87025 133.21411 153.0 0.00654 56.85779 133.02391 146.0 0.00685 56.84520 133.24915 166.0 0.00602 56.83244 133.91376 156.0 0.00641 56.81962 135.05717 149.0 0.00671 56.80669 136.71967 141.0 0.00709 56.79360 138.92610 156.0 0.00641 56.78042 141.67087 174.0 0.00575 56.76711 144.89090 152.0 0.00658 56.75370 148.47029 183.0 0.00546 56.74017 152.19539 160.0 0.00625 56.72651 155.76804 159.0 0.00629 56.71275 159.01601 153.0 0.00654 56.69884 161.13727 189.0 0.00529 56.68486 161.96043 191.0 0.00524 56.67075 161.30336 182.0 0.00549 56.65648 159.10713 180.0 0.00556 56.64214 155.61812 151.0 0.00662 56.62769 151.20764 159.0 0.00629 56.61307 146.30341 131.0 0.00763 56.59840 141.30479 134.0 0.00746 56.58358 136.53558 113.0 0.00885 56.56861 132.23021 125.0 0.00800 56.55355 128.53343 142.0 0.00704 56.53842 125.50165 129.0 0.00775 56.52309 123.10313 136.0 0.00735 56.50771 121.21391 128.0 0.00781 56.49220 119.63419 129.0 0.00775 56.47652 118.33411 128.0 0.00781 56.46077 116.61594 123.0 0.00813 56.44493 114.48978 127.0 0.00787 56.42891 111.86339 114.0 0.00877 56.41279 108.71823 128.0 0.00781 56.39657 105.18327 116.0 0.00862 56.38023 101.43236 110.0 0.00909 56.36376 97.65263 103.0 0.00971 56.34718 94.01298 72.0 0.01389 56.33049 90.65105 87.0 0.01149 56.31364 87.67158 80.0 0.01250 56.29674 85.14812 93.0 0.01075 56.27969 83.12394 102.0 0.00980 56.26250 81.42780 83.0 0.01205 56.24522 80.42817 79.0 0.01266 56.22784 79.87625 87.0 0.01149 56.21029 79.90727 85.0 0.01176 56.19270 80.05645 79.0 0.01266 56.17494 80.40238 73.0 0.01370 56.15704 80.82195 79.0 0.01266 56.13905 81.18378 82.0 0.01220 56.12097 81.36510 74.0 0.01351 56.10273 81.31229 78.0 0.01282 56.08441 80.92554 76.0 0.01316 56.06596 80.27262 100.0 0.01000 56.04735 79.43628 82.0 0.01220 56.02867 78.57175 75.0 0.01333 56.00988 77.67765 63.0 0.01587 55.99093 76.90079 59.0 0.01695 55.97189 76.27879 85.0 0.01176 55.95272 75.87064 78.0 0.01282 55.93344 75.69028 79.0 0.01266 55.91404 75.30225 85.0 0.01176 55.89454 75.60836 79.0 0.01266 55.87491 76.12791 78.0 0.01282 55.85513 76.83577 72.0 0.01389 55.83529 77.70669 76.0 0.01316 55.81532 78.72615 88.0 0.01136 55.79519 79.92090 76.0 0.01316 55.77498 81.29603 78.0 0.01282 55.75466 82.93530 83.0 0.01205 55.73418 84.91776 83.0 0.01205 55.71365 87.34371 96.0 0.01042 55.69297 90.21787 85.0 0.01176 55.67213 93.59983 86.0 0.01163 55.65122 97.49665 83.0 0.01205 55.63021 101.81625 83.0 0.01205 55.60903 106.45564 94.0 0.01064 55.58779 110.94858 100.0 0.01000 55.56640 115.82739 117.0 0.00855 55.54488 120.59628 123.0 0.00813 55.52325 124.59274 127.0 0.00787 55.50154 127.66005 133.0 0.00752 55.47966 129.55870 126.0 0.00794 55.45770 130.14001 153.0 0.00654 55.43560 129.49109 133.0 0.00752 55.41340 127.84813 108.0 0.00926 55.39108 125.55021 114.0 0.00877 55.36864 122.96468 103.0 0.00971 55.34609 120.43063 110.0 0.00909 55.32339 118.22665 107.0 0.00935 55.30063 116.57078 99.0 0.01010 55.27773 115.40511 103.0 0.00971 55.25468 115.11643 103.0 0.00971 55.23155 115.51504 108.0 0.00926 55.20831 116.49746 106.0 0.00943 55.18493 117.97545 107.0 0.00935 55.16146 119.54452 105.0 0.00952 55.13786 121.02305 123.0 0.00813 55.11412 122.16058 128.0 0.00781 55.09028 122.72374 143.0 0.00699 55.06635 122.57065 131.0 0.00763 55.04227 121.62257 124.0 0.00806 55.01811 119.87415 121.0 0.00826 54.99381 117.39680 101.0 0.00990 54.96938 114.33516 108.0 0.00926 54.94485 110.86717 114.0 0.00877 54.92022 107.23324 97.0 0.01031 54.89544 103.43972 93.0 0.01075 54.87056 99.95970 83.0 0.01205 54.84557 96.73730 84.0 0.01190 54.82046 93.84950 92.0 0.01087 54.79524 91.54112 101.0 0.00990 54.76990 89.43893 87.0 0.01149 54.74445 87.71712 77.0 0.01299 54.71886 86.32474 84.0 0.01190 54.69320 85.18331 83.0 0.01205 54.66740 84.19666 74.0 0.01351 54.64146 83.26511 83.0 0.01205 54.61543 82.30471 93.0 0.01075 54.58930 81.26508 67.0 0.01493 54.56303 80.13383 85.0 0.01176 54.53667 78.79260 80.0 0.01250 54.51019 77.58128 85.0 0.01176 54.48356 76.39247 81.0 0.01235 54.45684 75.26878 81.0 0.01235 54.43003 74.24174 72.0 0.01389 54.40306 73.36357 60.0 0.01667 54.37603 72.63842 50.0 0.02000 54.34884 72.23865 57.0 0.01754 54.32154 71.93540 52.0 0.01923 54.29413 71.87330 75.0 0.01333 54.26663 72.07694 56.0 0.01786 54.23898 72.54354 65.0 0.01538 54.21124 73.27585 72.0 0.01389 54.18338 74.27737 57.0 0.01754 54.15541 75.49828 87.0 0.01149 54.12731 77.01237 94.0 0.01064 54.09912 78.72142 101.0 0.00990 54.07081 80.60916 74.0 0.01351 54.04235 82.64244 88.0 0.01136 54.01384 84.78688 79.0 0.01266 53.98518 87.00209 105.0 0.00952 53.95639 89.24332 76.0 0.01316 53.92751 91.54855 98.0 0.01020 53.89854 93.61217 94.0 0.01064 53.86942 95.40049 96.0 0.01042 53.84021 96.80444 121.0 0.00826 53.81088 97.65675 102.0 0.00980 53.78141 97.94225 90.0 0.01111 53.75187 97.58452 119.0 0.00840 53.72221 96.64682 83.0 0.01205 53.69241 95.26217 90.0 0.01111 53.66254 93.60143 79.0 0.01266 53.63253 91.84174 81.0 0.01235 53.60240 90.10969 78.0 0.01282 53.57216 88.51991 92.0 0.01087 53.54184 87.14321 76.0 0.01316 53.51138 86.01644 79.0 0.01266 53.48081 85.14461 83.0 0.01205 53.45014 84.50193 79.0 0.01266 53.41935 84.08389 88.0 0.01136 53.38845 83.71413 80.0 0.01250 53.35744 83.34176 76.0 0.01316 53.32632 82.90523 82.0 0.01220 53.29507 82.22784 98.0 0.01020 53.26375 81.29790 92.0 0.01087 53.23229 80.11340 84.0 0.01190 53.20072 78.72190 81.0 0.01235 53.16904 77.21861 73.0 0.01370 53.13728 75.66016 78.0 0.01282 53.10537 74.14383 83.0 0.01205 53.07337 72.73645 77.0 0.01299 53.04126 71.48830 78.0 0.01282 53.00901 70.43467 77.0 0.01299 52.97669 69.59838 73.0 0.01370 52.94425 68.99236 58.0 0.01724 52.91169 68.36194 75.0 0.01333 52.87905 68.23521 66.0 0.01515 52.84627 68.34606 75.0 0.01333 52.81337 68.70930 56.0 0.01786 52.78038 69.30211 71.0 0.01408 52.74730 70.12501 67.0 0.01493 52.71408 71.25859 56.0 0.01786 52.68076 72.55592 73.0 0.01370 52.64733 74.08492 78.0 0.01282 52.61380 75.84359 73.0 0.01370 52.58015 77.79579 92.0 0.01087 52.54641 79.91670 82.0 0.01220 52.51255 82.15738 96.0 0.01042 52.47857 84.45105 92.0 0.01087 52.44452 86.71127 113.0 0.00885 52.41033 88.83266 115.0 0.00870 52.37603 90.56660 102.0 0.00980 52.34163 92.05863 80.0 0.01250 52.30714 93.08136 86.0 0.01163 52.27253 93.58652 101.0 0.00990 52.23782 93.58702 118.0 0.00847 52.20300 93.16103 94.0 0.01064 52.16805 92.40488 93.0 0.01075 52.13302 91.50469 91.0 0.01099 52.09789 90.48965 93.0 0.01075 52.06263 89.51118 84.0 0.01190 52.02729 88.79823 95.0 0.01053 51.99183 88.09262 73.0 0.01370 51.95626 87.54833 74.0 0.01351 51.92057 87.17235 87.0 0.01149 51.88482 86.89455 81.0 0.01235 51.84892 86.68393 109.0 0.00917 51.81294 86.41381 100.0 0.01000 51.77684 86.19852 83.0 0.01205 51.74065 85.87698 73.0 0.01370 51.70435 85.45154 83.0 0.01205 51.66795 84.93327 91.0 0.01099 51.63143 84.35725 91.0 0.01099 51.59480 83.95465 80.0 0.01250 51.55810 83.44600 100.0 0.01000 51.52127 83.05768 94.0 0.01064 51.48434 82.84605 99.0 0.01010 51.44730 82.84175 91.0 0.01099 51.41019 83.13416 93.0 0.01075 51.37294 83.55922 98.0 0.01020 51.33562 84.06742 80.0 0.01250 51.29818 84.78559 87.0 0.01149 51.26062 85.55399 100.0 0.01000 51.22297 86.24477 110.0 0.00909 51.18523 86.78894 108.0 0.00926 51.14737 87.11931 94.0 0.01064 51.10944 87.16183 85.0 0.01176 51.07138 86.91273 107.0 0.00935 51.03321 86.39184 80.0 0.01250 50.99495 85.63741 96.0 0.01042 50.95660 84.82952 94.0 0.01064 50.91813 83.76856 80.0 0.01250 50.87957 82.63345 85.0 0.01176 50.84091 81.48051 86.0 0.01163 50.80215 80.36493 72.0 0.01389 50.76328 79.33720 63.0 0.01587 50.72432 78.28679 89.0 0.01124 50.68526 77.53474 85.0 0.01176 50.64608 76.92179 88.0 0.01136 50.60683 76.44382 76.0 0.01316 50.56747 76.04372 67.0 0.01493 50.52800 75.69312 91.0 0.01099 50.48844 75.35462 83.0 0.01205 50.44878 75.00117 76.0 0.01316 50.40903 74.61905 93.0 0.01075 50.36918 74.20598 88.0 0.01136 50.32922 73.76625 72.0 0.01389 50.28915 73.30003 89.0 0.01124 50.24900 72.83134 73.0 0.01370 50.20876 72.36686 77.0 0.01299 50.16841 71.92948 66.0 0.01515 50.12798 71.55171 95.0 0.01053 50.08743 71.27367 92.0 0.01087 50.04679 71.13907 76.0 0.01316 50.00605 71.19084 72.0 0.01389 49.96523 71.46684 52.0 0.01923 49.92429 71.99704 82.0 0.01220 49.88327 72.80147 67.0 0.01493 49.84214 73.84191 86.0 0.01163 49.80092 75.20835 68.0 0.01471 49.75962 76.83433 70.0 0.01429 49.71822 78.68633 87.0 0.01149 49.67671 80.71746 88.0 0.01136 49.63509 82.86177 98.0 0.01020 49.59342 85.07560 89.0 0.01124 49.55162 87.28944 98.0 0.01020 49.50975 89.44781 97.0 0.01031 49.46776 91.49977 96.0 0.01042 49.42571 93.39728 101.0 0.00990 49.38354 95.09683 99.0 0.01010 49.34129 96.56982 96.0 0.01042 49.29894 97.81887 99.0 0.01010 49.25649 98.88674 121.0 0.00826 49.21395 99.86752 110.0 0.00909 49.17133 100.86543 113.0 0.00885 49.12860 101.98047 124.0 0.00806 49.08581 103.08022 100.0 0.01000 49.04290 104.58485 112.0 0.00893 48.99989 106.24911 119.0 0.00840 48.95680 107.97470 121.0 0.00826 48.91364 109.61561 102.0 0.00980 48.87035 110.99853 134.0 0.00746 48.82699 111.95584 122.0 0.00820 48.78354 112.36288 _pd_meas_number_of_points 4649 _pd_proc_number_of_points 4649 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 2 0 0 1 o 42313.75 42392.48 180.00 8.63152 100.00 2 0 0 2 o 42348.87 42392.48 180.00 8.63152 49.80 2 1 0 1 o 6591.462 6925.626 0.00 5.13753 11.03 2 1 0 2 o 6679.087 6925.626 0.00 5.13753 5.57 4 0 0 1 o 3092.492 3187.961 0.00 4.31576 1.62 1 1 1 1 o 3738.394 3877.495 180.00 4.31142 8.89 4 0 0 2 o 3093.799 3187.961 0.00 4.31576 0.81 1 1 1 2 o 3720.899 3877.495 180.00 4.31142 4.40 2 1 1 1 o 4778.928 4736.453 180.00 3.95706 9.06 2 1 1 2 o 4797.107 4736.453 180.00 3.95706 4.53 4 1 0 1 o 22006.230 20450.938 180.00 3.57705 18.27 4 1 0 2 o 21924.912 20450.938 180.00 3.57705 9.05 3 1 1 1 o 452.467 410.595 180.00 3.52144 1.32 3 1 1 2 o 509.470 410.595 180.00 3.52144 0.71 0 2 0 1 o 37563.66 35251.92 0.00 3.19668 13.11 0 2 0 2 o 37867.80 35251.92 0.00 3.19668 6.57 0 0 2 1 o 8865.940 8476.424 0.00 3.10225 3.86 4 1 1 1 o 9078.167 8822.502 0.00 3.09892 10.43 0 0 2 2 o 8726.273 8476.424 0.00 3.10225 1.89 4 1 1 2 o 8964.002 8822.502 0.00 3.09892 5.11 1 0 2 1 o 39108.00 39580.70 0.00 3.05334 25.12 1 0 2 2 o 38683.20 39580.70 0.00 3.05334 12.35 2 2 0 1 o 4382.395 3875.861 180.00 2.99770 2.58 2 2 0 2 o 4823.887 3875.861 180.00 2.99770 1.42 2 0 2 1 o 507.217 312.340 0.00 2.91942 0.23 2 0 2 2 o 442.245 312.340 0.00 2.91942 0.10 6 0 0 1 o 8718.551 7293.792 0.00 2.87717 2.54 6 0 0 2 o 8719.869 7293.792 0.00 2.87717 1.26 0 2 1 1 o 21735.182 21750.619 0.00 2.84169 10.72 0 2 1 2 o 21263.559 21750.619 0.00 2.84169 5.20 1 2 1 1 o 1093.902 1025.231 180.00 2.80395 0.71 1 2 1 2 o 1163.144 1025.231 180.00 2.80395 0.39 1 1 2 1 o 1672.746 1546.578 180.00 2.75526 1.63 1 1 2 2 o 1652.490 1546.578 180.00 2.75526 0.80 5 1 1 1 o 13.211 11.820 0.00 2.72843 0.13 5 1 1 2 o 15.738 11.820 0.00 2.72843 0.07 3 0 2 1 o 12106.073 12002.114 180.00 2.73070 5.68 3 0 2 2 o 12144.145 12002.114 180.00 2.73070 2.84 2 2 1 1 o 12040.109 11261.861 180.00 2.69917 10.62 2 2 1 2 o 11959.681 11261.861 180.00 2.69917 5.24 2 1 2 1 o 56.569 53.078 180.00 2.65565 0.03 2 1 2 2 o 59.345 53.078 180.00 2.65565 0.02 6 1 0 1 o 24130.764 21807.244 0.00 2.62373 11.28 6 1 0 2 o 24371.324 21807.244 0.00 2.62373 5.67 4 2 0 1 o 107.062 78.157 0.00 2.56877 0.04 4 2 0 2 o 93.835 78.157 0.00 2.56877 0.02 3 2 1 1 o 3878.617 4003.561 0.00 2.54794 3.00 3 2 1 2 o 3850.864 4003.561 0.00 2.54794 1.48 4 0 2 1 o 2848.469 2795.721 180.00 2.51899 1.24 4 0 2 2 o 2851.192 2795.721 180.00 2.51899 0.62 3 1 2 1 o 6046.077 5934.823 0.00 2.51123 4.75 3 1 2 2 o 6096.061 5934.823 0.00 2.51123 2.39 6 1 1 1 o 15503.939 15228.679 180.00 2.41655 11.79 6 1 1 2 o 15597.235 15228.679 180.00 2.41655 5.91 4 2 1 1 o 3501.130 3451.948 0.00 2.37340 2.44 4 2 1 2 o 3588.817 3451.948 0.00 2.37340 1.25 4 1 2 1 o -4.386 0.163 180.00 2.34364 0.00 4 1 2 2 o -1.754 0.163 180.00 2.34364 0.00 5 0 2 1 o 1313.025 985.651 0.00 2.30758 0.46 5 0 2 2 o 1195.953 985.651 0.00 2.30758 0.21 0 2 2 1 o 4408.946 4148.312 0.00 2.22626 1.67 0 2 2 2 o 4610.683 4148.312 0.00 2.22626 0.87 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2566.482 2048.006 180.00 2.04456 0.33 6 2 1 1 o 215.379 226.222 0.00 2.02181 0.10 6 2 1 2 o 118.880 226.222 0.00 2.02181 0.02 6 1 2 1 o -6.002 0.005 180.00 2.00332 0.00 1 3 1 1 o -0.298 0.014 0.00 2.00194 0.00 6 1 2 2 o 10.552 0.005 180.00 2.00332 0.00 1 3 1 2 o 1.455 0.014 0.00 2.00194 0.00 4 2 2 1 o 519.064 516.135 180.00 1.97853 0.29 4 2 2 2 o 464.617 516.135 180.00 1.97853 0.13 2 3 1 1 o 435.358 502.281 0.00 1.96274 0.20 2 3 1 2 o 438.316 502.281 0.00 1.96274 0.10 1 1 3 1 o 1159.892 1262.765 0.00 1.95511 0.57 1 1 3 2 o 1227.091 1262.765 0.00 1.95511 0.30 8 1 1 1 o 4318.166 4174.497 0.00 1.94185 2.09 7 0 2 1 o 8814.124 9194.962 0.00 1.93048 2.17 8 1 1 2 o 4220.926 4174.497 0.00 1.94185 1.01 7 0 2 2 o 9087.213 9194.962 0.00 1.93048 1.12 2 1 3 1 o 96.284 91.422 180.00 1.91855 0.03 2 1 3 2 o 92.079 91.422 180.00 1.91855 0.02 4 3 0 1 o 35177.31 36127.32 180.00 1.91085 8.43 4 3 0 2 o 34818.559 36127.32 180.00 1.91085 4.15 3 3 1 1 o 2484.802 2610.700 180.00 1.90223 1.25 3 3 1 2 o 2444.663 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677.513 657.959 180.00 1.24108 0.06 2 5 1 1 o 1694.212 1600.302 0.00 1.23938 0.34 8 1 4 1 o 1754.425 1695.896 0.00 1.23575 0.40 11 3 1 2 o 402.536 387.835 0.00 1.23827 0.05 3 4 3 1 o 1408.280 1365.920 180.00 1.23520 0.29 2 5 1 2 o 1636.336 1600.302 0.00 1.23938 0.16 8 1 4 2 o 1774.543 1695.896 0.00 1.23575 0.20 3 4 3 2 o 1441.219 1365.920 180.00 1.23520 0.15 10 3 2 1 o 1863.965 1713.905 180.00 1.23124 0.47 7 4 2 1 o 720.880 674.731 180.00 1.23113 0.14 11 1 3 1 o 1210.631 1158.560 0.00 1.22694 0.33 14 0 0 1 o 23.166 18.049 180.00 1.23307 0.01 10 3 2 2 o 1818.598 1713.905 180.00 1.23124 0.23 7 4 2 2 o 704.884 674.731 180.00 1.23113 0.07 10 2 3 1 o 395.606 397.642 0.00 1.22425 0.07 11 1 3 2 o 1150.922 1158.560 0.00 1.22694 0.16 14 0 0 2 o 31.242 18.049 180.00 1.23307 0.00 3 3 4 1 o 779.289 777.237 180.00 1.22535 0.13 10 2 3 2 o 419.479 397.642 0.00 1.22425 0.04 4 5 0 1 o 1469.093 1441.535 180.00 1.22599 0.19 8 3 3 1 o 154.541 153.499 180.00 1.22285 0.03 3 3 4 2 o 789.390 777.237 180.00 1.22535 0.07 13 0 2 1 o 4380.312 4069.818 180.00 1.22079 0.42 3 5 1 1 o 1089.283 1107.347 180.00 1.22371 0.20 4 5 0 2 o 1426.068 1441.535 180.00 1.22599 0.09 8 3 3 2 o 173.803 153.499 180.00 1.22285 0.02 13 0 2 2 o 4779.140 4069.818 180.00 1.22079 0.23 3 5 1 2 o 1192.788 1107.347 180.00 1.22371 0.11 7 2 4 1 o 276.375 243.146 0.00 1.21455 0.08 4 4 3 1 o 173.989 158.862 0.00 1.21365 0.04 1 1 5 1 o 90.638 79.952 0.00 1.21515 0.02 7 2 4 2 o 262.241 243.146 0.00 1.21455 0.04 14 1 0 1 o 2275.621 2175.799 180.00 1.21076 0.23 4 4 3 2 o 166.777 158.862 0.00 1.21365 0.02 9 0 4 1 o 1627.434 1584.955 0.00 1.20611 0.15 1 1 5 2 o 86.633 79.952 0.00 1.21515 0.01 12 2 2 1 o 165.465 159.196 0.00 1.20827 0.04 14 1 0 2 o 2259.540 2175.799 180.00 1.21076 0.12 9 0 4 2 o 1578.186 1584.955 0.00 1.20611 0.07 12 2 2 2 o 162.236 159.196 0.00 1.20827 0.02 9 4 1 1 o 227.934 225.994 180.00 1.20454 0.09 4 3 4 1 o 705.824 704.493 0.00 1.20429 0.08 2 1 5 1 o 2970.186 2873.936 0.00 1.20622 0.64 2 1 5 2 o 2848.385 2873.936 0.00 1.20622 0.31 13 2 1 1 o 4219.975 4266.552 0.00 1.20305 0.95 9 4 1 2 o 215.813 225.994 180.00 1.20454 0.04 4 3 4 2 o 696.290 704.493 0.00 1.20429 0.04 13 2 1 2 o 4243.536 4266.552 0.00 1.20305 0.48 4 5 1 1 o 4466.173 4534.125 180.00 1.20274 0.85 13 1 2 1 o 1123.505 1093.196 0.00 1.19912 0.23 4 5 1 2 o 4535.232 4534.125 180.00 1.20274 0.43 13 1 2 2 o 1236.589 1093.196 0.00 1.19912 0.13 12 3 0 1 o 3296.277 2935.605 0.00 1.19235 0.37 3 1 5 1 o 497.921 441.109 180.00 1.19176 0.13 12 3 0 2 o 3176.798 2935.605 0.00 1.19235 0.18 3 1 5 2 o 484.125 441.109 180.00 1.19176 0.06 14 1 1 1 o 1881.574 1759.232 0.00 1.18835 0.36 9 1 4 1 o 511.142 466.869 0.00 1.18520 0.11 5 4 3 1 o 278.132 253.027 180.00 1.18752 0.08 8 4 2 1 o 285.626 266.632 180.00 1.18670 0.06 14 1 1 2 o 1913.390 1759.232 0.00 1.18835 0.18 9 1 4 2 o 491.830 466.869 0.00 1.18520 0.05 5 4 3 2 o 289.365 253.027 180.00 1.18752 0.04 8 4 2 2 o 293.260 266.632 180.00 1.18670 0.03 1 5 2 1 o 144.323 139.075 180.00 1.17943 0.03 5 3 4 1 o 1053.996 1022.528 0.00 1.17876 0.17 5 5 1 1 o 1500.758 1440.293 0.00 1.17730 0.25 9 3 3 1 o 789.533 784.573 180.00 1.17381 0.17 1 5 2 2 o 146.009 139.075 180.00 1.17943 0.02 5 3 4 2 o 1045.372 1022.528 0.00 1.17876 0.08 8 2 4 1 o 25.092 24.934 180.00 1.17182 0.01 5 5 1 2 o 1444.088 1440.293 0.00 1.17730 0.12 9 3 3 2 o 785.523 784.573 180.00 1.17381 0.08 10 4 0 1 o 4662.126 4637.955 180.00 1.17283 0.43 4 1 5 1 o 8441.844 8407.129 180.00 1.17236 1.79 8 2 4 2 o 25.769 24.934 180.00 1.17182 0.01 2 5 2 1 o 338.307 339.603 0.00 1.17125 0.09 12 3 1 1 o 45.492 45.554 0.00 1.17092 0.01 11 3 2 1 o 45.519 45.219 180.00 1.17032 0.01 10 4 0 2 o 4680.377 4637.955 180.00 1.17283 0.22 4 1 5 2 o 8522.491 8407.129 180.00 1.17236 0.90 6 5 0 1 o 1633.104 1614.420 0.00 1.16848 0.19 2 5 2 2 o 343.187 339.603 0.00 1.17125 0.04 12 3 1 2 o 45.748 45.554 0.00 1.17092 0.00 11 3 2 2 o 45.398 45.219 180.00 1.17032 0.01 11 2 3 1 o 7814.015 7471.915 0.00 1.16431 1.54 6 5 0 2 o 1675.293 1614.420 0.00 1.16848 0.10 11 2 3 2 o 7800.060 7471.915 0.00 1.16431 0.77 12 1 3 1 o 1.711 1.408 0.00 1.16133 0.00 12 1 3 2 o 1.560 1.408 0.00 1.16133 0.00 6 4 3 1 o 56.311 54.712 180.00 1.15777 0.02 3 5 2 1 o 10.327 10.085 0.00 1.15800 0.00 6 4 3 2 o 58.028 54.712 180.00 1.15777 0.01 0 2 5 1 o 8958.238 8668.978 180.00 1.15680 0.86 10 0 4 1 o 1652.185 1594.595 180.00 1.15379 0.13 3 5 2 2 o 10.693 10.085 0.00 1.15800 0.00 1 2 5 1 o 699.865 657.757 0.00 1.15421 0.17 0 2 5 2 o 9118.102 8668.978 180.00 1.15680 0.44 10 0 4 2 o 1608.082 1594.595 180.00 1.15379 0.06 6 3 4 1 o 1694.922 1696.602 180.00 1.14964 0.26 10 4 1 1 o 1329.662 1294.437 0.00 1.15242 0.24 1 2 5 2 o 668.373 657.757 0.00 1.15421 0.08 14 2 0 1 o 674.639 669.921 180.00 1.15045 0.10 6 3 4 2 o 1715.659 1696.602 180.00 1.14964 0.13 10 4 1 2 o 1290.127 1294.437 0.00 1.15242 0.11 5 1 5 1 o 1481.666 1494.155 0.00 1.14876 0.37 14 0 2 1 o 4866.086 4760.906 180.00 1.14587 0.54 6 5 1 1 o 4344.619 4376.935 0.00 1.14829 0.77 14 2 0 2 o 671.253 669.921 180.00 1.15045 0.05 2 2 5 1 o 6802.015 6681.048 0.00 1.14655 1.29 5 1 5 2 o 1529.149 1494.155 0.00 1.14876 0.19 14 0 2 2 o 4818.161 4760.906 180.00 1.14587 0.27 6 5 1 2 o 4452.806 4376.935 0.00 1.14829 0.40 2 2 5 2 o 6804.243 6681.048 0.00 1.14655 0.65 13 2 2 1 o 176.550 184.804 180.00 1.14045 0.03 9 4 2 1 o 3306.911 3399.250 0.00 1.14172 0.59 13 2 2 2 o 183.621 184.804 180.00 1.14045 0.01 4 5 2 1 o 1207.366 1306.858 180.00 1.14019 0.29 9 4 2 2 o 3291.064 3399.250 0.00 1.14172 0.29 10 1 4 1 o 542.712 541.115 180.00 1.13545 0.12 4 5 2 2 o 1302.371 1306.858 180.00 1.14019 0.16 10 1 4 2 o 543.049 541.115 180.00 1.13545 0.06 3 2 5 1 o 1.250 1.219 0.00 1.13411 0.00 3 2 5 2 o 1.215 1.219 0.00 1.13411 0.00 14 2 1 1 o 1714.777 1718.313 0.00 1.13117 0.33 9 2 4 1 o 92.372 92.807 0.00 1.12846 0.01 14 1 2 1 o 45.028 45.686 0.00 1.12790 0.01 14 2 1 2 o 1707.547 1718.313 0.00 1.13117 0.16 9 2 4 2 o 89.708 92.807 0.00 1.12846 0.01 10 3 3 1 o 53.541 56.847 180.00 1.12542 0.01 7 4 3 1 o 1730.990 1825.233 0.00 1.12534 0.36 14 1 2 2 o 44.074 45.686 0.00 1.12790 0.00 10 3 3 2 o 55.258 56.847 180.00 1.12542 0.01 7 4 3 2 o 1785.481 1825.233 0.00 1.12534 0.19 6 1 5 1 o 4863.292 4867.968 0.00 1.12177 0.93 6 1 5 2 o 4918.884 4867.968 0.00 1.12177 0.47 7 3 4 1 o 1458.670 1494.155 180.00 1.11787 0.25 4 2 5 1 o 720.428 754.099 180.00 1.11736 0.12 5 5 2 1 o 98.841 98.612 180.00 1.11844 0.02 7 3 4 2 o 1396.299 1494.155 180.00 1.11787 0.12 4 2 5 2 o 710.938 754.099 180.00 1.11736 0.06 7 5 1 1 o 1595.315 1725.036 180.00 1.11663 0.27 5 5 2 2 o 88.403 98.612 180.00 1.11844 0.01 0 4 4 1 o 3057.630 3158.405 0.00 1.11313 0.27 12 3 2 1 o 268.674 282.130 0.00 1.11297 0.07 15 1 1 1 o 402.411 420.598 180.00 1.11425 0.06 7 5 1 2 o 1653.105 1725.036 180.00 1.11663 0.14 1 4 4 1 o 1378.387 1475.145 0.00 1.11082 0.24 0 4 4 2 o 2935.532 3158.405 0.00 1.11313 0.13 12 3 2 2 o 251.484 282.130 0.00 1.11297 0.03 15 1 1 2 o 403.419 420.598 180.00 1.11425 0.03 1 4 4 2 o 1357.368 1475.145 0.00 1.11082 0.12 12 2 3 1 o 782.952 855.682 180.00 1.10780 0.15 13 3 1 1 o 104.227 114.004 180.00 1.10889 0.02 12 2 3 2 o 778.472 855.682 180.00 1.10780 0.07 2 4 4 1 o 1916.425 2077.442 180.00 1.10399 0.32 13 3 1 2 o 102.051 114.004 180.00 1.10889 0.01 11 0 4 1 o 1405.941 1507.747 180.00 1.10320 0.11 2 4 4 2 o 1947.585 2077.442 180.00 1.10399 0.17 13 1 3 1 o 2058.760 2249.749 180.00 1.10073 0.40 11 0 4 2 o 1387.061 1507.747 180.00 1.10320 0.06 11 4 1 1 o 393.873 415.673 180.00 1.10201 0.06 13 1 3 2 o 1948.836 2249.749 180.00 1.10073 0.19 8 5 0 1 o 535.441 615.337 0.00 1.10005 0.06 10 4 2 1 o 348.403 405.584 0.00 1.09705 0.06 5 2 5 1 o 80.889 100.394 180.00 1.09687 0.02 11 4 1 2 o 371.499 415.673 180.00 1.10201 0.03 8 5 0 2 o 511.923 615.337 0.00 1.10005 0.03 10 4 2 2 o 332.247 405.584 0.00 1.09705 0.03 5 2 5 2 o 76.355 100.394 180.00 1.09687 0.01 6 5 2 1 o 761.447 991.473 0.00 1.09348 0.17 3 4 4 1 o 402.191 484.886 180.00 1.09287 0.06 7 1 5 1 o 19.968 25.739 180.00 1.09219 0.00 8 4 3 1 o 5.474 8.787 0.00 1.09110 0.00 6 5 2 2 o 835.413 991.473 0.00 1.09348 0.09 3 4 4 2 o 441.553 484.886 180.00 1.09287 0.04 11 1 4 1 o 16.549 17.043 180.00 1.08714 0.00 7 1 5 2 o 23.472 25.739 180.00 1.09219 0.00 8 4 3 2 o 8.361 8.787 0.00 1.09110 0.00 10 2 4 1 o -0.151 0.119 180.00 1.08526 0.00 11 1 4 2 o 16.286 17.043 180.00 1.08714 0.00 1 5 3 1 o 569.751 603.431 180.00 1.08544 0.10 10 2 4 2 o 0.060 0.119 180.00 1.08526 0.00 8 3 4 1 o 3132.248 3223.658 0.00 1.08429 0.56 1 5 3 2 o 598.789 603.431 180.00 1.08544 0.05 8 3 4 2 o 3199.487 3223.658 0.00 1.08429 0.28 8 5 1 1 o 2295.781 2312.076 180.00 1.08315 0.39 2 5 3 1 o 76.899 77.132 0.00 1.07906 0.01 15 0 2 1 o 452.474 454.065 0.00 1.07901 0.03 14 2 2 1 o 1525.551 1531.164 180.00 1.07867 0.35 11 3 3 1 o 151.389 152.448 0.00 1.07833 0.03 8 5 1 2 o 2307.318 2312.076 180.00 1.08315 0.19 4 4 4 1 o 344.667 346.772 0.00 1.07786 0.06 16 0 0 1 o 120.187 120.213 0.00 1.07894 0.01 2 5 3 2 o 72.861 77.132 0.00 1.07906 0.01 15 0 2 2 o 426.184 454.065 0.00 1.07901 0.02 14 2 2 2 o 1334.433 1531.164 180.00 1.07867 0.15 11 3 3 2 o 125.283 152.448 0.00 1.07833 0.01 4 4 4 2 o 288.812 346.772 0.00 1.07786 0.02 16 0 0 2 o 104.544 120.213 0.00 1.07894 0.00 6 2 5 1 o 334.202 436.715 180.00 1.07330 0.06 6 2 5 2 o 401.762 436.715 180.00 1.07330 0.04 1 3 5 1 o 21.410 22.795 0.00 1.07029 0.00 12 4 0 1 o 3079.459 3029.375 0.00 1.06927 0.25 3 5 3 1 o 4036.134 3898.698 0.00 1.06867 0.70 1 3 5 2 o 24.194 22.795 0.00 1.07029 0.00 14 3 0 1 o 4425.780 4214.408 180.00 1.06729 0.39 15 2 1 1 o 2110.784 2001.302 180.00 1.06671 0.45 12 4 0 2 o 3163.118 3029.375 0.00 1.06927 0.13 3 5 3 2 o 4070.299 3898.698 0.00 1.06867 0.35 7 5 2 1 o 0.415 0.390 0.00 1.06603 0.00 14 3 0 2 o 4441.846 4214.408 180.00 1.06729 0.20 2 3 5 1 o 60.190 57.804 180.00 1.06418 0.01 15 2 1 2 o 2132.127 2001.302 180.00 1.06671 0.23 15 1 2 1 o 1398.604 1328.826 180.00 1.06397 0.23 7 5 2 2 o 0.422 0.390 0.00 1.06603 0.00 0 6 0 1 o 7978.704 7620.800 180.00 1.06556 0.36 16 1 0 1 o 1803.062 1710.439 0.00 1.06390 0.15 2 3 5 2 o 61.341 57.804 180.00 1.06418 0.00 15 1 2 2 o 1438.529 1328.826 180.00 1.06397 0.12 8 1 5 1 o 2505.841 2292.818 180.00 1.06081 0.45 0 6 0 2 o 8072.298 7620.800 180.00 1.06556 0.18 8 1 5 2 o 2429.899 2292.818 180.00 1.06081 0.22 5 4 4 1 o 63.431 58.378 0.00 1.05943 0.01 13 3 2 1 o 2410.905 2230.992 0.00 1.05930 0.43 16 1 0 2 o 1860.130 1710.439 0.00 1.06390 0.08 13 2 3 1 o 1432.662 1334.755 180.00 1.05483 0.22 12 0 4 1 o 4745.577 4351.809 0.00 1.05478 0.41 5 4 4 2 o 63.193 58.378 0.00 1.05943 0.01 13 3 2 2 o 2416.641 2230.992 0.00 1.05930 0.21 9 4 3 1 o 4442.921 4028.826 180.00 1.05584 0.84 2 6 0 1 o 4354.740 4102.289 0.00 1.05753 0.38 4 5 3 1 o 391.423 361.479 180.00 1.05462 0.06 13 2 3 2 o 1419.469 1334.755 180.00 1.05483 0.11 12 0 4 2 o 4699.115 4351.809 0.00 1.05478 0.20 3 3 5 1 o 47.312 42.283 180.00 1.05421 0.01 12 4 1 1 o 1506.252 1394.575 180.00 1.05373 0.26 11 4 2 1 o 3128.899 2912.087 180.00 1.05329 0.51 9 4 3 2 o 4379.983 4028.826 180.00 1.05584 0.41 2 6 0 2 o 4505.435 4102.289 0.00 1.05753 0.20 4 5 3 2 o 387.451 361.479 180.00 1.05462 0.03 9 3 4 1 o 1071.834 962.991 0.00 1.04966 0.19 14 3 1 1 o 259.762 241.148 180.00 1.05185 0.04 3 3 5 2 o 47.094 42.283 180.00 1.05421 0.01 12 4 1 2 o 1518.154 1394.575 180.00 1.05373 0.13 11 4 2 2 o 3186.241 2912.087 180.00 1.05329 0.26 7 2 5 1 o 236.158 212.642 0.00 1.04731 0.05 9 3 4 2 o 1049.120 962.991 0.00 1.04966 0.09 14 3 1 2 o 266.887 241.148 180.00 1.05185 0.02 9 5 1 1 o 1071.338 971.239 0.00 1.04863 0.19 16 1 1 1 o 2613.121 2385.953 180.00 1.04859 0.44 0 6 1 1 o 1248.325 1126.625 180.00 1.05019 0.10 14 1 3 1 o 70.527 65.813 0.00 1.04488 0.01 7 2 5 2 o 239.072 212.642 0.00 1.04731 0.03 1 6 1 1 o 2936.416 2661.168 0.00 1.04825 0.56 9 5 1 2 o 1076.826 971.239 0.00 1.04863 0.10 16 1 1 2 o 2630.047 2385.953 180.00 1.04859 0.22 0 6 1 2 o 1211.900 1126.625 180.00 1.05019 0.05 11 2 4 1 o 61.228 59.916 180.00 1.04285 0.01 14 1 3 2 o 66.322 65.813 0.00 1.04488 0.00 1 6 1 2 o 3003.100 2661.168 0.00 1.04825 0.29 12 1 4 1 o 10.525 10.573 180.00 1.04071 0.00 11 2 4 2 o 58.851 59.916 180.00 1.04285 0.00 4 3 5 1 o 81.756 82.326 0.00 1.04071 0.01 2 6 1 1 o 1187.651 1177.111 0.00 1.04250 0.20 6 4 4 1 o 51.579 56.397 0.00 1.03814 0.01 12 1 4 2 o 10.258 10.573 180.00 1.04071 0.00 4 3 5 2 o 77.801 82.326 0.00 1.04071 0.00 2 6 1 2 o 1138.220 1177.111 0.00 1.04250 0.09 6 4 4 2 o 52.073 56.397 0.00 1.03814 0.00 5 5 3 1 o 5469.528 5952.027 180.00 1.03734 0.89 8 5 2 1 o 306.967 341.813 0.00 1.03679 0.06 12 3 3 1 o 16.317 17.350 0.00 1.03297 0.00 5 5 3 2 o 5600.028 5952.027 180.00 1.03734 0.46 8 5 2 2 o 321.537 341.813 0.00 1.03679 0.03 12 3 3 2 o 14.905 17.350 0.00 1.03297 0.00 4 6 0 1 o 257.358 268.351 180.00 1.03450 0.02 0 0 6 1 o 6789.382 7121.021 0.00 1.03408 0.34 3 6 1 1 o 389.997 410.716 180.00 1.03312 0.07 9 1 5 1 o 559.010 607.382 180.00 1.02832 0.13 1 0 6 1 o 369.858 382.016 180.00 1.03223 0.02 4 6 0 2 o 257.618 268.351 180.00 1.03450 0.01 0 0 6 2 o 6702.713 7121.021 0.00 1.03408 0.17 3 6 1 2 o 360.905 410.716 180.00 1.03312 0.03 9 1 5 2 o 591.229 607.382 180.00 1.02832 0.07 1 0 6 2 o 338.757 382.016 180.00 1.03223 0.01 10 5 0 1 o 600.566 608.368 180.00 1.02751 0.07 2 0 6 1 o 4522.691 4567.286 180.00 1.02674 0.44 5 3 5 1 o 258.347 242.073 0.00 1.02410 0.05 10 5 0 2 o 604.650 608.368 180.00 1.02751 0.03 15 2 2 1 o 10.255 10.001 0.00 1.02234 0.00 2 0 6 2 o 4814.307 4567.286 180.00 1.02674 0.24 5 3 5 2 o 251.003 242.073 0.00 1.02410 0.03 10 4 3 1 o 21.481 20.703 0.00 1.02020 0.00 16 2 0 1 o 118.222 110.451 0.00 1.02228 0.02 15 2 2 2 o 10.421 10.001 0.00 1.02234 0.00 8 2 5 1 o 3335.489 3077.123 0.00 1.01954 0.59 10 4 3 2 o 21.424 20.703 0.00 1.02020 0.00 16 2 0 2 o 125.641 110.451 0.00 1.02228 0.01 6 5 3 1 o 325.871 304.468 0.00 1.01734 0.05 8 2 5 2 o 3379.775 3077.123 0.00 1.01954 0.30 16 0 2 1 o 616.274 559.785 0.00 1.01907 0.07 1 1 6 1 o 5.895 5.689 0.00 1.01904 0.00 16 0 2 2 o 648.752 559.785 0.00 1.01907 0.03 4 6 1 1 o 126.495 118.737 180.00 1.02041 0.02 3 0 6 1 o 516.907 490.383 0.00 1.01778 0.04 6 5 3 2 o 351.662 304.468 0.00 1.01734 0.03 10 3 4 1 o 1981.998 1658.055 180.00 1.01463 0.39 7 4 4 1 o 391.677 334.553 0.00 1.01457 0.07 1 1 6 2 o 6.021 5.689 0.00 1.01904 0.00 4 6 1 2 o 124.500 118.737 180.00 1.02041 0.01 3 0 6 2 o 567.908 490.383 0.00 1.01778 0.02 10 3 4 2 o 1989.383 1658.055 180.00 1.01463 0.19 7 4 4 2 o 393.820 334.553 0.00 1.01457 0.03 2 1 6 1 o 473.272 412.444 0.00 1.01375 0.08 10 5 1 1 o 249.658 219.325 0.00 1.01370 0.04 12 4 2 1 o 361.602 307.448 180.00 1.01090 0.06 14 3 2 1 o 30.009 28.732 0.00 1.00924 0.00 2 1 6 2 o 494.350 412.444 0.00 1.01375 0.04 10 5 1 2 o 260.230 219.325 0.00 1.01370 0.02 13 0 4 1 o 2344.607 2114.900 0.00 1.00875 0.21 12 4 2 2 o 337.679 307.448 180.00 1.01090 0.03 14 3 2 2 o 30.213 28.732 0.00 1.00924 0.00 16 2 1 1 o 117.387 106.401 180.00 1.00868 0.02 16 1 2 1 o 222.215 198.210 180.00 1.00636 0.04 13 0 4 2 o 2377.638 2114.900 0.00 1.00875 0.10 13 4 1 1 o 2169.987 1933.006 0.00 1.00784 0.41 0 6 2 1 o 63.505 50.696 180.00 1.00777 0.01 9 5 2 1 o 32.409 28.042 0.00 1.00640 0.01 16 2 1 2 o 120.156 106.401 180.00 1.00868 0.01 1 6 2 1 o 3220.383 2880.193 180.00 1.00606 0.53 _reflns_number_observed 699 _reflns_limit_h_min 0 _reflns_limit_h_max 16 _reflns_limit_k_min 0 _reflns_limit_k_max 6 _reflns_limit_l_min 0 _reflns_limit_l_max 6 _reflns_d_resolution_high 1.006 _reflns_d_resolution_low 8.632 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#