data_XU1113_6_CORR_publ _pd_block_id 2011-10-13T18:14|XU1113_6_CORR|Fortes|Overall _audit_creation_method "from EXP file using GSAS2CIF" _audit_creation_date 2011-10-13T18:14 _audit_author_name Fortes _audit_update_record ; 2011-10-13T18:14 Initial CIF as created by GSAS2CIF ; #============================================================================= # this information describes the project, paper etc. for the CIF # # Acta Cryst. Section C papers and editorial correspondence is generated # # from the information in this section # # # # (from) CIF submission form for Rietveld refinements (Acta Cryst. C) # # Version 14 December 1998 # #============================================================================= # 1. SUBMISSION DETAILS _publ_contact_author_name ? # Name of author for correspondence _publ_contact_author_address # Address of author for correspondence ; ? ; _publ_contact_author_email ? _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_contact_letter ; ? ; _publ_requested_journal ? _publ_requested_coeditor_name ? _publ_requested_category ? # Acta C: one of CI/CM/CO/FI/FM/FO #============================================================================== # 2. PROCESSING SUMMARY (IUCr Office Use Only) _journal_data_validation_number ? _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full ? _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_paper_category ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #============================================================================== # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ? ; # The loop structure below should contain the names and addresses of all # authors, in the required order of publication. Repeat as necessary. loop_ _publ_author_name _publ_author_footnote _publ_author_address ? #<--'Last name, first name' ; ? ; ; ? ; #============================================================================== # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_exptl_prep # Details of the preparation of the sample(s) # should be given here. ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_references ; ? ; _publ_section_figure_captions ; ? ; _publ_section_acknowledgements ; ? ; #============================================================================= # 5. OVERALL REFINEMENT & COMPUTING DETAILS _refine_special_details ; ? ; _pd_proc_ls_special_details ; ? ; # The following items are used to identify the programs used. _computing_molecular_graphics ? _computing_publication_material ? _refine_ls_weighting_scheme ? _refine_ls_weighting_details ? _refine_ls_hydrogen_treatment ? _refine_ls_extinction_method ? _refine_ls_extinction_coef ? _refine_ls_number_constraints ? _refine_ls_restrained_S_all ? _refine_ls_restrained_S_obs ? #============================================================================== # 6. SAMPLE PREPARATION DATA # (In the unusual case where multiple samples are used in a single # Rietveld study, this information should be moved into the phase # blocks) # The following three fields describe the preparation of the material. # The cooling rate is in K/min. The pressure at which the sample was # prepared is in kPa. The temperature of preparation is in K. _pd_prep_cool_rate ? _pd_prep_pressure ? _pd_prep_temperature ? _pd_char_colour ? # use ICDD colour descriptions data_XU1113_6_CORR_overall _refine_ls_shift/su_max 0.04 _refine_ls_shift/su_mean 0.00 _computing_structure_refinement GSAS _refine_ls_number_parameters 79 _refine_ls_goodness_of_fit_all 2.22 _refine_ls_number_restraints 31 _refine_ls_matrix_type full # pointers to the phase blocks loop_ _pd_phase_block_id 2011-10-13T18:14|XU1113_6_CORR_phase1|Fortes|| 2011-10-13T18:14|XU1113_6_CORR_phase2|Fortes|| # pointers to the diffraction patterns loop_ _pd_block_diffractogram_id 2011-10-13T18:14|XU1113_6_CORR_H_01|Fortes|PANAlytical_XPert_Pro_MPD # Information for phase 1 data_XU1113_6_CORR_phase_1 _pd_block_id 2011-10-13T18:14|XU1113_6_CORR_phase1|Fortes|| # Histograms for phase 1 loop_ _pd_block_diffractogram_id 2011-10-13T18:14|XU1113_6_CORR_H_01|Fortes|PANAlytical_XPert_Pro_MPD #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall ? _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _cell_measurement_temperature ? _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution ? #============================================================================== # 8. Phase information from GSAS _pd_phase_name Ice _cell_length_a 4.519457(28) _cell_length_b 4.519457 _cell_length_c 7.36004(6) _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_volume 130.1920(20) _symmetry_cell_setting hexagonal _symmetry_space_group_name_H-M P63/mmc loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 x-y,+x,+z+1/2 3 -y,x-y,+z 4 -x,-y,+z+1/2 5 y-x,-x,+z 6 +y,y-x,+z+1/2 7 y-x,+y,+z 8 -x,y-x,+z+1/2 9 -y,-x,+z 10 x-y,-y,+z+1/2 11 +x,x-y,+z 12 +y,+x,+z+1/2 -1 -x,-y,-z -2 y-x,-x,-z+1/2 -3 +y,y-x,-z -4 +x,+y,-z+1/2 -5 x-y,+x,-z -6 -y,x-y,-z+1/2 -7 x-y,-y,-z -8 +x,x-y,-z+1/2 -9 +y,+x,-z -10 y-x,+y,-z+1/2 -11 -x,y-x,-z -12 -y,-x,-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 H H2 0.451 0.9019 0.0179 0.5 Uiso 0.025 12 H H1 0.3333 0.6667 0.1964 0.5 Uiso 0.025 4 O O1 0.3333 0.6667 0.0614 1.0 Uiso 0.025 4 loop_ _atom_type_symbol _atom_type_number_in_cell H 8.0 O 4.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "H2.00 O" _chemical_formula_weight 18.01 _cell_formula_units_Z 4 # 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 H2 H2 1.594690(10) . 3_665 N H2 H2 1.594690(10) . 5_565 N H2 H2 0.81187 . -1_675 N H2 H1 1.604190(10) . 1_555 N H2 O1 0.974650(10) . 1_555 N H2 O1 1.786510(10) . -1_675 N H1 H2 1.604190(10) . 1_555 N H1 H2 1.604190(10) . 3_665 N H1 H2 1.604410(10) . 5_565 N H1 H1 0.789000(10) . -2_565 N H1 O1 0.993610(10) . 1_555 N H1 O1 1.782600(20) . -2_565 N O1 H2 0.974650(10) . 1_555 N O1 H2 0.974650(10) . 3_665 N O1 H2 0.975020(10) . 5_565 N O1 H2 1.786510(10) . -1_675 N O1 H2 1.786510(10) . -3_455 N O1 H2 1.786880(10) . -5_655 N O1 H1 0.993610(10) . 1_555 N O1 H1 1.782600(20) . -2_565 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 H2 H2 O1 180.0 -1_675 . 1_555 N H1 H1 O1 180.0 -2_565 . 1_555 N H2 O1 H2 109.78680(20) 1_555 . 3_665 N H2 O1 H2 109.75590(20) 1_555 . 5_565 N H2 O1 H1 109.17710(20) 1_555 . 1_555 N H2 O1 H2 109.75590(20) 3_665 . 5_565 N H2 O1 H1 109.17710(20) 3_665 . 1_555 N H2 O1 H1 109.16950(20) 5_565 . 1_555 N # Information for phase 2 data_XU1113_6_CORR_phase_2 _pd_block_id 2011-10-13T18:14|XU1113_6_CORR_phase2|Fortes|| # Histograms for phase 2 loop_ _pd_block_diffractogram_id 2011-10-13T18:14|XU1113_6_CORR_H_01|Fortes|PANAlytical_XPert_Pro_MPD #============================================================================== # 7. CHEMICAL, STRUCTURAL AND CRYSTAL DATA _pd_char_particle_morphology ? _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_melting_point ? _chemical_compound_source ? # for minerals and # natural products _symmetry_space_group_name_Hall ? _exptl_crystal_F_000 ? _exptl_crystal_density_diffrn ? _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _cell_measurement_temperature ? _cell_special_details ; ? ; _geom_special_details ? # The following item identifies the program(s) used (if appropriate). _computing_structure_solution ? #============================================================================== # 8. Phase information from GSAS _pd_phase_name MgCrO4.11H2O _cell_length_a 6.81133(8) _cell_length_b 6.95838(8) _cell_length_c 17.38504(22) _cell_angle_alpha 87.9201(12) _cell_angle_beta 89.4803(12) _cell_angle_gamma 62.7724(7) _cell_volume 732.169(9) _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M "P -1" loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z -1 -x,-y,-z # ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Mg Mg1 1.0 0.0 0.0 1.0 Uiso 0.046(4) 1 O OW1 0.65805(23) 0.1854(13) 0.0084(6) 1.0 Uiso 0.0127(13) 2 O OW2 0.9780(17) -0.2619(10) 0.0546(5) 1.0 Uiso 0.0127(13) 2 O OW3 1.0413(16) 0.1052(14) 0.10695(24) 1.0 Uiso 0.0127(13) 2 Mg Mg2 1.0 0.0 0.5 1.0 Uiso 0.046(4) 1 O OW4 1.1527(15) -0.1051(14) 0.39419(26) 1.0 Uiso 0.0127(13) 2 O OW5 0.8180(14) -0.1700(14) 0.4854(6) 1.0 Uiso 0.0127(13) 2 O OW6 0.7498(11) 0.2725(9) 0.4445(5) 1.0 Uiso 0.0127(13) 2 Cr Cr 0.4070(7) 0.3184(8) 0.20261(25) 1.0 Uiso 0.0494(27) 2 O O1 0.2938(17) 0.3385(18) 0.11790(32) 1.0 Uiso 0.0127(13) 2 O O2 0.2117(13) 0.4441(14) 0.2650(4) 1.0 Uiso 0.0127(13) 2 O O3 0.5442(15) 0.0628(7) 0.2301(6) 1.0 Uiso 0.0127(13) 2 O O4 0.5768(15) 0.4260(15) 0.1998(7) 1.0 Uiso 0.0127(13) 2 O OW7 0.3156(21) 0.4060(20) 0.4208(7) 1.0 Uiso 0.0127(13) 2 O OW8 0.6047(19) -0.2391(20) 0.1159(6) 1.0 Uiso 0.0127(13) 2 O OW9 0.5562(19) -0.1516(21) 0.3616(7) 1.0 Uiso 0.0127(13) 2 O OW10 0.8311(20) 0.4439(20) 0.3136(7) 1.0 Uiso 0.0127(13) 2 O OW11 1.0005(20) -0.0975(20) 0.2473(6) 1.0 Uiso 0.0127(13) 2 loop_ _atom_type_symbol _atom_type_number_in_cell O 30.0 Mg 2.0 Cr 2.0 # If you change Z, be sure to change all 3 of the following _chemical_formula_sum "Cr Mg O15" _chemical_formula_weight 316.29 _cell_formula_units_Z 2 # MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag Mg1 OW1 2.0901(7) . 1_555 N Mg1 OW1 2.0901(7) . -1_755 N Mg1 OW2 2.0900(7) . 1_555 N Mg1 OW2 2.0900(7) . -1_755 N Mg1 OW3 2.0900(7) . 1_555 N Mg1 OW3 2.0900(7) . -1_755 N OW1 Mg1 2.0901(7) . 1_555 N OW2 Mg1 2.0900(7) . 1_555 N OW3 Mg1 2.0900(7) . 1_555 N Mg2 OW4 2.0900(7) . 1_555 N Mg2 OW4 2.0900(7) . -1_756 N Mg2 OW5 2.0901(7) . 1_555 N Mg2 OW5 2.0901(7) . -1_756 N Mg2 OW6 2.0902(7) . 1_555 N Mg2 OW6 2.0902(7) . -1_756 N OW4 Mg2 2.0900(7) . 1_555 N OW5 Mg2 2.0901(7) . 1_555 N OW6 Mg2 2.0902(7) . 1_555 N Cr O1 1.6399(5) . 1_555 N Cr O2 1.6402(5) . 1_555 N Cr O3 1.6402(5) . 1_555 N Cr O4 1.6401(5) . 1_555 N O1 Cr 1.6399(5) . 1_555 N O2 Cr 1.6402(5) . 1_555 N O3 Cr 1.6402(5) . 1_555 N O4 Cr 1.6401(5) . 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 OW1 Mg1 OW1 180.0 1_555 . -1_755 N OW1 Mg1 OW2 89.93(8) 1_555 . 1_555 N OW1 Mg1 OW2 90.07(8) 1_555 . -1_755 N OW1 Mg1 OW3 90.01(8) 1_555 . 1_555 N OW1 Mg1 OW3 89.99(8) 1_555 . -1_755 N OW1 Mg1 OW2 90.07(8) -1_755 . 1_555 N OW1 Mg1 OW2 89.93(8) -1_755 . -1_755 N OW1 Mg1 OW3 89.99(8) -1_755 . 1_555 N OW1 Mg1 OW3 90.01(8) -1_755 . -1_755 N OW2 Mg1 OW2 180.0 1_555 . -1_755 N OW2 Mg1 OW3 89.90(8) 1_555 . 1_555 N OW2 Mg1 OW3 90.10(8) 1_555 . -1_755 N OW2 Mg1 OW3 90.10(8) -1_755 . 1_555 N OW2 Mg1 OW3 89.90(8) -1_755 . -1_755 N OW3 Mg1 OW3 180.0 1_555 . -1_755 N OW4 Mg2 OW4 180.0 1_555 . -1_756 N OW4 Mg2 OW5 90.03(8) 1_555 . 1_555 N OW4 Mg2 OW5 89.97(8) 1_555 . -1_756 N OW4 Mg2 OW6 89.93(8) 1_555 . 1_555 N OW4 Mg2 OW6 90.07(8) 1_555 . -1_756 N OW4 Mg2 OW5 89.97(8) -1_756 . 1_555 N OW4 Mg2 OW5 90.03(8) -1_756 . -1_756 N OW4 Mg2 OW6 90.07(8) -1_756 . 1_555 N OW4 Mg2 OW6 89.93(8) -1_756 . -1_756 N OW5 Mg2 OW5 180.0 1_555 . -1_756 N OW5 Mg2 OW6 90.00(8) 1_555 . 1_555 N OW5 Mg2 OW6 90.00(8) 1_555 . -1_756 N OW5 Mg2 OW6 90.00(8) -1_756 . 1_555 N OW5 Mg2 OW6 90.00(8) -1_756 . -1_756 N OW6 Mg2 OW6 180.0 1_555 . -1_756 N O1 Cr O2 109.00(7) 1_555 . 1_555 N O1 Cr O3 109.7(6) 1_555 . 1_555 N O1 Cr O4 110.9(5) 1_555 . 1_555 N O2 Cr O3 108.96(7) 1_555 . 1_555 N O2 Cr O4 109.3(7) 1_555 . 1_555 N O3 Cr O4 108.96(7) 1_555 . 1_555 N # Powder diffraction data for histogram 1 data_XU1113_6_CORR_p_01 _pd_block_id 2011-10-13T18:14|XU1113_6_CORR_H_01|Fortes|PANAlytical_XPert_Pro_MPD #============================================================================== # 9. INSTRUMENT CHARACTERIZATION _exptl_special_details ; ? ; # if regions of the data are excluded, the reason(s) are supplied here: _pd_proc_info_excluded_regions ; ? ; # The following item is used to identify the equipment used to record # the powder pattern when the diffractogram was measured at a laboratory # other than the authors' home institution, e.g. when neutron or synchrotron # radiation is used. _pd_instr_location ; ? ; _pd_calibration_special_details # description of the method used # to calibrate the instrument ; ? ; _diffrn_ambient_temperature ? _diffrn_source ? _diffrn_source_target ? _diffrn_source_type ? _diffrn_measurement_device_type ? _diffrn_detector ? _diffrn_detector_type ? # make or model of detector _pd_meas_scan_method ? # options are 'step', 'cont', # 'tof', 'fixed' or # 'disp' (= dispersive) _pd_meas_special_details ; ? ; # The following two items identify the program(s) used (if appropriate). _computing_data_collection ? _computing_data_reduction ? # Describe any processing performed on the data, prior to refinement. # For example: a manual Lp correction or a precomputed absorption correction _pd_proc_info_data_reduction ? # The following item is used for angular dispersive measurements only. _diffrn_radiation_monochromator ? # The following items are used to define the size of the instrument. # Not all distances are appropriate for all instrument types. _pd_instr_dist_src/mono ? _pd_instr_dist_mono/spec ? _pd_instr_dist_src/spec ? _pd_instr_dist_spec/anal ? _pd_instr_dist_anal/detc ? _pd_instr_dist_spec/detc ? # 10. Specimen size and mounting information # The next three fields give the specimen dimensions in mm. The equatorial # plane contains the incident and diffracted beam. _pd_spec_size_axial ? # perpendicular to # equatorial plane _pd_spec_size_equat ? # parallel to # scattering vector # in transmission _pd_spec_size_thick ? # parallel to # scattering vector # in reflection _pd_spec_mounting # This field should be # used to give details of the # container. ; ? ; _pd_spec_mount_mode ? # options are 'reflection' # or 'transmission' _pd_spec_shape ? # options are 'cylinder' # 'flat_sheet' or 'irregular' # phase table loop_ _pd_phase_id _pd_phase_block_id _pd_phase_mass_% _pd_proc_ls_profile_function _pd_proc_ls_peak_cutoff 1 2011-10-13T18:14|XU1113_6_CORR_phase1|Fortes|| 31.62 ; CW Profile function number 3 with 19 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. #1(GU) = 2.000 #2(GV) = -2.000 #3(GW) = 5.000 #4(GP) = 0.100 #5(LX) = 0.000 #6(LY) = 6.022 #7(S/L) = 0.0250 #8(H/L) = 0.0250 #9(trns) = 1.82 #10(shft)= -11.3427 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = 0.000 #15(L22) = 0.000 #16(L33) = 0.000 #17(L12) = 0.000 #18(L13) = 0.000 #19(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0050 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.00500 2 2011-10-13T18:14|XU1113_6_CORR_phase2|Fortes|| 68.38(21) ; CW Profile function number 3 with 19 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. #1(GU) = 2.000 #2(GV) = -2.000 #3(GW) = 5.000 #4(GP) = 0.100 #5(LX) = 0.000 #6(LY) = 5.854 #7(S/L) = 0.0250 #8(H/L) = 0.0250 #9(trns) = 1.82 #10(shft)= -11.3427 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = 0.000 #15(L22) = 0.000 #16(L33) = 0.000 #17(L12) = 0.000 #18(L13) = 0.000 #19(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0050 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; 0.00500 loop_ _atom_type_symbol _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 H 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 O 0.060 0.100 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C Mg 0.190 0.200 5.42040 2.82750 2.17350 79.2611 1.22690 0.38080 2.30730 7.19370 0.85840 International_Tables_Vol_C Cr -0.870 3.400 10.6406 6.10380 7.35370 0.39200 3.32400 20.2626 1.49220 98.7399 1.18320 International_Tables_Vol_C _diffrn_radiation_probe x-ray _diffrn_radiation_polarisn_ratio ? _diffrn_radiation_wavelength 1.788996 _diffrn_radiation_type ? _pd_proc_ls_prof_R_factor 0.0246 _pd_proc_ls_prof_wR_factor 0.0359 _pd_proc_ls_prof_wR_expected 0.0163 _refine_ls_R_Fsqd_factor 0.13130 _pd_proc_ls_background_function ; GSAS Background function number 1 with 10 terms. Shifted Chebyshev function of 1st kind 1: 3511.37 2: -786.852 3: 447.592 4: -272.220 5: 194.848 6: -104.724 7: 26.6610 8: -4.00778 9: -4.15496 10: 14.7602 ; _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_correction_T_max 1.00000 # Extinction correction _gsas_exptl_extinct_corr_T_min 1.00000 _gsas_exptl_extinct_corr_T_max 1.00000 _pd_proc_info_datetime 2011-10-13T18:14:24 _pd_calc_method "Rietveld Refinement" #---- raw/calc data loop ----- _pd_meas_2theta_range_min 5.014 _pd_meas_2theta_range_max 89.98 _pd_meas_2theta_range_inc 0.017 _pd_proc_2theta_range_min 5.047 _pd_proc_2theta_range_max 90.013 _pd_proc_2theta_range_inc 0.017 loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 5026.0 0.0001990 5329.35986 5329.38037 5574.0 0.0001794 5325.17578 5325.19629 5864.0 0.0001705 5320.99609 5321.01611 5557.0 0.0001800 5316.81934 5316.83936 5227.0 0.0001913 5312.64600 5312.66602 5143.0 0.0001944 5308.47656 5308.49609 5174.0 0.0001933 5304.31006 5304.32959 5538.0 0.0001806 5300.14746 5300.16699 5268.0 0.0001898 5295.98877 5296.00830 5687.0 0.0001758 5291.83350 5291.85254 5501.0 0.0001818 5287.68213 5287.70117 5337.0 0.0001874 5283.53467 5283.55322 5627.0 0.0001777 5279.39014 5279.40869 5391.0 0.0001855 5275.25000 5275.26855 5344.0 0.0001871 5271.11328 5278.97656 5257.0 0.0001902 5266.97998 5280.29590 5196.0 0.0001925 5262.85107 5282.58887 5334.0 0.0001875 5258.72559 5285.38574 5218.0 0.0001916 5254.60400 5288.51758 5272.0 0.0001897 5250.48633 5291.96143 5354.0 0.0001868 5246.37256 5295.73242 5614.0 0.0001781 5242.26270 5299.84717 5372.0 0.0001862 5238.15625 5304.33252 5001.0 0.0002000 5234.05420 5309.21094 5267.0 0.0001899 5229.95654 5314.51416 5558.0 0.0001799 5225.86182 5320.27344 5396.0 0.0001853 5221.77197 5326.52588 5238.0 0.0001909 5217.68555 5333.31104 5328.0 0.0001877 5213.60303 5340.67480 5279.0 0.0001894 5209.52490 5348.66797 5296.0 0.0001888 5205.45020 5357.35010 5377.0 0.0001860 5201.38037 5366.78613 5552.0 0.0001801 5197.31396 5377.05225 5680.0 0.0001761 5193.25195 5388.23340 5340.0 0.0001873 5189.19434 5400.43018 5252.0 0.0001904 5185.14014 5413.75830 5312.0 0.0001883 5181.09082 5428.35254 5242.0 0.0001908 5177.04492 5444.37305 5326.0 0.0001878 5173.00342 5462.00586 5243.0 0.0001907 5168.96680 5481.47949 5368.0 0.0001863 5164.93359 5503.06738 5488.0 0.0001822 5160.90479 5527.10107 5311.0 0.0001883 5156.87988 5553.99805 5239.0 0.0001909 5152.85986 5584.27588 5409.0 0.0001849 5148.84375 5618.59814 5663.0 0.0001766 5144.83203 5657.83447 5373.0 0.0001861 5140.82471 5703.13428 5597.0 0.0001787 5136.82129 5756.08496 5591.0 0.0001789 5132.82275 5818.92627 5385.0 0.0001857 5128.82861 5894.98584 5535.0 0.0001807 5124.83838 5989.54053 5787.0 0.0001728 5120.85303 6111.73730 5613.0 0.0001782 5116.87158 6280.26807 5987.0 0.0001670 5112.89453 6537.85840 6485.0 0.0001542 5108.92236 6957.12646 6954.0 0.0001438 5104.95410 7519.39551 7588.0 0.0001318 5100.99072 7842.60791 7258.0 0.0001378 5097.03125 7392.26514 6260.0 0.0001597 5093.07666 6368.66016 5713.0 0.0001750 5089.12695 5547.48584 5730.0 0.0001745 5085.18115 5199.90186 5042.0 0.0001983 5081.24023 5111.23975 5380.0 0.0001859 5077.30322 5092.02881 5201.0 0.0001923 5073.37109 5084.01123 4981.0 0.0002008 5069.44385 5077.81494 4944.0 0.0002023 5065.52100 5065.53320 4872.0 0.0002053 5061.60303 5061.61475 5304.0 0.0001885 5057.68896 5057.70068 5196.0 0.0001925 5053.77979 5053.79150 5118.0 0.0001954 5049.87598 5049.88721 5096.0 0.0001962 5045.97607 5045.98730 5154.0 0.0001940 5042.08057 5042.09180 5261.0 0.0001901 5038.18994 5038.20117 5144.0 0.0001944 5034.30420 5034.31543 4921.0 0.0002032 5030.42383 5030.43457 5014.0 0.0001994 5026.54736 5026.55811 4940.0 0.0002024 5022.67578 5022.68652 4947.0 0.0002021 5018.80859 5018.81934 5021.0 0.0001992 5014.94629 5014.95703 5088.0 0.0001965 5011.08936 5011.09961 5047.0 0.0001981 5007.23633 5007.24658 4871.0 0.0002053 5003.38867 5003.39893 4838.0 0.0002067 4999.54541 4999.55566 4994.0 0.0002002 4995.70703 4995.71729 4956.0 0.0002018 4991.87402 4991.88428 4876.0 0.0002051 4988.04492 4988.05518 5074.0 0.0001971 4984.22168 4984.23145 5221.0 0.0001915 4980.40283 4980.41260 5318.0 0.0001880 4976.58838 4976.59814 5152.0 0.0001941 4972.77979 4972.78906 5174.0 0.0001933 4968.97510 4968.98486 4977.0 0.0002009 4965.17578 4965.18555 4852.0 0.0002061 4961.38135 4961.39063 4841.0 0.0002066 4957.59180 4957.60107 4927.0 0.0002030 4953.80762 4953.81689 5006.0 0.0001998 4950.02734 4950.03662 5089.0 0.0001965 4946.25293 4946.26221 4864.0 0.0002056 4942.48291 4942.49170 4900.0 0.0002041 4938.71826 4938.72705 4755.0 0.0002103 4934.95898 4934.96729 4833.0 0.0002069 4931.20410 4931.21240 5122.0 0.0001952 4927.45410 4927.46289 5051.0 0.0001980 4923.70947 4923.71777 4889.0 0.0002045 4919.96973 4919.97803 5127.0 0.0001950 4916.23486 4916.24316 4913.0 0.0002035 4912.50537 4912.51318 4991.0 0.0002004 4908.78076 4908.78857 5067.0 0.0001974 4905.06104 4905.06885 4971.0 0.0002012 4901.34619 4901.35449 4803.0 0.0002082 4897.63721 4897.64502 4924.0 0.0002031 4893.93311 4893.94092 5251.0 0.0001904 4890.23389 4890.24170 5193.0 0.0001926 4886.53955 4886.54736 5064.0 0.0001975 4882.85059 4882.85840 4908.0 0.0002037 4879.16699 4879.17432 5090.0 0.0001965 4875.48828 4875.49561 4795.0 0.0002086 4871.81445 4871.82178 5130.0 0.0001949 4868.14600 4868.15332 4862.0 0.0002057 4864.48291 4864.49023 5244.0 0.0001907 4860.82520 4860.83203 5075.0 0.0001970 4857.17188 4857.17920 4687.0 0.0002134 4853.52441 4853.53125 4834.0 0.0002069 4849.88184 4849.88867 4751.0 0.0002105 4846.24414 4846.25098 4747.0 0.0002107 4842.61279 4842.61914 4793.0 0.0002086 4838.98535 4838.99219 4725.0 0.0002116 4835.36426 4835.37061 4758.0 0.0002102 4831.74756 4831.75439 4794.0 0.0002086 4828.13623 4828.14307 4855.0 0.0002060 4824.53076 4824.53711 4889.0 0.0002045 4820.93018 4820.93652 4710.0 0.0002123 4817.33447 4817.34082 4714.0 0.0002121 4813.74463 4813.75098 4900.0 0.0002041 4810.15967 4810.16602 4957.0 0.0002017 4806.58057 4806.58691 5100.0 0.0001961 4803.00635 4803.01221 4910.0 0.0002037 4799.43750 4799.44336 4740.0 0.0002110 4795.87402 4795.87988 4749.0 0.0002106 4792.31543 4792.32129 4749.0 0.0002106 4788.76270 4788.76855 4761.0 0.0002100 4785.21484 4785.22070 4907.0 0.0002038 4781.67285 4781.67871 4913.0 0.0002035 4778.13574 4778.14160 4757.0 0.0002102 4774.60449 4774.60986 4692.0 0.0002131 4771.07813 4771.08398 4590.0 0.0002179 4767.55713 4767.56299 4541.0 0.0002202 4764.04199 4764.04736 4696.0 0.0002129 4760.53223 4760.53760 4806.0 0.0002081 4757.02734 4757.03271 4810.0 0.0002079 4753.52832 4753.53320 4963.0 0.0002015 4750.03418 4750.03955 5055.0 0.0001978 4746.54590 4746.55078 4691.0 0.0002132 4743.06250 4743.06787 4851.0 0.0002061 4739.58496 4739.58984 4873.0 0.0002052 4736.11328 4736.11816 4918.0 0.0002033 4732.64600 4732.65088 4937.0 0.0002026 4729.18506 4729.18994 4815.0 0.0002077 4725.72852 4725.73340 4482.0 0.0002231 4722.27832 4722.28271 4507.0 0.0002219 4718.83350 4718.83838 4721.0 0.0002118 4715.39355 4715.39844 4653.0 0.0002149 4711.95947 4711.96436 4675.0 0.0002139 4708.53125 4708.53564 4658.0 0.0002147 4705.10791 4705.11230 4782.0 0.0002091 4701.69043 4701.69482 4806.0 0.0002081 4698.27783 4698.28271 4471.0 0.0002237 4694.87158 4694.87598 4475.0 0.0002235 4691.47021 4691.47461 4944.0 0.0002023 4688.07422 4688.07861 4892.0 0.0002044 4684.68457 4684.68848 4577.0 0.0002185 4681.29980 4681.30371 4418.0 0.0002263 4677.92041 4677.92480 4650.0 0.0002151 4674.54688 4674.55078 4708.0 0.0002124 4671.17822 4671.18262 4677.0 0.0002138 4667.81592 4667.81982 4920.0 0.0002033 4664.45850 4664.46289 4829.0 0.0002071 4661.10693 4661.11133 4660.0 0.0002146 4657.76123 4657.76514 4664.0 0.0002144 4654.42041 4654.42432 4713.0 0.0002122 4651.08594 4651.08984 4376.0 0.0002285 4647.75635 4647.75977 4477.0 0.0002234 4644.43262 4644.43652 4767.0 0.0002098 4641.11426 4641.11768 4699.0 0.0002128 4637.80127 4637.80518 4687.0 0.0002134 4634.49414 4634.49805 4622.0 0.0002164 4631.19238 4631.19629 4679.0 0.0002137 4627.89648 4627.90039 4781.0 0.0002092 4624.60596 4624.60986 4803.0 0.0002082 4621.32129 4621.32471 4626.0 0.0002162 4618.04199 4618.04541 4357.0 0.0002295 4614.76807 4614.77148 4540.0 0.0002203 4611.50000 4611.50342 4656.0 0.0002148 4608.23730 4608.24072 4825.0 0.0002073 4604.98047 4604.98389 4803.0 0.0002082 4601.72949 4601.73242 4662.0 0.0002145 4598.48340 4598.48682 4645.0 0.0002153 4595.24365 4595.24658 4512.0 0.0002216 4592.00879 4592.01221 4638.0 0.0002156 4588.77979 4588.78320 4625.0 0.0002162 4585.55664 4585.55957 4550.0 0.0002198 4582.33887 4582.34180 4759.0 0.0002101 4579.12695 4579.12988 4760.0 0.0002101 4575.92041 4575.92334 4766.0 0.0002098 4572.71924 4572.72217 4863.0 0.0002056 4569.52441 4569.52734 4641.0 0.0002155 4566.33496 4566.33789 4585.0 0.0002181 4563.15088 4563.15381 4662.0 0.0002145 4559.97217 4559.97510 4707.0 0.0002124 4556.79980 4556.80273 4554.0 0.0002196 4553.63281 4553.63525 4487.0 0.0002229 4550.47119 4550.47412 4305.0 0.0002323 4547.31543 4547.31836 4548.0 0.0002199 4544.16504 4544.16797 4726.0 0.0002116 4541.02051 4541.02344 4735.0 0.0002112 4537.88184 4537.88477 4677.0 0.0002138 4534.74854 4534.75146 4709.0 0.0002124 4531.62109 4531.62354 4509.0 0.0002218 4528.49951 4528.50195 4543.0 0.0002201 4525.38281 4525.38525 4590.0 0.0002179 4522.27246 4522.27490 4469.0 0.0002238 4519.16748 4519.16992 4606.0 0.0002171 4516.06787 4516.07031 4573.0 0.0002187 4512.97412 4512.97656 4446.0 0.0002249 4509.88623 4509.88867 4557.0 0.0002194 4506.80420 4506.80615 4471.0 0.0002237 4503.72754 4503.72949 4436.0 0.0002254 4500.65625 4500.65869 4489.0 0.0002228 4497.59082 4497.59326 4702.0 0.0002127 4494.53125 4494.53320 4703.0 0.0002126 4491.47754 4491.47949 4723.0 0.0002117 4488.42920 4488.43115 4180.0 0.0002392 4485.38623 4485.38867 4287.0 0.0002333 4482.34912 4482.35156 4446.0 0.0002249 4479.31787 4479.31982 4479.0 0.0002233 4476.29199 4476.29443 4405.0 0.0002270 4473.27197 4473.27441 4336.0 0.0002306 4470.25781 4470.26025 4338.0 0.0002305 4467.24902 4467.25098 4293.0 0.0002329 4464.24609 4464.24805 4438.0 0.0002253 4461.24902 4461.25098 4584.0 0.0002182 4458.25732 4458.25928 4630.0 0.0002160 4455.27148 4455.27344 4364.0 0.0002291 4452.29102 4452.29297 4554.0 0.0002196 4449.31641 4449.31787 4475.0 0.0002235 4446.34717 4446.34912 4303.0 0.0002324 4443.38379 4443.38574 4387.0 0.0002279 4440.42627 4440.42822 4246.0 0.0002355 4437.47412 4437.47607 4397.0 0.0002274 4434.52783 4434.52979 4467.0 0.0002239 4431.58740 4431.58936 4488.0 0.0002228 4428.65234 4428.65430 4446.0 0.0002249 4425.72314 4425.72510 4320.0 0.0002315 4422.79932 4422.80127 4369.0 0.0002289 4419.88135 4419.88281 4440.0 0.0002252 4416.96924 4416.97119 4342.0 0.0002303 4414.06250 4414.06445 4231.0 0.0002364 4411.16162 4411.16357 4437.0 0.0002254 4408.26660 4408.26807 4521.0 0.0002212 4405.37695 4405.37842 4475.0 0.0002235 4402.49316 4402.49463 4504.0 0.0002220 4399.61475 4399.61621 4403.0 0.0002271 4396.74219 4396.74365 4316.0 0.0002317 4393.87500 4393.87646 4250.0 0.0002353 4391.01367 4391.01514 4195.0 0.0002384 4388.15869 4388.16016 4270.0 0.0002342 4385.30811 4385.31006 4490.0 0.0002227 4382.46387 4382.46582 4548.0 0.0002199 4379.62549 4379.62695 4304.0 0.0002323 4376.79248 4376.79395 4332.0 0.0002308 4373.96533 4373.96680 4401.0 0.0002272 4371.14355 4371.14502 4207.0 0.0002377 4368.32764 4368.32910 4332.0 0.0002308 4365.51709 4365.51855 4341.0 0.0002304 4362.71240 4362.71387 4196.0 0.0002383 4359.91357 4359.91504 4273.0 0.0002340 4357.12012 4357.12158 4525.0 0.0002210 4354.33252 4354.33398 4645.0 0.0002153 4351.55029 4351.55127 4275.0 0.0002339 4348.77344 4348.77490 4202.0 0.0002380 4346.00293 4346.00439 4452.0 0.0002246 4343.23779 4343.23926 4319.0 0.0002315 4340.47852 4340.47949 4511.0 0.0002217 4337.72461 4337.72559 4549.0 0.0002198 4334.97607 4334.97754 4492.0 0.0002226 4332.23389 4332.23486 4179.0 0.0002393 4329.49658 4329.49805 4334.0 0.0002307 4326.76563 4326.76660 4403.0 0.0002271 4324.03955 4324.04053 4281.0 0.0002336 4321.31934 4321.32080 3952.0 0.0002530 4318.60498 4318.60645 4480.0 0.0002232 4315.89648 4315.89746 4407.0 0.0002269 4313.19287 4313.19434 4212.0 0.0002374 4310.49561 4310.49658 4443.0 0.0002251 4307.80371 4307.80469 4394.0 0.0002276 4305.11719 4305.11865 4544.0 0.0002201 4302.43652 4302.43750 4495.0 0.0002225 4299.76123 4299.76221 4336.0 0.0002306 4297.09180 4297.09277 4137.0 0.0002417 4294.42773 4294.42871 4098.0 0.0002440 4291.76953 4291.77100 3923.0 0.0002549 4289.11670 4289.11768 4119.0 0.0002428 4286.46973 4286.47070 4406.0 0.0002270 4283.82813 4283.82910 4309.0 0.0002321 4281.19238 4281.19336 4317.0 0.0002316 4278.56201 4278.56299 4224.0 0.0002367 4275.93701 4275.93848 4269.0 0.0002342 4273.31787 4273.31885 4166.0 0.0002400 4270.70459 4270.70557 4246.0 0.0002355 4268.09619 4268.09766 4180.0 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3015.51001 3207.55298 3052.0 0.0003277 3015.41479 3175.02979 3045.0 0.0003284 3015.32031 3131.11719 3026.0 0.0003305 3015.22583 3093.83130 3015.0 0.0003317 3015.13159 3068.21240 3028.0 0.0003303 3015.03784 3053.97388 3024.0 0.0003307 3014.94434 3047.36694 3046.0 0.0003283 3014.85107 3045.72070 3084.0 0.0003243 3014.75830 3047.93164 3067.0 0.0003261 3014.66553 3051.55884 3046.0 0.0003283 3014.57349 3053.43872 3123.0 0.0003202 3014.48145 3051.67920 3137.0 0.0003188 3014.39014 3048.98364 3080.0 0.0003247 3014.29883 3048.45435 3104.0 0.0003222 3014.20825 3051.78638 3054.0 0.0003274 3014.11792 3059.37109 3094.0 0.0003232 3014.02783 3070.18774 3142.0 0.0003183 3013.93823 3081.22827 3119.0 0.0003206 3013.84912 3091.08813 3165.0 0.0003160 3013.76025 3103.92065 3161.0 0.0003164 3013.67188 3123.15796 3132.0 0.0003193 3013.58398 3144.74463 3237.0 0.0003089 3013.49658 3156.42896 3255.0 0.0003072 3013.40967 3154.01880 3234.0 0.0003092 3013.32300 3153.66016 3245.0 0.0003082 3013.23706 3171.70972 3314.0 0.0003018 3013.15137 3216.48975 3360.0 0.0002976 3013.06641 3286.80933 3352.0 0.0002983 3012.98169 3377.04272 3399.0 0.0002942 3012.89746 3473.17871 3331.0 0.0003002 3012.81396 3520.99316 3369.0 0.0002968 3012.73096 3467.29834 3337.0 0.0002997 3012.64844 3357.22241 3207.0 0.0003118 3012.56665 3256.83228 3181.0 0.0003144 3012.48511 3192.78052 3122.0 0.0003203 3012.40430 3164.75586 3193.0 0.0003132 3012.32397 3158.18774 3091.0 0.0003235 3012.24414 3152.12231 3078.0 0.0003249 3012.16528 3136.22144 3088.0 0.0003238 3012.08667 3114.26440 3076.0 0.0003251 3012.00879 3093.70972 3085.0 0.0003241 3011.93140 3077.57788 3043.0 0.0003286 3011.85498 3067.71875 3103.0 0.0003223 3011.77905 3062.29248 3053.0 0.0003275 3011.70361 3057.08374 3035.0 0.0003295 3011.62891 3049.66040 3049.0 0.0003280 3011.55493 3042.10376 3017.0 0.0003315 3011.48169 3036.14893 3039.0 0.0003291 3011.40918 3032.14038 3030.0 0.0003300 3011.33716 3029.62231 3039.0 0.0003291 3011.26611 3029.46533 3064.0 0.0003264 3011.19556 3029.19604 3063.0 0.0003265 3011.12573 3029.44482 3050.0 0.0003279 3011.05688 3030.00806 3042.0 0.0003287 3010.98853 3031.90381 3046.0 0.0003283 3010.92114 3035.30200 3077.0 0.0003250 3010.85449 3040.15161 3111.0 0.0003214 3010.78857 3047.63672 3114.0 0.0003211 3010.72363 3056.86938 3147.0 0.0003178 3010.65942 3069.39746 3097.0 0.0003229 3010.59595 3088.84448 3057.0 0.0003271 3010.53345 3118.59692 3171.0 0.0003154 3010.47168 3153.48975 3219.0 0.0003107 3010.41089 3183.17065 3204.0 0.0003121 3010.35083 3190.87744 3247.0 0.0003080 3010.29175 3181.86670 3196.0 0.0003129 3010.23340 3174.62573 3161.0 0.0003164 3010.17603 3185.49854 3152.0 0.0003173 3010.11987 3216.22656 3172.0 0.0003153 3010.06421 3247.76880 3198.0 0.0003127 3010.00977 3247.26489 3132.0 0.0003193 3009.95605 3213.24585 3135.0 0.0003190 3009.90356 3175.83667 3142.0 0.0003183 3009.85205 3148.96655 3127.0 0.0003198 3009.80127 3133.58130 3119.0 0.0003206 3009.75171 3124.45996 3182.0 0.0003143 3009.70313 3122.96240 3163.0 0.0003162 3009.65552 3132.57861 3196.0 0.0003129 3009.60889 3159.08057 3193.0 0.0003132 3009.56348 3207.64160 3208.0 0.0003117 3009.51904 3275.42773 3311.0 0.0003020 3009.47559 3339.10181 3301.0 0.0003029 3009.43335 3356.60083 3344.0 0.0002990 3009.39233 3324.43921 3296.0 0.0003034 3009.35229 3283.83667 3316.0 0.0003016 3009.31323 3267.18115 3278.0 0.0003051 3009.27563 3280.37158 3321.0 0.0003011 3009.23901 3311.07178 3407.0 0.0002935 3009.20361 3339.90576 3359.0 0.0002977 3009.16919 3344.07983 3437.0 0.0002910 3009.13623 3313.80103 3272.0 0.0003056 3009.10425 3259.57495 3286.0 0.0003043 3009.07373 3205.95654 3203.0 0.0003122 3009.04419 3164.45288 3175.0 0.0003150 3009.01611 3134.54053 3011.0 0.0003321 3008.98926 3116.75928 3120.0 0.0003205 3008.96362 3112.59277 3154.0 0.0003171 3008.93921 3121.67017 3202.0 0.0003123 3008.91626 3143.06348 3202.0 0.0003123 3008.89453 3173.53809 3201.0 0.0003124 3008.87427 3208.95654 3348.0 0.0002987 3008.85522 3257.19287 3342.0 0.0002992 3008.83740 3333.74854 3318.0 0.0003014 3008.82129 3428.78711 3394.0 0.0002946 3008.80640 3496.83838 3359.0 0.0002977 3008.79272 3491.58057 3357.0 0.0002979 3008.78076 3416.58496 3354.0 0.0002982 3008.77002 3313.84619 3267.0 0.0003061 3008.76099 3225.46899 3172.0 0.0003153 3008.75317 3162.05591 3166.0 0.0003159 3008.74683 3121.91235 3075.0 0.0003252 3008.74219 3101.07324 3143.0 0.0003182 3008.73901 3090.97534 3150.0 0.0003175 3008.73706 3082.62598 3132.0 0.0003193 3008.73706 3072.97046 3140.0 0.0003185 3008.73828 3061.48901 3168.0 0.0003157 3008.74121 3050.29468 3171.0 0.0003154 3008.74585 3041.55151 3129.0 0.0003196 3008.75195 3035.40356 3091.0 0.0003235 3008.75952 3031.25879 3068.0 0.0003259 3008.76904 3029.20166 3078.0 0.0003249 3008.78003 3028.01074 3061.0 0.0003267 3008.79248 3028.05811 3049.0 0.0003280 3008.80688 3028.78369 3032.0 0.0003298 3008.82300 3029.53271 3068.0 0.0003259 3008.84058 3029.66772 3097.0 0.0003229 3008.86011 3029.76416 3074.0 0.0003253 3008.88135 3030.27661 3043.0 0.0003286 3008.90430 3031.33960 3063.0 0.0003265 3008.92896 3033.45752 3078.0 0.0003249 3008.95557 3037.12939 3095.0 0.0003231 3008.98389 3043.10962 3062.0 0.0003266 3009.01416 3053.96265 3124.0 0.0003201 3009.04614 3073.40186 3236.0 0.0003090 3009.08008 3106.68506 3125.0 0.0003200 3009.11572 3156.71191 3215.0 0.0003110 3009.15332 3222.31128 3350.0 0.0002985 3009.19287 3281.63232 3285.0 0.0003044 3009.23438 3300.49829 3275.0 0.0003053 3009.27783 3276.27588 3317.0 0.0003015 3009.32300 3247.94751 3239.0 0.0003087 3009.37036 3237.81348 3177.0 0.0003148 3009.41968 3237.86304 3268.0 0.0003060 3009.47119 3223.39136 3195.0 0.0003130 3009.52441 3191.88086 3132.0 0.0003193 3009.57983 3161.55762 3113.0 0.0003212 3009.63745 3137.20654 3103.0 0.0003223 3009.69702 3113.80225 3085.0 0.0003241 3009.75854 3089.68408 3115.0 0.0003210 3009.82251 3069.22827 3170.0 0.0003155 3009.88843 3055.05396 3076.0 0.0003251 3009.95654 3047.34375 3055.0 0.0003273 3010.02686 3045.33130 3140.0 0.0003185 3010.09912 3048.03516 3046.0 0.0003283 3010.17383 3054.04907 3044.0 0.0003285 3010.25073 3060.45728 3123.0 0.0003202 3010.33008 3064.66138 3039.0 0.0003291 3010.41138 3067.09863 3058.0 0.0003270 3010.49512 3070.77563 3113.0 0.0003212 3010.58105 3073.50244 3105.0 0.0003221 3010.66943 3072.99780 3072.0 0.0003255 3010.76025 3070.99585 3089.0 0.0003237 3010.85327 3068.31592 3056.0 0.0003272 3010.94849 3062.69238 3071.0 0.0003256 3011.04663 3054.43823 3045.0 0.0003284 3011.14673 3047.18555 3066.0 0.0003262 3011.24951 3042.51147 3037.0 0.0003293 3011.35449 3039.77588 3031.0 0.0003299 3011.46216 3038.68188 3077.0 0.0003250 3011.57251 3039.04126 3060.0 0.0003268 3011.68506 3043.64233 3118.0 0.0003207 3011.80029 3050.82104 3059.0 0.0003269 3011.91797 3058.46631 3012.0 0.0003320 3012.03833 3064.64233 3015.0 0.0003317 3012.16138 3069.39038 3056.0 0.0003272 3012.28687 3076.88867 3054.0 0.0003274 3012.41528 3091.04956 3130.0 0.0003195 3012.54614 3111.09595 3162.0 0.0003163 3012.67969 3126.68335 3130.0 0.0003195 3012.81592 3123.82764 3102.0 0.0003224 3012.95508 3104.72607 3047.0 0.0003282 3013.09668 3084.81250 3076.0 0.0003251 3013.24121 3073.02881 3113.0 0.0003212 3013.38843 3072.23291 3110.0 0.0003215 3013.53882 3083.49219 3180.0 0.0003145 3013.69165 3106.10522 3191.0 0.0003134 3013.84741 3135.34790 3093.0 0.0003233 3014.00610 3156.76855 3051.0 0.0003278 3014.16772 3154.17969 3099.0 0.0003227 3014.33228 3134.09204 3145.0 0.0003180 3014.49976 3113.95459 3146.0 0.0003179 3014.67041 3104.50977 3106.0 0.0003220 3014.84375 3090.28418 3171.0 0.0003154 3015.02002 3074.97559 3046.0 0.0003283 3015.19971 3061.75732 3022.0 0.0003309 3015.38208 3052.91235 3051.0 0.0003278 3015.56787 3047.95532 3055.0 0.0003273 3015.75635 3045.79150 3018.0 0.0003313 3015.94800 3045.91455 3081.0 0.0003246 3016.14307 3047.40698 3073.0 0.0003254 3016.34131 3050.91772 3058.0 0.0003270 3016.54272 3056.92969 3089.0 0.0003237 3016.74707 3066.63525 3032.0 0.0003298 3016.95483 3081.39453 3026.0 0.0003305 3017.16602 3101.09717 3054.0 0.0003274 3017.38013 3120.89893 3148.0 0.0003177 3017.59790 3131.68188 3108.0 0.0003218 3017.81885 3132.07593 3089.0 0.0003237 3018.04297 3132.24146 3071.0 0.0003256 3018.27100 3137.20239 3214.0 0.0003111 3018.50195 3141.18921 3135.0 0.0003190 3018.73657 3140.17261 3095.0 0.0003231 3018.97461 3137.78345 3036.0 0.0003294 3019.21582 3143.94580 3100.0 0.0003226 3019.46118 3158.73560 3121.0 0.0003204 3019.70947 3180.59082 3259.0 0.0003068 3019.96167 3211.03906 3267.0 0.0003061 3020.21729 3264.26489 3342.0 0.0002992 3020.47656 3364.22803 3489.0 0.0002866 3020.73950 3532.90137 3606.0 0.0002773 3021.00586 3774.22363 3773.0 0.0002650 3021.27612 4040.51123 3883.0 0.0002575 3021.55005 4192.45850 3992.0 0.0002505 3021.82764 4104.31055 3783.0 0.0002643 3022.10913 3863.88770 3545.0 0.0002821 3022.39429 3622.10620 3376.0 0.0002962 3022.68335 3442.04858 3335.0 0.0002999 3022.97607 3332.84131 3291.0 0.0003039 3023.27271 3277.55176 2402.0 . . . _pd_meas_number_of_points 4999 _pd_proc_number_of_points 4999 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 0 0 1 2 o 129.993 162.965 0.00 17.37296 18.14 0 0 2 2 o 152.732 187.518 180.00 8.68648 4.94 0 1 0 2 o 216.414 110.548 0.00 6.18332 4.59 1 0 0 2 o 236.233 289.650 180.00 6.05639 3.67 0 1 1 2 o 1686.307 2012.306 180.00 5.89304 26.68 1 1 0 2 o 323.243 341.518 0.00 5.87386 5.83 0 0 3 2 o 1415.720 1562.706 180.00 5.79099 21.86 0 1 -1 2 o 1781.902 1831.580 0.00 5.75995 27.47 1 0 -1 2 o 89.112 107.286 0.00 5.73398 1.32 1 0 1 2 o 1214.569 1271.404 180.00 5.70383 18.14 1 1 1 2 o 2214.786 2288.545 0.00 5.60905 32.21 1 1 -1 2 o 3164.438 3376.269 180.00 5.52084 44.70 0 1 2 2 o 821.304 527.203 0.00 5.12571 10.81 1 0 -2 2 o 5295.919 5828.420 0.00 4.98795 61.73 0 1 -2 2 o 5701.540 5916.066 0.00 4.95352 66.01 1 0 2 2 o 2128.969 2219.700 0.00 4.94842 24.93 1 1 2 2 o 4258.622 4359.195 0.00 4.92588 48.92 1 1 -2 2 o 79.426 6.316 0.00 4.80790 1.02 0 0 4 2 o 1225.453 1449.394 0.00 4.34324 10.90 0 1 3 2 o 1820.276 1956.406 0.00 4.30510 15.23 1 0 -3 2 o 1224.615 904.485 0.00 4.20337 10.11 1 1 3 2 o 1002.192 1089.427 180.00 4.17876 7.99 1 0 3 2 o 1723.702 1862.457 0.00 4.16791 13.38 0 1 -3 2 o 314.718 322.886 180.00 4.15251 2.49 1 1 -3 2 o 1197.526 1508.469 0.00 4.07102 8.87 1 0 0 1 o 242.703 244.316 180.00 3.91396 93.86 0 0 2 1 o 444.774 468.900 0.00 3.68002 100.00 0 1 4 2 o 5350.699 4934.685 0.00 3.61610 32.24 1 -1 0 2 o 5591.415 5442.196 0.00 3.58396 32.87 1 0 -4 2 o 9.279 12.757 180.00 3.54374 0.13 1 1 4 2 o 655.552 664.042 180.00 3.53669 3.46 1 -1 -1 2 o 1463.965 1478.623 0.00 3.52823 8.09 1 0 4 2 o 1895.984 1457.234 0.00 3.51539 10.93 0 1 -4 2 o 1814.070 1723.348 180.00 3.49516 9.67 1 -1 1 2 o 4.484 4.335 180.00 3.49215 0.03 0 0 5 2 o 1218.940 1228.294 0.00 3.47459 6.40 1 2 0 2 o 5677.766 5553.506 0.00 3.47075 31.04 1 0 1 1 o 91.733 90.909 180.00 3.45572 67.48 1 1 -4 2 o 5891.358 6008.285 0.00 3.44945 31.93 1 2 1 2 o 6.114 22.505 0.00 3.42709 0.03 2 1 0 2 o 10197.406 9528.241 0.00 3.40329 54.37 1 2 -1 2 o 1616.871 1516.970 0.00 3.38037 8.30 2 1 1 2 o 886.512 764.784 180.00 3.34636 4.42 1 -1 -2 2 o 10.147 6.970 0.00 3.34381 0.11 2 1 -1 2 o 282.871 228.877 0.00 3.33330 1.36 1 -1 2 2 o 258.199 174.238 180.00 3.28312 1.20 1 2 2 2 o 295.473 491.585 180.00 3.26342 1.22 1 2 -2 2 o -12.507 0.480 180.00 3.18405 0.00 2 1 2 2 o 2155.826 2107.970 180.00 3.17998 9.44 2 1 -2 2 o 2002.363 1687.145 180.00 3.15767 9.07 0 2 0 2 o 185.793 293.919 180.00 3.09166 0.69 1 -1 -3 2 o 8499.716 8482.792 180.00 3.08359 36.07 0 1 5 2 o 259.201 288.476 180.00 3.07698 1.04 0 2 1 2 o 2778.643 2684.333 0.00 3.06300 11.64 2 0 0 2 o 987.702 868.457 0.00 3.02819 4.06 1 1 5 2 o 10525.396 9537.856 0.00 3.02537 44.43 1 2 3 2 o 3294.618 3001.214 180.00 3.02505 13.44 0 2 -1 2 o 11032.709 10046.848 180.00 3.02503 45.18 1 0 -5 2 o 5064.763 4617.690 180.00 3.02492 20.60 1 -1 3 2 o 2567.757 2301.127 180.00 3.01273 10.49 1 0 5 2 o 4240.283 4123.512 180.00 3.00286 16.86 2 0 -1 2 o 2025.940 1555.330 0.00 2.98750 8.80 0 1 -5 2 o 99.313 76.668 0.00 2.98340 0.46 2 0 1 2 o 2539.835 2275.779 0.00 2.97894 9.78 1 1 -5 2 o 837.239 740.875 180.00 2.95690 3.27 2 1 3 2 o 10.151 8.557 0.00 2.94749 0.04 0 2 2 2 o 3236.174 2778.538 180.00 2.94652 13.63 2 2 0 2 o 693.164 553.933 180.00 2.93693 2.50 1 2 -3 2 o 2538.525 2084.930 0.00 2.93120 10.66 2 1 -3 2 o 406.399 503.569 180.00 2.92092 1.41 2 2 1 2 o 3185.247 2939.186 180.00 2.90835 11.93 0 0 6 2 o 103.232 160.197 180.00 2.89549 0.43 2 2 -1 2 o -0.103 1.948 180.00 2.88349 0.00 0 2 -2 2 o 6.906 7.154 180.00 2.87997 0.03 2 0 -2 2 o 698.061 800.010 180.00 2.86699 2.36 2 0 2 2 o -17.181 438.706 180.00 2.85192 0.00 2 2 2 2 o -0.169 55.060 0.00 2.80452 0.00 1 -1 -4 2 o 223.335 445.017 180.00 2.80026 0.74 0 2 3 2 o 343.708 280.404 0.00 2.76923 1.18 2 2 -2 2 o 2037.391 1967.529 0.00 2.76042 6.67 1 2 4 2 o 327.798 333.099 0.00 2.75988 1.06 1 -1 4 2 o 21.439 415.976 0.00 2.72974 0.00 2 0 -3 2 o 63.162 102.727 0.00 2.69285 0.19 2 1 4 2 o -8.242 1.095 0.00 2.69243 0.06 0 2 -3 2 o 889.106 788.774 0.00 2.68726 2.67 1 0 2 1 o 75.652 73.853 180.00 2.68106 34.60 2 0 3 2 o 747.191 608.706 180.00 2.67416 2.23 2 1 -4 2 o 2023.398 1954.088 180.00 2.66546 6.22 1 2 -4 2 o 427.831 414.043 180.00 2.66533 1.37 0 1 6 2 o 38.496 18.371 0.00 2.65941 0.27 2 2 3 2 o 138.894 28.359 180.00 2.64737 0.57 1 1 6 2 o 2485.235 2590.590 0.00 2.62442 7.31 1 0 -6 2 o 38.283 61.835 0.00 2.62096 0.11 1 0 6 2 o 1214.518 742.195 180.00 2.60372 3.47 2 2 -3 2 o 103.967 74.316 0.00 2.59216 0.29 0 1 -6 2 o 22.236 63.675 0.00 2.58656 0.07 1 1 -6 2 o 1816.225 1510.318 180.00 2.57061 4.99 0 2 4 2 o 80.450 319.418 180.00 2.56286 0.14 1 -1 -5 2 o 14.023 188.266 0.00 2.52770 0.00 1 2 5 2 o 1711.704 1515.186 0.00 2.50062 4.46 2 0 -4 2 o 1345.612 1302.268 0.00 2.49397 3.48 0 0 7 2 o 550.969 587.982 180.00 2.48185 1.37 0 2 -4 2 o 4197.235 3923.823 0.00 2.47676 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2 o 1181.519 1226.848 0.00 1.76838 1.44 2 2 8 2 o 1598.795 1663.913 0.00 1.76834 1.92 3 3 -4 2 o 107.015 115.037 180.00 1.76775 0.12 2 -2 -2 2 o 706.225 826.836 0.00 1.76412 0.89 2 0 8 2 o -26.199 5.804 0.00 1.75770 0.00 3 0 -5 2 o 49.761 198.603 0.00 1.75201 0.06 2 3 -6 2 o 56.282 28.686 0.00 1.74795 0.11 0 2 -8 2 o 725.252 512.283 0.00 1.74758 0.84 3 2 -6 2 o 2.873 0.102 0.00 1.74652 0.01 2 -2 2 2 o 133.814 99.362 0.00 1.74608 0.22 0 3 -5 2 o 649.945 568.647 0.00 1.74522 0.74 3 0 5 2 o 0.749 0.466 0.00 1.73916 0.00 0 0 10 2 o 2629.558 2140.031 0.00 1.73730 3.06 2 4 0 2 o 1194.309 1026.437 0.00 1.73537 1.37 1 -2 -7 2 o 594.667 630.898 180.00 1.73409 0.68 2 4 1 2 o 6.704 11.963 0.00 1.73291 0.01 2 0 2 1 o 16.079 14.202 180.00 1.72786 2.55 1 -3 0 2 o 95.738 105.833 180.00 1.72526 0.10 3 3 5 2 o 103.970 117.607 0.00 1.72515 0.11 2 2 -8 2 o 490.684 596.304 0.00 1.72472 0.56 2 -2 -3 2 o 4044.940 5006.827 180.00 1.72459 4.67 1 -3 -1 2 o 215.262 289.479 0.00 1.72236 0.26 2 4 -1 2 o 1044.574 1462.584 0.00 1.72071 1.17 1 3 7 2 o 1045.628 1803.464 180.00 1.71828 1.29 1 -1 -9 2 o 457.787 780.411 180.00 1.71823 0.55 2 -1 -7 2 o 51.284 91.413 0.00 1.71636 0.05 2 4 2 2 o 168.405 232.110 0.00 1.71355 0.28 1 2 9 2 o 631.875 763.465 0.00 1.71317 0.70 1 -3 1 2 o 1242.466 1386.486 180.00 1.71133 1.40 0 3 6 2 o 144.340 95.836 0.00 1.70857 0.16 3 -1 0 2 o 1631.321 1471.578 0.00 1.70294 1.81 1 -3 -2 2 o 3085.733 2794.058 0.00 1.70287 3.45 4 2 0 2 o 982.423 872.647 0.00 1.70164 1.15 2 -2 3 2 o 76.667 68.358 0.00 1.69948 0.08 3 -1 -1 2 o 253.902 335.529 0.00 1.69764 0.32 4 2 1 2 o 613.796 608.049 180.00 1.69525 0.65 1 4 0 2 o 25.972 25.524 0.00 1.69514 0.04 2 3 7 2 o 48.908 47.560 180.00 1.69440 0.07 1 4 1 2 o 204.662 182.844 0.00 1.69324 0.21 3 -1 1 2 o 347.333 375.927 0.00 1.69201 0.36 4 2 -1 2 o 630.500 697.950 0.00 1.69184 0.67 2 4 -2 2 o 508.385 617.480 0.00 1.69019 0.63 0 1 10 2 o 724.002 1040.942 180.00 1.68850 0.78 3 3 -5 2 o 4.273 6.950 180.00 1.68703 0.02 2 1 9 2 o 2640.788 2921.431 0.00 1.68657 2.87 2 -1 7 2 o 870.062 839.355 0.00 1.68218 0.92 1 -3 2 2 o 1218.108 1269.291 0.00 1.68174 1.33 1 -2 7 2 o 127.271 135.398 0.00 1.68156 0.13 1 -1 9 2 o 698.744 756.292 0.00 1.68137 0.73 1 4 -1 2 o 5508.506 6049.867 180.00 1.68109 6.02 2 4 3 2 o 51.968 59.252 180.00 1.67891 0.05 1 1 10 2 o 376.009 424.240 0.00 1.67792 0.43 3 -1 -2 2 o 10.042 7.708 0.00 1.67656 0.04 1 4 2 2 o 787.115 819.077 0.00 1.67554 0.83 1 0 -10 2 o 206.630 256.088 180.00 1.67371 0.20 4 2 2 2 o 3.587 6.586 0.00 1.67318 0.01 2 -2 -4 2 o 26.710 42.565 0.00 1.67190 0.06 2 1 -9 2 o 6.312 7.546 180.00 1.67163 0.01 3 1 7 2 o 1336.640 1415.600 0.00 1.66843 1.40 1 -3 -3 2 o 194.845 206.091 0.00 1.66843 0.20 3 2 7 2 o 85.240 82.639 180.00 1.66738 0.09 4 2 -2 2 o 578.241 606.972 0.00 1.66665 0.61 1 0 10 2 o 161.694 182.780 180.00 1.66621 0.16 3 -1 2 2 o 336.639 408.647 180.00 1.66576 0.35 1 0 4 1 o 0.509 0.630 180.00 1.66518 0.08 0 2 9 2 o 510.322 588.495 180.00 1.66464 0.51 3 0 -6 2 o 6.439 0.723 180.00 1.66265 0.03 3 1 -7 2 o 183.676 148.383 0.00 1.66230 0.19 1 2 -9 2 o 360.196 292.136 0.00 1.66194 0.39 0 1 -10 2 o 838.650 716.342 0.00 1.65701 0.94 4 1 0 2 o 928.047 856.417 0.00 1.65606 0.95 1 3 -7 2 o 562.708 511.067 0.00 1.65587 0.57 1 1 -10 2 o 267.667 245.017 0.00 1.65425 0.31 1 4 -2 2 o 444.012 607.214 0.00 1.65222 0.51 0 3 -6 2 o 193.087 227.524 180.00 1.65117 0.20 3 0 6 2 o 65.259 114.782 180.00 1.64947 0.06 4 1 1 2 o 2.463 4.472 0.00 1.64865 0.01 4 1 -1 2 o 1.303 1.558 180.00 1.64853 0.00 2 4 -3 2 o 1011.751 1078.845 180.00 1.64625 1.02 1 4 3 2 o 135.148 142.569 0.00 1.64347 0.16 3 4 0 2 o 264.302 300.664 180.00 1.64258 0.25 3 3 6 2 o 770.139 928.218 180.00 1.64196 0.77 2 -2 4 2 o 2748.856 3279.228 0.00 1.64156 2.83 3 -1 -3 2 o 73.633 85.899 180.00 1.64139 0.07 3 4 1 2 o 128.146 135.583 180.00 1.64014 0.13 3 2 -7 2 o 380.936 403.137 180.00 1.64008 0.37 2 3 -7 2 o 303.208 330.043 0.00 1.63942 0.36 1 -3 3 2 o 1358.639 1384.530 0.00 1.63886 1.37 4 2 3 2 o 52.308 48.816 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1.60477 0.58 4 3 2 2 o 1474.287 1078.870 0.00 1.60356 1.43 3 3 -6 2 o 1164.014 784.623 0.00 1.60263 1.12 1 4 4 2 o 52.459 4.880 0.00 1.59945 0.08 3 -1 -4 2 o 1506.578 1249.242 0.00 1.59473 1.45 2 2 -9 2 o 272.475 241.793 180.00 1.59410 0.25 3 4 3 2 o 907.624 871.518 0.00 1.59348 0.86 4 1 3 2 o 460.700 477.225 180.00 1.59241 0.42 4 3 -2 2 o 1926.487 1994.045 0.00 1.59234 1.90 4 1 -3 2 o 11.835 11.938 180.00 1.59206 0.01 2 4 -4 2 o 501.670 503.214 0.00 1.59202 0.52 4 2 4 2 o 1151.513 1022.298 0.00 1.58999 1.09 2 3 8 2 o 5.701 2.167 0.00 1.58847 0.02 1 -3 4 2 o 735.458 1191.773 0.00 1.58571 0.76 1 -1 -10 2 o 1763.649 1859.286 0.00 1.57949 1.66 0 0 11 2 o 12.055 12.640 180.00 1.57936 0.01 4 2 -4 2 o 75.867 72.458 180.00 1.57883 0.07 3 -1 4 2 o 10.868 9.783 180.00 1.57629 0.01 1 2 10 2 o 2358.011 2092.115 0.00 1.57624 2.23 2 -2 5 2 o 21.235 17.906 180.00 1.57606 0.03 2 4 5 2 o 629.037 566.980 0.00 1.57516 0.58 2 -1 8 2 o 651.045 705.291 0.00 1.57312 0.60 4 3 3 2 o 219.461 237.733 0.00 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89.380 0.00 1.49170 0.28 4 0 2 2 o 450.111 249.907 0.00 1.48947 0.37 2 3 9 2 o 1571.882 933.287 180.00 1.48915 1.31 1 4 6 2 o 116.990 57.715 0.00 1.48725 0.10 3 0 -8 2 o 6.355 2.201 0.00 1.48487 0.02 4 3 5 2 o 823.160 747.013 180.00 1.48356 0.67 0 4 -3 2 o 44.516 46.280 0.00 1.48026 0.05 2 1 0 1 o 37.786 39.318 180.00 1.47934 4.91 3 -1 -6 2 o 5.555 5.521 0.00 1.47899 0.01 2 2 -10 2 o 126.424 119.831 180.00 1.47845 0.10 4 2 6 2 o 67.746 53.538 180.00 1.47375 0.05 3 3 8 2 o 4.498 3.178 180.00 1.47344 0.01 0 4 4 2 o 1778.280 1472.470 0.00 1.47326 1.46 3 0 8 2 o 403.564 347.219 0.00 1.47237 0.33 2 -1 9 2 o 4.922 4.197 180.00 1.47217 0.00 2 -2 -7 2 o 418.830 399.266 0.00 1.47110 0.36 1 -2 9 2 o 727.813 589.610 180.00 1.47013 0.58 0 3 -8 2 o 701.368 572.937 180.00 1.46869 0.57 4 4 0 2 o 20.667 16.034 0.00 1.46847 0.02 3 2 9 2 o 545.159 425.023 180.00 1.46807 0.45 4 0 -3 2 o 591.610 454.875 0.00 1.46790 0.47 3 4 -5 2 o 1405.540 951.229 180.00 1.46725 1.13 3 1 9 2 o 55.651 32.175 180.00 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0.07 1 -3 -7 2 o 464.465 372.172 0.00 1.43881 0.35 2 1 11 2 o 1387.340 1277.302 180.00 1.43832 1.09 4 1 6 2 o 3020.776 3019.850 0.00 1.43780 2.43 4 1 -6 2 o 3.617 3.578 0.00 1.43729 0.00 3 3 -8 2 o 21.365 23.502 180.00 1.43564 0.02 2 -2 7 2 o 75.418 77.091 180.00 1.43527 0.06 0 3 9 2 o 726.188 732.972 0.00 1.43503 0.58 4 0 -4 2 o 348.261 354.065 0.00 1.43349 0.27 4 4 3 2 o 61.300 81.638 180.00 1.43236 0.04 0 4 5 2 o 9.862 11.713 180.00 1.43171 0.01 1 -1 11 2 o 181.951 220.779 180.00 1.43160 0.14 4 3 6 2 o 139.098 110.391 0.00 1.42942 0.11 0 2 11 2 o 43.136 27.690 0.00 1.42753 0.03 2 -3 0 2 o 335.247 248.201 0.00 1.42704 0.26 2 1 -11 2 o 729.845 545.880 0.00 1.42697 0.56 1 1 4 1 o 0.134 0.100 0.00 1.42683 0.01 4 0 4 2 o 231.039 182.268 0.00 1.42596 0.22 2 -3 -1 2 o 13.548 11.909 180.00 1.42563 0.01 1 4 7 2 o 282.893 352.172 180.00 1.42474 0.27 0 1 12 2 o 94.948 59.655 180.00 1.42107 0.07 3 -2 0 2 o 77.180 75.177 180.00 1.41906 0.05 2 -3 1 2 o 1310.828 1349.801 0.00 1.41889 0.99 1 2 -11 2 o 395.355 434.213 0.00 1.41855 0.30 1 -2 -10 2 o 77.806 86.525 0.00 1.41847 0.06 3 -2 -1 2 o 641.591 743.027 180.00 1.41694 0.48 3 -1 -7 2 o 60.628 73.691 180.00 1.41552 0.04 2 -3 -2 2 o 1149.565 1185.596 180.00 1.41474 0.86 4 4 -3 2 o 2.479 2.493 0.00 1.41464 0.00 1 1 12 2 o 271.633 252.580 0.00 1.41429 0.20 3 -2 1 2 o 1.432 1.427 0.00 1.41176 0.00 1 3 10 2 o 109.043 86.352 0.00 1.41125 0.11 1 0 -12 2 o 2035.259 1594.574 0.00 1.41078 1.54 4 2 7 2 o 498.211 323.378 180.00 1.41028 0.38 3 4 -6 2 o 39.953 20.687 0.00 1.40976 0.03 2 -1 -10 2 o 87.370 18.660 0.00 1.40657 0.09 2 2 11 2 o 3.660 0.000 180.00 1.40639 0.00 4 3 -6 2 o 612.959 331.016 0.00 1.40592 0.51 3 -2 -2 2 o 1313.244 884.034 0.00 1.40554 1.00 1 0 12 2 o 702.393 484.530 0.00 1.40538 0.53 2 0 -11 2 o 22.075 13.883 180.00 1.40524 0.02 4 4 4 2 o 54.088 79.533 0.00 1.40226 0.05 2 -3 2 2 o 216.835 180.402 0.00 1.40167 0.17 3 0 -9 2 o 2.064 0.681 180.00 1.40112 0.01 2 -2 -8 2 o 6.678 2.726 180.00 1.40013 0.01 2 4 -7 2 o 361.887 310.412 180.00 1.39892 0.27 0 1 -12 2 o 2246.456 2147.011 0.00 1.39845 1.70 2 3 10 2 o 248.197 283.927 0.00 1.39727 0.19 1 1 -12 2 o 149.152 174.849 0.00 1.39723 0.13 4 2 -7 2 o 498.814 622.592 0.00 1.39671 0.37 2 0 11 2 o 0.041 5.163 180.00 1.39550 0.01 3 -2 2 2 o 7.601 11.500 0.00 1.39549 0.01 1 -3 7 2 o 886.135 1126.994 0.00 1.39540 0.66 2 -3 -3 2 o 1196.597 1665.060 180.00 1.39503 0.94 0 4 -5 2 o 233.748 339.995 180.00 1.39377 0.18 3 -1 7 2 o -0.624 0.058 0.00 1.39310 0.00 3 3 9 2 o 266.184 327.150 0.00 1.39292 0.19 4 0 -5 2 o 834.197 879.760 180.00 1.39236 0.61 3 4 7 2 o 149.408 96.041 180.00 1.39007 0.14 3 0 9 2 o 1919.108 1609.705 0.00 1.38930 1.41 2 5 0 2 o 498.327 394.093 180.00 1.38864 0.36 2 5 1 2 o 300.513 222.890 180.00 1.38828 0.22 0 2 -11 2 o 618.630 469.035 180.00 1.38631 0.45 3 -2 -3 2 o 50.232 46.581 0.00 1.38552 0.04 0 4 6 2 o 23.221 43.079 0.00 1.38461 0.04 0 3 -9 2 o 0.912 5.621 0.00 1.38417 0.00 4 0 5 2 o 12.294 47.633 180.00 1.38374 0.01 4 4 -4 2 o 191.957 169.354 0.00 1.38021 0.14 2 5 -1 2 o 34.298 29.339 180.00 1.38021 0.03 2 4 8 2 o 46.274 43.623 0.00 1.37994 0.04 2 -1 10 2 o 1367.767 1361.382 180.00 1.37967 0.98 2 5 2 2 o 85.337 87.405 0.00 1.37914 0.06 3 2 10 2 o 594.297 636.243 0.00 1.37872 0.43 4 1 7 2 o 0.022 1.329 0.00 1.37780 0.01 1 0 5 1 o 63.377 73.597 180.00 1.37779 7.83 1 -2 10 2 o 369.548 409.518 0.00 1.37732 0.28 4 1 -7 2 o 2103.017 2319.204 180.00 1.37729 1.53 3 1 10 2 o 11.689 16.449 0.00 1.37667 0.03 2 -3 3 2 o 13.001 17.639 180.00 1.37634 0.01 1 4 -7 2 o 63.959 91.550 0.00 1.37611 0.05 2 2 -11 2 o 419.108 600.193 0.00 1.37608 0.32 1 -3 -8 2 o 8.305 10.068 0.00 1.37287 0.01 2 1 2 1 o 11.610 14.214 180.00 1.37259 2.29 4 3 7 2 o 874.048 1076.693 0.00 1.37216 0.62 3 1 -10 2 o -1.452 1.391 180.00 1.37175 0.01 3 -2 3 2 o 86.730 121.940 180.00 1.37115 0.08 3 5 0 2 o 179.083 209.683 0.00 1.37008 0.13 3 5 1 2 o 1099.262 1306.400 0.00 1.36953 0.78 2 -3 -4 2 o 1844.283 2280.506 0.00 1.36755 1.34 4 4 5 2 o 1311.038 1610.231 0.00 1.36547 0.94 2 -2 8 2 o 431.842 484.254 0.00 1.36487 0.32 2 5 -2 2 o 2686.780 2812.820 0.00 1.36345 1.94 3 5 -1 2 o 2199.962 2855.366 180.00 1.36219 1.60 1 3 -10 2 o 26.054 40.667 0.00 1.36176 0.03 2 5 3 2 o 590.017 793.666 0.00 1.36174 0.41 1 4 8 2 o 43.039 59.089 180.00 1.36107 0.03 3 5 2 2 o 15.933 21.363 0.00 1.36055 0.01 5 2 0 2 o 224.389 208.682 180.00 1.35850 0.16 3 -2 -4 2 o 0.141 0.032 0.00 1.35795 0.00 3 3 -9 2 o 617.594 483.353 180.00 1.35701 0.44 3 2 -10 2 o 16.992 12.696 180.00 1.35665 0.02 1 -4 0 2 o 116.588 98.581 0.00 1.35646 0.08 1 -4 -1 2 o 1369.921 1218.968 0.00 1.35589 0.97 5 2 1 2 o 313.355 325.219 0.00 1.35504 0.22 1 -1 -12 2 o 788.131 840.100 180.00 1.35464 0.56 5 2 -1 2 o 590.247 603.003 180.00 1.35370 0.41 1 2 12 2 o 1140.208 1127.154 180.00 1.35345 0.79 2 3 -10 2 o 200.925 185.767 0.00 1.35317 0.15 0 3 10 2 o 8.695 2.980 180.00 1.35268 0.02 3 -1 -8 2 o 58.415 32.455 0.00 1.35133 0.05 3 4 -7 2 o -7.236 2.589 0.00 1.35031 0.00 1 -4 1 2 o 77.047 79.730 0.00 1.34883 0.07 4 3 -7 2 o 51.967 22.432 180.00 1.34796 0.04 5 3 0 2 o 34.764 7.603 180.00 1.34784 0.04 1 -4 -2 2 o 7.660 4.415 0.00 1.34714 0.01 4 0 -6 2 o 1031.096 1122.059 180.00 1.34642 0.72 3 5 -2 2 o 255.698 296.259 180.00 1.34627 0.17 4 2 8 2 o 1286.354 1536.369 0.00 1.34621 0.91 5 3 1 2 o 161.545 239.113 0.00 1.34528 0.11 2 -3 4 2 o 222.133 370.799 0.00 1.34421 0.19 3 5 3 2 o 118.501 207.607 0.00 1.34364 0.12 0 4 -6 2 o 174.389 261.470 0.00 1.34363 0.11 5 2 2 2 o -3.463 3.177 180.00 1.34350 0.01 5 3 -1 2 o 396.767 630.199 0.00 1.34234 0.29 5 2 -2 2 o 245.864 427.749 180.00 1.34088 0.18 2 0 4 1 o 0.115 0.167 0.00 1.34053 0.01 4 4 -5 2 o 416.887 535.965 0.00 1.34013 0.28 3 -2 4 2 o 440.383 567.063 180.00 1.33999 0.30 2 5 -3 2 o 84.871 133.532 180.00 1.33926 0.07 1 5 0 2 o 95.818 142.610 0.00 1.33754 0.06 1 5 1 2 o 2.650 4.235 180.00 1.33741 0.00 2 1 12 2 o 74.114 76.987 0.00 1.33722 0.08 4 0 6 2 o 42.901 39.110 0.00 1.33708 0.03 2 5 4 2 o 12.959 11.166 0.00 1.33699 0.01 0 0 13 2 o 645.546 619.765 180.00 1.33638 0.45 4 -1 0 2 o 77.640 89.241 0.00 1.33619 0.07 5 3 2 2 o 145.595 165.555 180.00 1.33478 0.09 0 4 7 2 o 48.026 42.155 0.00 1.33394 0.04 4 -1 -1 2 o 267.519 236.581 0.00 1.33381 0.18 2 -3 -5 2 o 13.671 11.853 0.00 1.33371 0.01 1 -4 2 2 o 2.204 0.012 0.00 1.33340 0.01 4 2 -8 2 o 251.751 230.189 0.00 1.33273 0.20 2 4 -8 2 o 13.701 10.629 0.00 1.33267 0.02 4 -1 1 2 o 4.466 4.069 180.00 1.33070 0.01 1 -4 -3 2 o 473.694 462.108 180.00 1.33068 0.32 2 -2 -9 2 o 1099.415 1078.834 0.00 1.33066 0.83 1 -1 12 2 o 363.255 382.251 0.00 1.33042 0.31 3 4 8 2 o 641.821 674.374 0.00 1.33037 0.44 1 -2 -11 2 o 207.120 218.768 180.00 1.33029 0.14 1 -3 8 2 o 805.518 853.857 0.00 1.32985 0.55 1 5 -1 2 o 527.534 561.283 180.00 1.32981 0.39 0 2 12 2 o 989.359 1044.409 0.00 1.32971 0.68 1 5 2 2 o 12.854 14.590 0.00 1.32942 0.02 3 -1 8 2 o 200.339 212.240 180.00 1.32906 0.13 5 3 -2 2 o 0.125 0.942 0.00 1.32905 0.01 2 1 -12 2 o 221.637 269.020 180.00 1.32727 0.15 1 3 11 2 o 894.465 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