#------------------------------------------------------------------------------ #$Date: 2012-02-24 10:01:01 +0200 (Fri, 24 Feb 2012) $ #$Revision: 34320 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/4/31/32/4313215.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4313215 loop_ _publ_author_name 'Patrick M. Woodward' 'Pavel Karen' _publ_section_title ; Mixed Valence in YBaFe2O5 ; _journal_name_full 'Inorganic Chemistry' _journal_page_first 1121 _journal_page_last 1129 _journal_volume 42 _journal_year 2003 _pd_block_id |POWSET_01|| #_pd_meas_datetime_initiated ? #_pd_meas_info_author_name ? #_pd_meas_info_author_email ? #_pd_meas_info_author_address ? #_pd_meas_info_author_telephone ? #_diffrn_ambient_temperature ? #_diffrn_ambient_environment ? #_diffrn_ambient_pressure ? #_diffrn_radiation_source ? #_diffrn_radiation_detector ? loop_ _pd_phase_id _pd_phase_block_id 1 |PHASE_1|| 2 |PHASE_2|| 3 |PHASE_3|| 4 |PHASE_4|| _pd_instr_radiation_probe neutron _diffrn_radiation_polarisn_ratio 0.0 _diffrn_radiation_wavelength 2.0783 #_diffrn_radiation_type ? _pd_proc_ls_prof_R_factor 0.0574 _pd_proc_ls_prof_wR_factor 0.0748 _pd_proc_ls_prof_wR_expected 0.0696 _pd_proc_info_datetime "Sep 03 13:20:03 2002" _pd_calc_method "Rietveld Refinement" _pd_meas_2theta_range_min 3.0 _pd_meas_2theta_range_max 134.95 _pd_meas_2theta_range_inc 0.05 _pd_proc_2theta_range_min 3.0876 _pd_proc_2theta_range_max 135.0376 _pd_proc_2theta_range_inc 0.05 loop_ _pd_meas_intensity_total _pd_proc_ls_weight _pd_proc_intensity_calc_bkg _pd_calc_intensity_total 187(21) 0.0 96.2 ? 130(17) 0.0 96.2 ? 152(18) 0.0 96.1 ? 125(16) 0.0 96.1 ? 130(17) 0.0 96.1 ? 146(18) 0.0 96.0 ? 160(19) 0.0 96.0 ? 127(16) 0.0 95.9 ? 111(15) 0.0 95.9 ? 141(17) 0.0 95.8 ? 157(19) 0.0 95.8 ? 133(17) 0.0 95.7 ? 130(17) 0.0 95.7 ? 119(16) 0.0 95.7 ? 117(16) 0.0 95.6 ? 127(16) 0.0 95.6 ? 157(19) 0.0 95.5 ? 122(16) 0.0 95.5 ? 130(17) 0.0 95.4 ? 136(17) 0.0 95.4 ? 165(19) 0.0 95.3 ? 119(16) 0.0 95.3 ? 125(16) 0.0 95.3 ? 136(17) 0.0 95.2 ? 106(15) 0.0 95.2 ? 163(19) 0.0 95.1 ? 127(16) 0.0 95.1 ? 146(18) 0.0 95.0 ? 154(19) 0.0 95.0 ? 127(16) 0.0 95.0 ? 160(19) 0.0 94.9 ? 152(18) 0.0 94.9 ? 114(15) 0.0 94.8 ? 168(19) 0.0 94.8 ? 130(17) 0.0 94.7 ? 133(17) 0.0 94.7 ? 122(16) 0.0 94.6 ? 103(14) 0.0 94.6 ? 160(19) 0.0 94.6 ? 136(17) 0.0 94.5 ? 98(14) 0.0 94.5 ? 119(16) 0.0 94.4 ? 130(17) 0.0 94.4 ? 130(17) 0.0 94.3 ? 106(15) 0.0 94.3 ? 138(17) 0.0 94.3 ? 106(15) 0.0 94.2 ? 144(18) 0.0 94.2 ? 119(16) 0.0 94.1 ? 117(16) 0.0 94.1 ? 90(13) 0.0 94.0 ? 100(14) 0.0 94.0 ? 100(14) 0.0 94.0 ? 117(16) 0.0 93.9 ? 130(17) 0.0 93.9 ? 90(13) 0.0 93.8 ? 146(18) 0.0 93.8 ? 130(17) 0.0 93.7 ? 122(16) 0.0 93.7 ? 117(16) 0.0 93.7 ? 87(13) 0.0 93.6 ? 144(18) 0.0 93.6 ? 109(15) 0.0 93.5 ? 136(17) 0.0 93.5 ? 125(16) 0.0 93.4 ? 106(15) 0.0 93.4 ? 111(15) 0.0 93.4 ? 119(16) 0.0 93.3 ? 136(17) 0.0 93.3 ? 125(16) 0.0 93.2 ? 114(15) 0.0 93.2 ? 127(16) 0.0 93.1 ? 109(15) 0.0 93.1 ? 82(12) 0.0 93.1 ? 95(13) 0.0 93.0 ? 119(16) 0.0 93.0 ? 122(16) 0.0 92.9 ? 117(16) 0.0 92.9 ? 122(16) 0.0 92.8 ? 98(14) 0.0 92.8 ? 122(16) 0.0 92.8 ? 125(16) 0.0 92.7 ? 100(14) 0.0 92.7 ? 114(15) 0.0 92.6 ? 111(15) 0.0 92.6 ? 114(15) 0.0 92.5 ? 109(15) 0.0 92.5 ? 90(13) 0.0 92.5 ? 144(18) 0.0 92.4 ? 111(15) 0.0 92.4 ? 106(15) 0.0 92.3 ? 109(15) 0.0 92.3 ? 84(12) 0.0 92.2 ? 109(15) 0.0 92.2 ? 109(15) 0.0 92.2 ? 106(15) 0.0 92.1 ? 92(13) 0.0 92.1 ? 103(14) 0.0 92.0 ? 122(16) 0.0 92.0 ? 73(11) 0.0 92.0 ? 114(11) 0.0 91.9 ? 83(8) 0.01563 91.9 91.9 85(9) 0.01235 91.8 91.8 96(9) 0.01235 91.8 91.8 95(9) 0.01235 91.7 91.7 112(10) 0.01000 91.7 91.7 104(10) 0.01000 91.7 91.7 103(10) 0.01000 91.6 91.6 88(9) 0.01235 91.6 91.6 113(11) 0.00826 91.5 91.5 101(10) 0.01000 91.5 91.5 111(10) 0.01000 91.5 91.5 103(10) 0.01000 91.4 91.4 101(10) 0.01000 91.4 91.4 98(10) 0.01000 91.3 91.3 91(9) 0.01235 91.3 91.3 96(9) 0.01235 91.2 91.2 88(9) 0.01235 91.2 91.2 96(9) 0.01235 91.2 91.2 98(10) 0.01000 91.1 91.1 100(10) 0.01000 91.1 91.1 96(9) 0.01235 91.0 91.0 96(9) 0.01235 91.0 91.0 102(10) 0.01000 91.0 91.0 89(9) 0.01235 90.9 90.9 90(9) 0.01235 90.9 90.9 91(9) 0.01235 90.8 90.8 95(9) 0.01235 90.8 90.8 113(10) 0.01000 90.8 90.8 108(10) 0.01000 90.7 90.7 85(9) 0.01235 90.7 90.7 97(9) 0.01235 90.6 90.6 94(9) 0.01235 90.6 90.6 100(10) 0.01000 90.5 90.5 102(10) 0.01000 90.5 90.5 89(9) 0.01235 90.5 90.5 103(10) 0.01000 90.4 90.4 106(10) 0.01000 90.4 90.4 93(9) 0.01235 90.3 90.3 100(10) 0.01000 90.3 90.3 95(9) 0.01235 90.3 90.3 97(9) 0.01235 90.2 90.2 101(10) 0.01000 90.2 90.2 104(10) 0.01000 90.1 90.1 89(9) 0.01235 90.1 90.1 101(10) 0.01000 90.1 90.1 85(9) 0.01235 90.0 90.0 101(10) 0.01000 90.0 90.0 96(9) 0.01235 89.9 89.9 99(10) 0.01000 89.9 89.9 92(9) 0.01235 89.9 89.9 97(9) 0.01235 89.8 89.8 103(10) 0.01000 89.8 89.8 104(10) 0.01000 89.7 89.7 94(9) 0.01235 89.7 89.7 76(8) 0.01563 89.7 89.7 96(9) 0.01235 89.6 89.6 106(10) 0.01000 89.6 89.6 96(9) 0.01235 89.5 89.5 112(10) 0.01000 89.5 89.5 90(9) 0.01235 89.5 89.5 67(7) 0.02041 89.4 89.4 92(9) 0.01235 89.4 89.4 94(9) 0.01235 89.3 89.3 97(9) 0.01235 89.3 89.3 93(9) 0.01235 89.3 89.3 90(12) 0.00694 89.2 89.2 98(13) 0.00592 89.2 89.2 91(12) 0.00694 89.1 89.1 80(11) 0.00826 89.1 89.1 97(13) 0.00592 89.1 89.1 90(12) 0.00694 89.0 89.0 100(13) 0.00592 89.0 89.0 94(13) 0.00592 88.9 88.9 89(12) 0.00694 88.9 88.9 88(12) 0.00694 88.9 88.9 88(12) 0.00694 88.8 88.8 85(12) 0.00694 88.8 88.8 93(13) 0.00592 88.7 88.7 88(12) 0.00694 88.7 88.7 98(13) 0.00592 88.7 88.7 85(12) 0.00694 88.6 88.6 98(13) 0.00592 88.6 88.6 100(13) 0.00592 88.5 88.5 86(12) 0.00694 88.5 88.5 90(12) 0.00694 88.5 88.5 92(13) 0.00592 88.4 88.4 89(12) 0.00694 88.4 88.4 87(12) 0.00694 88.3 88.3 92(13) 0.00592 88.3 88.3 81(11) 0.00826 88.3 88.3 76(11) 0.00826 88.2 88.2 84(12) 0.00694 88.2 88.2 100(13) 0.00592 88.1 88.1 99(13) 0.00592 88.1 88.1 85(12) 0.00694 88.1 88.1 104(14) 0.00510 88.0 88.0 90(12) 0.00694 88.0 88.0 82(12) 0.00694 87.9 87.9 92(13) 0.00592 87.9 87.9 84(9) 0.01235 87.9 87.9 76(8) 0.01563 87.8 87.8 86(9) 0.01235 87.8 87.8 79(9) 0.01235 87.8 87.8 83(9) 0.01235 87.7 87.7 88(9) 0.01235 87.7 87.7 96(10) 0.01000 87.6 87.6 87(9) 0.01235 87.6 87.6 92(10) 0.01000 87.6 87.6 88(9) 0.01235 87.5 87.5 82(9) 0.01235 87.5 87.5 85(9) 0.01235 87.4 87.4 83(9) 0.01235 87.4 87.4 74(8) 0.01563 87.4 87.4 84(9) 0.01235 87.3 87.3 85(9) 0.01235 87.3 87.3 86(9) 0.01235 87.2 87.2 88(9) 0.01235 87.2 87.2 73(8) 0.01563 87.2 87.2 72(8) 0.01563 87.1 87.1 74(8) 0.01563 87.1 87.1 77(8) 0.01563 87.1 87.1 82(9) 0.01235 87.0 87.0 91(9) 0.01235 87.0 87.0 93(10) 0.01000 86.9 86.9 89(9) 0.01235 86.9 86.9 98(10) 0.01000 86.9 86.9 85(9) 0.01235 86.8 86.8 91(9) 0.01235 86.8 86.8 92(10) 0.01000 86.7 86.7 91(9) 0.01235 86.7 86.7 97(10) 0.01000 86.7 86.7 88(9) 0.01235 86.6 86.7 104(10) 0.01000 86.6 86.7 96(10) 0.01000 86.6 86.7 96(10) 0.01000 86.5 86.7 89(9) 0.01235 86.5 86.8 96(10) 0.01000 86.4 87.1 89(9) 0.01235 86.4 87.9 88(9) 0.01235 86.4 89.1 80(9) 0.01235 86.3 90.7 90(9) 0.01235 86.3 92.1 95(10) 0.01000 86.3 92.6 96(10) 0.01000 86.2 94.1 93(10) 0.01000 86.2 93.0 102(10) 0.01000 86.1 92.1 113(11) 0.00826 86.1 92.1 119(11) 0.00826 86.1 94.3 111(11) 0.00826 86.0 101.6 133(12) 0.00694 86.0 120.0 180(14) 0.00510 86.0 157.6 242(17) 0.003460 85.9 219.5 295(19) 0.002770 85.9 297.2 362(21) 0.002268 85.8 364.7 351(21) 0.002268 85.8 387.4 319(20) 0.002500 85.8 350.7 257(18) 0.003086 85.7 277.2 162(14) 0.00510 85.7 201.6 118(11) 0.00826 85.7 145.6 95(10) 0.01000 85.6 113.3 88(9) 0.01235 85.6 98.2 92(10) 0.01000 85.5 92.2 88(9) 0.01235 85.5 89.8 75(8) 0.01563 85.5 88.7 79(9) 0.01235 85.4 88.0 88(9) 0.01235 85.4 85.4 83(14) 0.00510 85.4 85.4 85(10) 0.01000 85.3 85.3 93(10) 0.01000 85.3 85.3 86(10) 0.01000 85.2 85.2 76(9) 0.01235 85.2 85.2 79(9) 0.01235 85.2 85.2 89(10) 0.01000 85.1 85.1 82(9) 0.01235 85.1 85.1 70(8) 0.01563 85.1 85.1 95(10) 0.01000 85.0 85.0 86(10) 0.01000 85.0 85.0 87(10) 0.01000 84.9 84.9 97(10) 0.01000 84.9 84.9 85(10) 0.01000 84.9 84.9 81(9) 0.01235 84.8 84.8 89(10) 0.01000 84.8 84.8 72(9) 0.01235 84.8 84.8 69(8) 0.01563 84.7 84.7 61(8) 0.01563 84.7 84.7 77(9) 0.01235 84.6 84.6 83(9) 0.01235 84.6 84.6 81(9) 0.01235 84.6 84.6 69(8) 0.01563 84.5 84.5 90(10) 0.01000 84.5 84.5 103(11) 0.00826 84.5 84.5 85(9) 0.01235 84.4 84.4 94(10) 0.01000 84.4 84.4 75(9) 0.01235 84.4 84.4 72(9) 0.01235 84.3 84.3 81(9) 0.01235 84.3 84.3 84(9) 0.01235 84.2 84.2 108(11) 0.00826 84.2 84.2 79(9) 0.01235 84.2 84.2 89(10) 0.01000 84.1 84.1 67(8) 0.01563 84.1 84.1 72(9) 0.01235 84.1 84.1 82(9) 0.01235 84.0 84.0 86(10) 0.01000 84.0 84.0 91(10) 0.01000 84.0 84.0 86(10) 0.01000 83.9 83.9 87(10) 0.01000 83.9 83.9 91(10) 0.01000 83.8 83.8 79(9) 0.01235 83.8 83.8 79(9) 0.01235 83.8 83.8 75(9) 0.01235 83.7 83.7 86(10) 0.01000 83.7 83.7 83(9) 0.01235 83.7 83.7 86(10) 0.01000 83.6 83.6 83(9) 0.01235 83.6 83.6 81(9) 0.01235 83.6 83.6 93(10) 0.01000 83.5 83.5 77(9) 0.01235 83.5 83.5 77(9) 0.01235 83.5 83.5 74(9) 0.01235 83.4 83.4 84(9) 0.01235 83.4 83.4 85(9) 0.01235 83.3 83.3 94(10) 0.01000 83.3 83.3 90(10) 0.01000 83.3 83.3 85(9) 0.01235 83.2 83.2 75(9) 0.01235 83.2 83.2 75(9) 0.01235 83.2 83.2 93(10) 0.01000 83.1 83.1 94(10) 0.01000 83.1 83.1 87(10) 0.01000 83.1 83.1 77(9) 0.01235 83.0 83.0 76(9) 0.01235 83.0 83.0 80(9) 0.01235 83.0 83.0 79(9) 0.01235 82.9 82.9 95(10) 0.01000 82.9 82.9 82(9) 0.01235 82.8 82.8 63(8) 0.01563 82.8 82.8 74(9) 0.01235 82.8 82.8 72(9) 0.01235 82.7 82.7 77(9) 0.01235 82.7 82.7 69(8) 0.01563 82.7 82.7 73(9) 0.01235 82.6 82.6 86(10) 0.01000 82.6 82.6 86(10) 0.01000 82.6 82.6 88(10) 0.01000 82.5 82.5 87(10) 0.01000 82.5 82.5 89(10) 0.01000 82.5 82.5 91(10) 0.01000 82.4 82.4 84(9) 0.01235 82.4 82.4 78(9) 0.01235 82.4 82.4 78(9) 0.01235 82.3 82.3 80(9) 0.01235 82.3 82.3 76(9) 0.01235 82.2 82.2 90(10) 0.01000 82.2 82.2 76(9) 0.01235 82.2 82.2 67(8) 0.01563 82.1 82.1 66(8) 0.01563 82.1 82.1 90(10) 0.01000 82.1 82.1 75(9) 0.01235 82.0 82.0 73(9) 0.01235 82.0 82.0 78(9) 0.01235 82.0 82.0 80(9) 0.01235 81.9 81.9 81(9) 0.01235 81.9 81.9 86(10) 0.01000 81.9 81.9 91(10) 0.01000 81.8 81.8 72(9) 0.01235 81.8 81.8 87(9) 0.01235 81.8 81.8 97(10) 0.01000 81.7 81.7 84(9) 0.01235 81.7 81.7 99(10) 0.01000 81.7 81.7 89(9) 0.01235 81.6 81.6 66(8) 0.01563 81.6 81.6 75(8) 0.01563 81.6 81.6 76(8) 0.01563 81.5 81.5 80(9) 0.01235 81.5 81.5 84(9) 0.01235 81.5 81.5 72(8) 0.01563 81.4 81.4 92(9) 0.01235 81.4 81.4 79(9) 0.01235 81.3 81.4 90(9) 0.01235 81.3 81.3 89(9) 0.01235 81.3 81.3 72(8) 0.01563 81.2 81.3 76(8) 0.01563 81.2 81.2 90(9) 0.01235 81.2 81.2 79(9) 0.01235 81.1 81.1 62(7) 0.02041 81.1 81.1 72(8) 0.01563 81.1 81.1 74(8) 0.01563 81.0 81.0 83(9) 0.01235 81.0 81.0 81(9) 0.01235 81.0 81.0 86(9) 0.01235 80.9 88.8 91(9) 0.01235 80.9 92.0 115(11) 0.00826 80.9 99.9 160(13) 0.00592 80.8 121.3 191(14) 0.00510 80.8 172.5 278(18) 0.003086 80.8 273.1 412(22) 0.002066 80.7 426.4 533(25) 0.001600 80.7 596.3 649(27) 0.001372 80.7 705.9 666(28) 0.001276 80.6 685.3 597(26) 0.001479 80.6 549.0 391(21) 0.002268 80.6 377.4 211(15) 0.00444 80.5 237.7 151(12) 0.00694 80.5 153.0 88(9) 0.01235 80.5 112.5 79(9) 0.01235 80.4 96.3 79(9) 0.01235 80.4 80.4 66(8) 0.01563 80.4 80.4 65(8) 0.01563 80.3 80.3 73(8) 0.01563 80.3 80.3 84(9) 0.01235 80.3 80.3 95(10) 0.01000 80.2 80.2 88(9) 0.01235 80.2 80.2 66(8) 0.01563 80.2 80.2 71(8) 0.01563 80.1 80.1 69(8) 0.01563 80.1 80.1 63(7) 0.02041 80.1 80.1 79(9) 0.01235 80.0 80.0 81(9) 0.01235 80.0 80.0 85(9) 0.01235 80.0 80.0 77(8) 0.01563 79.9 79.9 85(9) 0.01235 79.9 79.9 70(8) 0.01563 79.9 79.9 78(9) 0.01235 79.8 79.8 81(9) 0.01235 79.8 79.8 70(8) 0.01563 79.8 79.8 76(8) 0.01563 79.7 79.7 77(8) 0.01563 79.7 79.7 76(8) 0.01563 79.7 79.7 82(9) 0.01235 79.6 79.6 72(8) 0.01563 79.6 79.6 68(8) 0.01563 79.6 79.6 76(8) 0.01563 79.5 79.5 70(8) 0.01563 79.5 79.5 73(8) 0.01563 79.5 79.5 83(9) 0.01235 79.4 79.4 65(7) 0.02041 79.4 79.4 73(8) 0.01563 79.4 79.4 62(7) 0.02041 79.3 79.3 87(9) 0.01235 79.3 79.3 79(9) 0.01235 79.3 79.3 82(9) 0.01235 79.2 79.2 88(9) 0.01235 79.2 79.2 70(8) 0.01563 79.2 79.2 62(7) 0.02041 79.1 79.1 70(8) 0.01563 79.1 79.1 73(8) 0.01563 79.1 79.1 81(9) 0.01235 79.0 79.0 94(10) 0.01000 79.0 79.0 90(9) 0.01235 79.0 79.0 81(9) 0.01235 79.0 78.9 98(10) 0.01000 78.9 78.9 82(9) 0.01235 78.9 78.9 86(9) 0.01235 78.9 78.9 69(8) 0.01563 78.8 78.8 78(9) 0.01235 78.8 78.8 71(8) 0.01563 78.8 78.8 76(8) 0.01563 78.7 78.7 70(8) 0.01563 78.7 78.7 76(8) 0.01563 78.7 78.7 75(8) 0.01563 78.6 78.6 76(8) 0.01563 78.6 78.6 73(8) 0.01563 78.6 78.6 75(8) 0.01563 78.5 78.5 74(8) 0.01563 78.5 78.5 77(8) 0.01563 78.5 78.5 66(8) 0.01563 78.4 78.4 73(8) 0.01563 78.4 78.4 80(9) 0.01235 78.4 78.4 76(8) 0.01563 78.3 78.3 86(9) 0.01235 78.3 78.3 81(9) 0.01235 78.3 78.3 80(9) 0.01235 78.2 78.2 81(9) 0.01235 78.2 78.2 87(9) 0.01235 78.2 78.2 90(9) 0.01235 78.1 78.1 93(9) 0.01235 78.1 78.1 74(8) 0.01563 78.1 78.1 81(9) 0.01235 78.1 78.1 85(9) 0.01235 78.0 78.0 85(9) 0.01235 78.0 78.0 77(8) 0.01563 78.0 78.0 77(8) 0.01563 77.9 77.9 69(8) 0.01563 77.9 77.9 68(8) 0.01563 77.9 77.9 74(8) 0.01563 77.8 77.8 76(8) 0.01563 77.8 77.8 72(8) 0.01563 77.8 77.8 78(8) 0.01563 77.7 77.7 81(9) 0.01235 77.7 77.7 73(8) 0.01563 77.7 77.7 90(9) 0.01235 77.6 77.6 84(9) 0.01235 77.6 77.6 74(8) 0.01563 77.6 77.6 71(8) 0.01563 77.6 77.6 76(8) 0.01563 77.5 77.5 70(8) 0.01563 77.5 77.5 70(8) 0.01563 77.5 77.5 83(9) 0.01235 77.4 77.4 78(8) 0.01563 77.4 77.4 70(8) 0.01563 77.4 77.4 71(8) 0.01563 77.3 77.3 85(9) 0.01235 77.3 77.3 82(9) 0.01235 77.3 77.3 73(8) 0.01563 77.2 77.2 88(9) 0.01235 77.2 77.2 79(8) 0.01563 77.2 77.2 92(9) 0.01235 77.1 77.1 81(9) 0.01235 77.1 77.1 69(8) 0.01563 77.1 77.1 73(8) 0.01563 77.1 77.1 76(8) 0.01563 77.0 77.0 82(9) 0.01235 77.0 77.0 79(8) 0.01563 77.0 77.0 81(9) 0.01235 76.9 76.9 80(9) 0.01235 76.9 76.9 95(9) 0.01235 76.9 76.9 103(10) 0.01000 76.8 76.8 88(9) 0.01235 76.8 76.8 72(8) 0.01563 76.8 76.8 70(8) 0.01563 76.8 76.7 68(8) 0.01563 76.7 76.7 76(8) 0.01563 76.7 76.7 71(8) 0.01563 76.7 76.7 77(8) 0.01563 76.6 76.6 69(8) 0.01563 76.6 76.6 76(8) 0.01563 76.6 76.6 86(9) 0.01235 76.5 76.5 81(9) 0.01235 76.5 76.5 88(9) 0.01235 76.5 76.5 88(9) 0.01235 76.4 76.4 76(8) 0.01563 76.4 76.4 82(9) 0.01235 76.4 76.4 75(8) 0.01563 76.4 76.4 85(9) 0.01235 76.3 76.3 85(9) 0.01235 76.3 76.3 68(8) 0.01563 76.3 76.3 79(8) 0.01563 76.2 76.2 75(8) 0.01563 76.2 76.2 67(8) 0.01563 76.2 76.2 73(8) 0.01563 76.1 76.1 73(8) 0.01563 76.1 76.1 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61.4 122.8 116(8) 0.01563 61.4 128.7 138(9) 0.01235 61.4 133.7 138(9) 0.01235 61.4 137.7 140(9) 0.01235 61.4 140.6 148(9) 0.01235 61.4 142.5 149(9) 0.01235 61.5 143.6 138(9) 0.01235 61.5 144.1 140(9) 0.01235 61.5 144.0 136(8) 0.01563 61.5 143.7 129(8) 0.01563 61.5 143.0 139(9) 0.01235 61.5 142.1 145(9) 0.01235 61.5 140.8 144(9) 0.01235 61.5 139.0 138(9) 0.01235 61.6 136.5 128(8) 0.01563 61.6 133.2 138(9) 0.01235 61.6 129.1 124(8) 0.01563 61.6 124.2 125(8) 0.01563 61.6 118.6 106(7) 0.02041 61.6 112.4 103(7) 0.02041 61.6 106.1 93(7) 0.02041 61.6 99.7 90(7) 0.02041 61.7 93.6 91(7) 0.02041 61.7 87.9 78(6) 0.02778 61.7 82.8 90(7) 0.02041 61.7 78.4 70(6) 0.02778 61.7 74.4 67(6) 0.02778 61.7 71.6 65(6) 0.02778 61.7 69.6 70(6) 0.02778 61.7 68.2 59(6) 0.02778 61.7 67.5 66(6) 0.02778 61.8 67.3 62(6) 0.02778 61.8 67.7 65(6) 0.02778 61.8 68.6 68(6) 0.02778 61.8 70.0 74(6) 0.02778 61.8 71.7 80(7) 0.02041 61.8 73.7 77(6) 0.02778 61.8 75.9 81(7) 0.02041 61.9 78.0 77(6) 0.02778 61.9 80.4 83(7) 0.02041 61.9 82.5 76(6) 0.02778 61.9 84.4 85(7) 0.02041 61.9 85.9 90(7) 0.02041 61.9 86.8 83(7) 0.02041 61.9 87.2 90(7) 0.02041 61.9 86.9 96(7) 0.02041 62.0 86.0 90(7) 0.02041 62.0 85.0 81(7) 0.02041 62.0 83.3 74(6) 0.02778 62.0 81.3 69(6) 0.02778 62.0 79.1 92(7) 0.02041 62.0 76.9 76(6) 0.02778 62.0 74.9 73(6) 0.02778 62.0 73.1 77(6) 0.02778 62.1 71.7 65(6) 0.02778 62.1 70.6 69(6) 0.02778 62.1 70.0 77(6) 0.02778 62.1 69.9 70(6) 0.02778 62.1 70.2 64(6) 0.02778 62.1 70.9 66(6) 0.02778 62.1 72.0 76(6) 0.02778 62.1 74.0 72(6) 0.02778 62.2 75.8 70(6) 0.02778 62.2 77.8 66(6) 0.02778 62.2 80.0 77(6) 0.02778 62.2 82.2 80(7) 0.02041 62.2 84.3 87(7) 0.02041 62.2 86.4 82(7) 0.02041 62.2 88.2 91(7) 0.02041 62.3 89.8 81(7) 0.02041 62.3 91.0 83(7) 0.02041 62.3 92.0 79(7) 0.02041 62.3 92.6 95(7) 0.02041 62.3 93.1 97(7) 0.02041 62.3 93.4 86(7) 0.02041 62.3 93.6 92(7) 0.02041 62.3 93.7 97(7) 0.02041 62.4 93.9 95(7) 0.02041 62.4 94.0 104(7) 0.02041 62.4 94.1 93(7) 0.02041 62.4 94.0 86(7) 0.02041 62.4 93.9 97(7) 0.02041 62.4 93.5 92(7) 0.02041 62.4 92.9 80(7) 0.02041 62.5 91.9 79(7) 0.02041 62.5 90.5 93(7) 0.02041 62.5 88.9 93(7) 0.02041 62.5 86.9 84(7) 0.02041 62.5 84.8 71(6) 0.02778 62.5 82.5 71(6) 0.02778 62.5 80.2 77(6) 0.02778 62.5 77.8 59(6) 0.02778 62.6 75.6 72(6) 0.02778 62.6 73.2 75(6) 0.02778 62.6 71.3 70(6) 0.02778 62.6 69.7 66(6) 0.02778 62.6 68.3 67(6) 0.02778 62.6 67.1 61(6) 0.02778 62.6 66.1 63(6) 0.02778 62.7 65.3 61(6) 0.02778 62.7 64.7 62(6) 0.02778 62.7 64.2 60(6) 0.02778 62.7 64.2 56(6) 0.02778 62.7 64.0 65(6) 0.02778 62.7 63.9 59(6) 0.02778 62.7 63.8 76(6) 0.02778 62.8 63.8 71(6) 0.02778 62.8 63.5 61(6) 0.02778 62.8 63.7 66(6) 0.02778 62.8 64.0 64(6) 0.02778 62.8 64.4 74(6) 0.02778 62.8 64.9 61(6) 0.02778 62.8 65.6 59(6) 0.02778 62.9 66.5 69(6) 0.02778 62.9 67.6 78(7) 0.02041 62.9 69.0 75(6) 0.02778 62.9 70.7 68(6) 0.02778 62.9 72.7 72(6) 0.02778 62.9 75.0 84(7) 0.02041 62.9 77.7 80(7) 0.02041 63.0 80.8 86(7) 0.02041 63.0 84.0 89(7) 0.02041 63.0 87.5 84(7) 0.02041 63.0 91.0 93(7) 0.02041 63.0 94.6 111(8) 0.01563 63.0 97.9 99(7) 0.02041 63.0 100.9 107(8) 0.01563 63.1 103.5 107(8) 0.01563 63.1 105.5 109(8) 0.01563 63.1 106.7 108(8) 0.01563 63.1 107.2 100(7) 0.02041 63.1 106.9 119(8) 0.01563 63.1 105.7 112(8) 0.01563 63.1 103.9 100(7) 0.02041 63.2 101.5 92(7) 0.02041 63.2 98.6 95(7) 0.02041 63.2 95.4 94(7) 0.02041 63.2 92.0 89(7) 0.02041 63.2 88.6 79(7) 0.02041 63.2 85.2 85(7) 0.02041 63.2 82.1 86(7) 0.02041 63.3 79.2 78(6) 0.02778 63.3 76.6 73(6) 0.02778 63.3 74.3 71(6) 0.02778 63.3 72.4 64(6) 0.02778 63.3 70.8 71(6) 0.02778 63.3 69.5 63(6) 0.02778 63.3 68.4 65(6) 0.02778 63.4 67.6 73(6) 0.02778 63.4 67.0 66(6) 0.02778 63.4 66.5 63(6) 0.02778 63.4 66.2 58(6) 0.02778 63.4 66.0 67(6) 0.02778 63.4 65.8 73(6) 0.02778 63.4 65.8 61(6) 0.02778 63.5 65.7 60(6) 0.02778 63.5 65.8 63(6) 0.02778 63.5 65.8 66(6) 0.02778 63.5 65.6 59(6) 0.02778 63.5 65.7 72(6) 0.02778 63.5 65.9 67(6) 0.02778 63.5 66.1 68(6) 0.02778 63.6 66.3 67(6) 0.02778 63.6 66.5 66(6) 0.02778 63.6 66.6 85(10) 0.01000 63.6 66.8 69(6) 0.02778 63.6 67.0 62(6) 0.02778 63.6 67.1 69(6) 0.02778 63.7 67.2 61(6) 0.02778 63.7 67.4 73(6) 0.02778 63.7 67.4 64(6) 0.02778 63.7 67.5 58(6) 0.02778 63.7 67.6 66(6) 0.02778 63.7 67.6 60(6) 0.02778 63.7 67.7 72(6) 0.02778 63.8 67.7 72(6) 0.02778 63.8 67.8 67(6) 0.02778 63.8 67.8 76(7) 0.02041 63.8 67.8 72(6) 0.02778 63.8 67.8 66(6) 0.02778 63.8 67.8 69(6) 0.02778 63.9 67.8 64(6) 0.02778 63.9 67.8 58(6) 0.02778 63.9 67.7 76(7) 0.02041 63.9 67.6 74(7) 0.02041 63.9 67.5 59(6) 0.02778 63.9 67.4 67(6) 0.02778 63.9 67.3 71(6) 0.02778 64.0 67.1 62(6) 0.02778 64.0 67.0 61(6) 0.02778 64.0 66.8 65(6) 0.02778 64.0 66.6 54(6) 0.02778 64.0 66.4 61(6) 0.02778 64.0 66.2 66(6) 0.02778 64.1 66.1 59(6) 0.02778 64.1 65.9 63(6) 0.02778 64.1 65.7 59(6) 0.02778 64.1 65.5 67(6) 0.02778 64.1 65.3 56(6) 0.02778 64.1 65.2 60(6) 0.02778 64.1 65.1 59(6) 0.02778 64.2 64.9 59(6) 0.02778 64.2 64.8 61(6) 0.02778 64.2 64.7 68(6) 0.02778 64.2 64.7 72(6) 0.02778 64.2 64.6 61(6) 0.02778 64.2 64.5 54(6) 0.02778 64.3 64.5 59(6) 0.02778 64.3 64.5 62(6) 0.02778 64.3 64.4 63(6) 0.02778 64.3 64.4 64(6) 0.02778 64.3 64.4 58(6) 0.02778 64.3 64.4 64(6) 0.02778 64.4 64.4 70(6) 0.02778 64.4 64.4 65(6) 0.02778 64.4 64.4 61(6) 0.02778 64.4 64.4 70(6) 0.02778 64.4 64.4 71(6) 0.02778 64.4 64.4 69(6) 0.02778 64.4 64.4 68(6) 0.02778 64.5 64.5 73(6) 0.02778 64.5 64.5 65(6) 0.02778 64.5 64.5 73(6) 0.02778 64.5 64.5 75(7) 0.02041 64.5 64.5 71(6) 0.02778 64.5 64.5 70(6) 0.02778 64.6 64.6 65(6) 0.02778 64.6 64.6 63(6) 0.02778 64.6 64.6 65(6) 0.02778 64.6 64.6 65(6) 0.02778 64.6 64.6 62(6) 0.02778 64.6 64.6 71(6) 0.02778 64.7 64.7 72(6) 0.02778 64.7 64.7 75(7) 0.02041 64.7 64.7 67(6) 0.02778 64.7 64.7 61(6) 0.02778 64.7 64.7 74(7) 0.02041 64.7 64.7 74(7) 0.02041 64.8 64.7 _pd_meas_number_of_points 2640 _pd_proc_number_of_points 2640 loop_ _pd_refln_index_h _pd_refln_index_k _pd_refln_index_l _pd_refln_phase_id _refln_observed_status _refln_F_squared_calc _refln_F_squared_meas 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2.385 0.002 0.00 0.30 0 3 2 2 o 0.000 0.000 0.00 0.00 3 1 1 2 o 36.012 33.419 0.00 8.95 1 3 1 2 o 4.578 4.520 0.00 1.13 2 2 3 2 o 0.000 0.000 0.00 0.00 1 0 6 2 o 8.562 0.002 0.00 1.03 0 1 6 2 o 0.000 0.000 0.00 0.00 2 0 5 2 o 0.000 0.000 0.00 0.00 0 2 5 2 o 0.000 0.000 0.00 0.00 3 1 2 2 o 0.000 0.000 0.00 0.00 1 3 2 2 o 0.000 0.000 0.00 0.00 1 1 1 3 o 1.194 1.194 0.00 9.52 3 0 3 2 o 0.000 0.000 0.00 0.00 0 3 3 2 o 0.000 0.000 0.00 0.00 1 1 6 2 o 0.000 0.000 0.00 0.00 2 1 5 2 o 0.000 0.000 0.00 0.00 1 2 5 2 o 0.000 0.000 0.00 0.00 2 2 4 2 o 0.000 0.000 0.00 0.00 1 1 2 1 o 2.419 2.299 0.00 32.76 3 1 3 2 o 20.791 20.140 0.00 4.37 1 3 3 2 o 5.894 5.973 0.00 1.23 3 2 0 2 o 0.099 0.289 0.00 0.01 2 3 0 2 o 0.000 0.000 0.00 0.00 0 0 7 2 o 0.000 0.000 0.00 0.00 3 2 1 2 o 0.000 0.000 0.00 0.00 3 0 4 2 o 4.669 0.182 0.00 0.46 2 3 1 2 o 0.000 0.000 0.00 0.00 0 3 4 2 o 0.000 0.000 0.00 0.00 2 0 6 2 o 0.000 0.000 0.00 0.00 1 0 3 1 o 1.729 1.497 180.00 10.71 0 2 6 2 o 0.000 0.000 0.00 0.00 0 1 3 1 o 1.838 1.656 180.00 11.36 3 2 2 2 o 0.000 0.002 0.00 0.00 2 3 2 2 o 0.000 0.000 0.00 0.00 1 0 7 2 o 0.000 0.000 0.00 0.00 0 1 7 2 o 0.000 0.000 0.00 0.00 1 1 1 4 o 11.081 9.396 0.00 23.24 3 1 4 2 o 0.000 0.000 0.00 0.00 1 3 4 2 o 0.000 0.000 0.00 0.00 2 1 6 2 o 0.000 0.000 0.00 0.00 1 2 6 2 o 3.526 0.005 0.00 0.64 2 2 5 2 o 0.000 0.000 0.00 0.00 2 0 0 3 o 4.018 4.018 0.00 18.81 1 1 7 2 o 7.867 9.473 0.00 1.40 3 2 3 2 o 0.000 0.000 0.00 0.00 2 3 3 2 o 0.000 0.000 0.00 0.00 3 0 5 2 o 0.000 0.000 0.00 0.00 0 3 5 2 o 0.000 0.000 0.00 0.00 4 0 0 2 o 0.000 0.000 0.00 0.00 2 0 0 1 o 33.771 32.853 0.00 92.06 0 2 0 1 o 33.108 32.415 0.00 89.71 4 0 1 2 o 0.000 0.000 0.00 0.00 0 4 1 2 o 0.000 0.000 0.00 0.00 3 1 5 2 o 29.971 28.196 0.00 4.92 1 3 5 2 o 14.998 13.731 0.00 2.46 4 1 0 2 o 0.000 0.000 0.00 0.00 4 0 2 2 o 0.000 0.000 0.00 0.00 2 0 1 1 o 0.523 0.460 180.00 2.70 1 4 0 2 o 0.242 0.220 0.00 0.02 0 4 2 2 o 0.000 0.000 0.00 0.00 0 2 1 1 o 0.473 0.454 180.00 2.43 2 0 7 2 o 0.000 0.000 0.00 0.00 0 2 7 2 o 0.000 0.000 0.00 0.00 0 0 8 2 o 0.000 0.000 0.00 0.00 0 0 4 1 o 11.001 10.985 0.00 28.22 4 1 1 2 o 0.000 0.000 0.00 0.00 3 2 4 2 o 0.131 0.155 0.00 0.02 2 3 4 2 o 0.000 0.000 0.00 0.00 1 4 1 2 o 0.000 0.000 0.00 0.00 2 2 6 2 o 0.000 0.000 0.00 0.00 1 1 3 1 o 1.479 1.440 180.00 14.86 3 3 0 2 o 0.000 0.000 0.00 0.00 4 1 2 2 o 0.000 0.000 0.00 0.00 1 4 2 2 o 0.000 0.001 0.00 0.00 2 1 7 2 o 0.000 0.000 0.00 0.00 1 2 7 2 o 0.000 0.000 0.00 0.00 1 0 8 2 o 0.000 0.009 0.00 0.00 0 1 8 2 o 0.000 0.000 0.00 0.00 3 3 1 2 o 5.920 10.923 0.00 0.91 4 0 3 2 o 0.000 0.000 0.00 0.00 0 4 3 2 o 0.000 0.000 0.00 0.00 3 0 6 2 o 0.000 0.006 0.00 0.00 0 3 6 2 o 0.000 0.000 0.00 0.00 2 0 0 4 o 7.819 9.352 0.00 9.79 3 3 2 2 o 0.000 0.000 0.00 0.00 1 1 8 2 o 0.000 0.000 0.00 0.00 4 1 3 2 o 0.000 0.000 0.00 0.00 1 4 3 2 o 0.000 0.000 0.00 0.00 3 1 6 2 o 0.000 0.000 0.00 0.00 3 2 5 2 o 0.000 0.000 0.00 0.00 1 3 6 2 o 0.000 0.000 0.00 0.00 2 3 5 2 o 0.000 0.000 0.00 0.00 4 2 0 2 o 0.000 0.000 0.00 0.00 2 1 0 1 o 1.222 1.298 180.00 5.60 2 4 0 2 o 0.000 0.000 0.00 0.00 1 2 0 1 o 1.220 1.266 180.00 5.58 4 2 1 2 o 0.000 0.000 0.00 0.00 4 0 4 2 o 0.000 0.000 0.00 0.00 2 0 2 1 o 2.178 2.243 180.00 9.88 2 4 1 2 o 0.000 0.000 0.00 0.00 0 4 4 2 o 0.000 0.000 0.00 0.00 0 2 2 1 o 2.064 2.199 180.00 9.33 3 3 3 2 o 5.309 7.177 0.00 0.75 4 2 2 2 o 0.000 0.000 0.00 0.00 2 1 1 1 o 0.391 0.381 180.00 3.45 2 4 2 2 o 0.000 0.000 0.00 0.00 1 2 1 1 o 0.345 0.361 180.00 3.03 2 2 7 2 o 0.000 0.000 0.00 0.00 2 0 8 2 o 0.000 0.000 0.00 0.00 1 0 4 1 o 0.802 0.818 180.00 3.52 0 2 8 2 o 0.000 0.000 0.00 0.00 0 1 4 1 o 0.910 0.954 180.00 3.99 4 1 4 2 o 0.000 0.000 0.00 0.00 1 4 4 2 o 0.000 0.126 0.00 0.00 0 0 9 2 o 0.000 0.000 0.00 0.00 3 0 7 2 o 0.000 0.000 0.00 0.00 2 1 8 2 o 0.000 0.000 0.00 0.00 0 3 7 2 o 0.000 0.000 0.00 0.00 1 2 8 2 o 0.000 0.029 0.00 0.00 3 3 4 2 o 0.000 0.000 0.00 0.00 4 2 3 2 o 0.000 0.000 0.00 0.00 2 4 3 2 o 0.000 0.000 0.00 0.00 3 2 6 2 o 0.000 0.005 0.00 0.00 4 0 5 2 o 0.000 0.000 0.00 0.00 2 3 6 2 o 0.000 0.000 0.00 0.00 1 0 9 2 o 0.000 0.000 0.00 0.00 0 4 5 2 o 0.000 0.000 0.00 0.00 0 1 9 2 o 0.000 0.000 0.00 0.00 3 1 7 2 o 3.244 5.786 0.00 0.42 1 3 7 2 o 0.000 3.670 0.00 0.00 4 1 5 2 o 0.000 0.000 0.00 0.00 1 4 5 2 o 0.000 0.000 0.00 0.00 1 1 9 2 o 20.133 19.911 0.00 2.56 4 2 4 2 o 0.000 0.000 0.00 0.00 2 1 2 1 o 5.671 5.708 0.00 45.50 2 4 4 2 o 0.000 0.000 0.00 0.00 1 2 2 1 o 5.385 5.434 0.00 43.11 3 3 5 2 o 18.902 11.329 0.00 2.34 5 0 0 2 o 0.424 0.133 0.00 0.01 4 3 0 2 o 0.000 0.000 0.00 0.00 3 4 0 2 o 0.211 0.132 0.00 0.01 5 0 1 2 o 0.000 0.000 0.00 0.00 2 2 8 2 o 0.000 0.000 0.00 0.00 1 1 4 1 o 10.800 10.865 0.00 84.61 4 3 1 2 o 0.000 0.000 0.00 0.00 3 4 1 2 o 0.000 0.000 0.00 0.00 0 5 1 2 o 0.000 0.000 0.00 0.00 4 0 6 2 o 0.000 0.000 0.00 0.00 2 0 3 1 o 6.803 7.010 0.00 26.39 0 4 6 2 o 0.000 0.000 0.00 0.00 0 2 3 1 o 6.853 6.852 0.00 26.51 2 0 9 2 o 0.000 0.000 0.00 0.00 0 2 9 2 o 0.000 0.000 0.00 0.00 5 1 0 2 o 0.000 0.000 0.00 0.00 5 0 2 2 o 0.001 0.001 0.00 0.00 4 3 2 2 o 0.000 0.000 0.00 0.00 1 5 0 2 o 0.000 0.000 0.00 0.00 3 4 2 2 o 0.001 0.001 0.00 0.00 3 2 7 2 o 0.000 0.000 0.00 0.00 0 5 2 2 o 0.000 0.000 0.00 0.00 3 0 8 2 o 0.048 0.034 0.00 0.00 5 1 1 2 o 17.761 12.583 0.00 2.13 2 3 7 2 o 0.000 0.000 0.00 0.00 0 3 8 2 o 0.000 0.000 0.00 0.00 1 5 1 2 o 0.622 0.616 0.00 0.07 4 1 6 2 o 0.000 0.000 0.00 0.00 4 2 5 2 o 0.000 0.000 0.00 0.00 1 4 6 2 o 0.000 0.004 0.00 0.00 2 4 5 2 o 0.000 0.000 0.00 0.00 2 1 9 2 o 0.000 0.000 0.00 0.00 1 2 9 2 o 0.000 0.000 0.00 0.00 0 0 10 2 o 0.000 0.000 0.00 0.00 0 0 5 1 o 5.339 5.106 180.00 10.07 5 1 2 2 o 0.000 0.000 0.00 0.00 1 5 2 2 o 0.000 0.000 0.00 0.00 3 1 8 2 o 0.000 0.000 0.00 0.00 1 3 8 2 o 0.000 0.000 0.00 0.00 5 0 3 2 o 0.000 0.000 0.00 0.00 4 3 3 2 o 0.000 0.000 0.00 0.00 3 4 3 2 o 0.000 0.000 0.00 0.00 0 5 3 2 o 0.000 0.000 0.00 0.00 3 3 6 2 o 0.000 0.000 0.00 0.00 1 0 10 2 o 0.000 0.001 0.00 0.00 0 1 10 2 o 0.000 0.000 0.00 0.00 5 1 3 2 o 6.480 7.562 0.00 0.74 1 5 3 2 o 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o 0.000 0.010 0.00 0.00 3 3 7 2 o 2.024 2.602 0.00 0.22 5 2 3 2 o 0.000 0.000 0.00 0.00 2 5 3 2 o 0.000 0.000 0.00 0.00 5 0 5 2 o 0.000 0.000 0.00 0.00 4 3 5 2 o 0.000 0.000 0.00 0.00 3 4 5 2 o 0.000 0.000 0.00 0.00 3 1 9 2 o 11.669 12.288 0.00 1.27 1 3 9 2 o 8.545 9.028 0.00 0.93 0 5 5 2 o 0.000 0.000 0.00 0.00 2 1 10 2 o 0.000 0.000 0.00 0.00 1 2 10 2 o 0.002 0.002 0.00 0.00 4 4 0 2 o 0.000 0.000 0.00 0.00 2 2 0 1 o 28.742 28.532 0.00 100.00 4 4 1 2 o 0.000 0.000 0.00 0.00 0 0 11 2 o 0.000 0.000 0.00 0.00 5 1 5 2 o 19.224 10.653 0.00 2.08 1 5 5 2 o 4.094 2.537 0.00 0.44 4 4 2 2 o 0.000 0.000 0.00 0.00 2 2 1 1 o 0.390 0.388 180.00 2.68 4 2 7 2 o 0.000 0.000 0.00 0.00 4 0 8 2 o 0.000 0.000 0.00 0.00 2 0 4 1 o 9.728 9.809 0.00 33.45 2 4 7 2 o 0.000 0.000 0.00 0.00 5 2 4 2 o 0.065 0.066 0.00 0.01 0 4 8 2 o 0.000 0.000 0.00 0.00 0 2 4 1 o 9.585 9.748 0.00 32.92 2 5 4 2 o 0.000 0.000 0.00 0.00 1 0 11 2 o 0.000 0.000 0.00 0.00 0 1 11 2 o 0.000 0.000 0.00 0.00 5 3 0 2 o 0.000 0.000 0.00 0.00 3 5 0 2 o 0.000 0.000 0.00 0.00 4 1 8 2 o 0.000 0.000 0.00 0.00 5 3 1 2 o 11.670 5.874 0.00 1.24 1 4 8 2 o 0.043 0.030 0.00 0.00 3 5 1 2 o 2.955 2.120 0.00 0.31 4 4 3 2 o 0.000 0.000 0.00 0.00 1 1 11 2 o 1.378 1.183 0.00 0.15 5 0 6 2 o 0.003 0.003 0.00 0.00 4 3 6 2 o 0.000 0.000 0.00 0.00 3 4 6 2 o 0.002 0.003 0.00 0.00 3 2 9 2 o 0.000 0.000 0.00 0.00 0 5 6 2 o 0.000 0.000 0.00 0.00 2 3 9 2 o 0.000 0.000 0.00 0.00 2 2 10 2 o 0.000 0.000 0.00 0.00 1 1 5 1 o 1.860 1.846 0.00 12.62 5 3 2 2 o 0.000 0.000 0.00 0.00 3 5 2 2 o 0.000 0.000 0.00 0.00 3 3 8 2 o 0.000 0.000 0.00 0.00 5 1 6 2 o 0.000 0.000 0.00 0.00 5 2 5 2 o 0.000 0.000 0.00 0.00 1 5 6 2 o 0.000 0.000 0.00 0.00 2 5 5 2 o 0.000 0.000 0.00 0.00 3 0 10 2 o 0.964 0.002 0.00 0.05 6 0 0 2 o 0.000 0.000 0.00 0.00 3 0 0 1 o 1.486 1.338 180.00 2.51 0 3 10 2 o 0.000 0.000 0.00 0.00 6 0 1 2 o 0.000 0.000 0.00 0.00 0 3 0 1 o 1.237 1.307 180.00 2.09 4 4 4 2 o 0.000 0.000 0.00 0.00 2 2 2 1 o 1.978 1.986 180.00 13.33 5 3 3 2 o 3.648 3.611 0.00 0.38 0 6 1 2 o 0.000 0.000 0.00 0.00 3 5 3 2 o 1.481 1.481 0.00 0.16 2 0 11 2 o 0.000 0.000 0.00 0.00 0 2 11 2 o 0.000 0.000 0.00 0.00 3 1 10 2 o 0.000 0.000 0.00 0.00 6 1 0 2 o 0.000 0.000 0.00 0.00 1 3 10 2 o 0.000 0.000 0.00 0.00 6 0 2 2 o 0.000 0.000 0.00 0.00 3 0 1 1 o 0.395 0.303 180.00 1.33 1 6 0 2 o 0.067 0.063 0.00 0.00 6 1 1 2 o 0.000 0.000 0.00 0.00 4 2 8 2 o 0.000 0.000 0.00 0.00 2 1 4 1 o 0.968 0.911 180.00 6.51 0 6 2 2 o 0.000 0.000 0.00 0.00 0 3 1 1 o 0.325 0.299 180.00 1.09 2 4 8 2 o 0.000 0.000 0.00 0.00 1 2 4 1 o 0.856 0.772 180.00 5.76 1 6 1 2 o 0.000 0.000 0.00 0.00 2 1 11 2 o 0.000 0.000 0.00 0.00 1 2 11 2 o 0.000 0.000 0.00 0.00 4 0 9 2 o 0.000 0.000 0.00 0.00 2 2 0 4 o 9.580 9.177 0.00 17.00 0 4 9 2 o 0.000 0.000 0.00 0.00 6 1 2 2 o 0.000 0.000 0.00 0.00 5 0 7 2 o 0.000 0.000 0.00 0.00 4 3 7 2 o 0.000 0.000 0.00 0.00 3 4 7 2 o 0.000 0.000 0.00 0.00 1 6 2 2 o 0.000 0.000 0.00 0.00 5 3 4 2 o 0.000 0.000 0.00 0.00 0 5 7 2 o 0.000 0.000 0.00 0.00 6 0 3 2 o 0.000 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0.000 0.00 0.00 3 5 5 2 o 3.082 2.582 0.00 0.33 6 2 2 2 o 0.000 0.000 0.00 0.00 3 1 1 1 o 0.832 0.757 0.00 5.64 5 4 0 2 o 0.055 0.050 0.00 0.00 4 5 0 2 o 0.000 0.000 0.00 0.00 6 1 4 2 o 0.000 0.000 0.00 0.00 2 6 2 2 o 0.000 0.000 0.00 0.00 1 3 1 1 o 0.696 0.707 0.00 4.73 5 4 1 2 o 0.000 0.000 0.00 0.00 3 1 1 3 o 1.781 1.781 0.00 19.80 4 5 1 2 o 0.000 0.000 0.00 0.00 1 6 4 2 o 0.043 0.041 0.00 0.00 3 0 11 2 o 0.000 0.000 0.00 0.00 0 3 11 2 o 0.000 0.000 0.00 0.00 4 4 6 2 o 0.000 0.000 0.00 0.00 2 2 3 1 o 5.993 5.968 0.00 40.87 4 2 9 2 o 0.000 0.000 0.00 0.00 2 4 9 2 o 0.000 0.000 0.00 0.00 5 4 2 2 o 0.000 0.000 0.00 0.00 5 2 7 2 o 0.000 0.000 0.00 0.00 4 5 2 2 o 0.000 0.000 0.00 0.00 5 0 8 2 o 0.000 0.022 0.00 0.00 4 3 8 2 o 0.000 0.000 0.00 0.00 3 4 8 2 o 0.000 0.022 0.00 0.00 2 5 7 2 o 0.000 0.000 0.00 0.00 6 2 3 2 o 0.000 0.000 0.00 0.00 0 5 8 2 o 0.000 0.000 0.00 0.00 3 1 11 2 o 0.814 0.743 0.00 0.09 2 6 3 2 o 0.000 0.000 0.00 0.00 1 3 11 2 o 0.642 0.595 0.00 0.07 6 0 5 2 o 0.000 0.000 0.00 0.00 2 0 12 2 o 0.000 0.000 0.00 0.00 1 0 6 1 o 4.126 3.898 0.00 14.22 0 2 12 2 o 0.000 0.000 0.00 0.00 0 1 6 1 o 3.407 3.287 0.00 11.74 4 0 10 2 o 0.000 0.000 0.00 0.00 2 0 5 1 o 4.448 4.439 180.00 15.35 0 6 5 2 o 0.000 0.000 0.00 0.00 0 4 10 2 o 0.000 0.000 0.00 0.00 0 2 5 1 o 4.291 4.377 180.00 14.83 5 1 8 2 o 0.000 0.000 0.00 0.00 1 5 8 2 o 0.000 0.000 0.00 0.00 5 4 3 2 o 0.000 0.000 0.00 0.00 4 5 3 2 o 0.000 0.000 0.00 0.00 6 1 5 2 o 0.000 0.000 0.00 0.00 5 3 6 2 o 0.000 0.000 0.00 0.00 2 1 12 2 o 0.000 0.000 0.00 0.00 1 2 12 2 o 0.282 0.003 0.00 0.03 3 5 6 2 o 0.000 0.000 0.00 0.00 4 1 10 2 o 0.000 0.000 0.00 0.00 1 6 5 2 o 0.000 0.000 0.00 0.00 1 4 10 2 o 0.119 0.002 0.00 0.01 6 2 4 2 o 0.000 0.000 0.00 0.00 3 1 2 1 o 1.432 1.513 0.00 10.07 2 6 4 2 o 0.000 0.000 0.00 0.00 1 3 2 1 o 1.388 1.428 0.00 9.80 3 3 10 2 o 0.000 0.000 0.00 0.00 6 3 0 2 o 0.000 0.000 0.00 0.00 2 2 2 3 o 1.074 1.074 0.00 4.18 3 6 0 2 o 0.039 0.039 0.00 0.00 6 3 1 2 o 0.000 0.000 0.00 0.00 4 4 7 2 o 0.000 0.000 0.00 0.00 5 4 4 2 o 0.031 0.034 0.00 0.00 4 5 4 2 o 0.000 0.000 0.00 0.00 3 6 1 2 o 0.000 0.000 0.00 0.00 0 0 13 2 o 0.000 0.000 0.00 0.00 3 2 11 2 o 0.000 0.000 0.00 0.00 6 0 6 2 o 0.000 0.000 0.00 0.00 3 0 3 1 o 1.058 1.264 180.00 3.81 2 3 11 2 o 0.000 0.000 0.00 0.00 0 6 6 2 o 0.000 0.000 0.00 0.00 0 3 3 1 o 1.154 1.371 180.00 4.19 6 3 2 2 o 0.000 0.000 0.00 0.00 5 2 8 2 o 0.014 0.019 0.00 0.00 3 6 2 2 o 0.000 0.000 0.00 0.00 2 5 8 2 o 0.000 0.000 0.00 0.00 1 0 13 2 o 0.000 0.000 0.00 0.00 0 1 13 2 o 0.000 0.000 0.00 0.00 6 1 6 2 o 0.000 0.000 0.00 0.00 6 2 5 2 o 0.000 0.000 0.00 0.00 5 0 9 2 o 0.000 0.000 0.00 0.00 2 2 12 2 o 0.000 0.000 0.00 0.00 1 1 6 1 o 1.210 1.166 180.00 8.98 4 3 9 2 o 0.000 0.000 0.00 0.00 3 4 9 2 o 0.000 0.000 0.00 0.00 1 6 6 2 o 0.002 0.002 0.00 0.00 4 2 10 2 o 0.000 0.000 0.00 0.00 2 6 5 2 o 0.000 0.000 0.00 0.00 2 1 5 1 o 0.008 0.008 0.00 0.06 0 5 9 2 o 0.000 0.000 0.00 0.00 2 4 10 2 o 0.000 0.000 0.00 0.00 1 2 5 1 o 0.018 0.021 180.00 0.14 5 3 7 2 o 0.855 1.155 0.00 0.10 3 5 7 2 o 0.561 0.662 0.00 0.07 6 3 3 2 o 0.000 0.000 0.00 0.00 1 1 13 2 o 4.971 4.787 0.00 0.59 3 6 3 2 o 0.000 0.000 0.00 0.00 3 0 12 2 o 0.002 0.004 0.00 0.00 5 4 5 2 o 0.000 0.000 0.00 0.00 5 1 9 2 o 2.598 4.855 0.00 0.31 0 3 12 2 o 0.000 0.000 0.00 0.00 4 5 5 2 o 0.000 0.000 0.00 0.00 1 5 9 2 o 0.000 2.317 0.00 0.00 4 0 11 2 o 0.000 0.000 0.00 0.00 0 4 11 2 o 0.000 0.000 0.00 0.00 3 1 12 2 o 0.000 0.000 0.00 0.00 _reflns_number_observed 506 _reflns_limit_h_min 0 _reflns_limit_h_max 7 _reflns_limit_k_min 0 _reflns_limit_k_max 7 _reflns_limit_l_min 0 _reflns_limit_l_max 13 _reflns_d_resolution_high 1.125 _reflns_d_resolution_low 7.864 #--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--eof--#