#------------------------------------------------------------------------------ #$Date: 2020-08-29 08:08:29 +0300 (Sat, 29 Aug 2020) $ #$Revision: 255744 $ #$URL: file:///home/coder/svn-repositories/cod/hkl/2/24/35/2243566.hkl $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/. The original data for this entry # were provided by IUCr Journals, http://journals.iucr.org/. # # The file may be used within the scientific community so long as # proper attribution is given to the journal article from which the # data were obtained. # data_2243566 _audit_creation_date 2020-4-8 _audit_creation_method 'Tonto 20.01.31 github v. d26b49d' _diffrn_measurement_device_type 'Bruker D8 Venture' _diffrn_measurement_method '\f and \w scans' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.710730 _diffrn_reflns_number 25027 _diffrn_reflns_theta_max 32.584880 _reflns_d_resolution_high 9.356671 _reflns_d_resolution_low 0.659857 _reflns_limit_h_max 14 _reflns_limit_h_min -14 _reflns_limit_k_max 13 _reflns_limit_k_min 0 _reflns_limit_l_max 29 _reflns_limit_l_min 0 _reflns_number_gt 5359 _reflns_number_total 5359 _reflns_threshold_expression 'F>0 & F/u(F)>3.0 & |F_calc|>10^-3' _cod_data_source_file wm55612HARsup5.hkl _cod_data_source_block 2HAR _qcr_software Tonto _qcr_software_version '20.01.31 v. d26b49d' _qcr_software_platform Windows _qcr_software_build_date '2020-01-31 13:13' _qcr_software_website https://github.com/dylan-jayatilaka/tonto loop_ _refln_index_h _refln_index_k _refln_index_l _refln_index_group _refln_stl _refln_d_spacing _refln_A_calc _refln_B_calc _refln_phase_calc _refln_F_calc _refln_F_meas _refln_F_sigma _refln_delta_f_on_sigma -14 0 2 0 0.741166 0.674613 -4.605257 0.004569 179.943158 4.605260 4.235720 0.476053 -0.776258 -14 0 4 0 0.737724 0.677760 10.547425 0.137476 0.746753 10.548321 10.709895 0.239056 0.675882 -14 0 6 0 0.737853 0.677642 2.145610 0.041951 1.120109 2.146020 2.295476 0.343603 0.434968 -14 0 8 0 0.741551 0.674263 3.211817 -0.120292 357.855109 3.214069 3.660391 0.272462 1.638112 -14 0 10 0 0.748764 0.667767 -2.802506 -0.065758 181.344152 2.803277 2.415259 0.352535 -1.100649 -14 1 1 0 0.746438 0.669848 -11.530614 -0.084078 180.417778 11.530921 12.203252 0.132669 5.067722 -14 1 2 0 0.743401 0.672584 -7.583967 -0.073725 180.556966 7.584326 7.263952 0.174902 -1.831737 -14 1 3 0 0.741242 0.674543 8.204552 0.089076 0.622028 8.205035 8.323743 0.325488 0.364708 -14 1 4 0 0.739970 0.675703 8.401385 0.010334 0.070474 8.401391 8.866392 0.153889 3.021657 -14 1 5 0 0.739588 0.676052 6.998801 0.105093 0.860281 6.999590 6.501330 0.149531 -3.332142 -14 1 6 0 0.740098 0.675586 3.954259 0.078329 1.134810 3.955035 4.477698 0.198874 2.628104 -14 1 7 0 0.741499 0.674310 -6.062252 -0.058949 180.557119 6.062538 6.026500 0.176995 -0.203612 -14 1 9 0 0.746947 0.669391 -6.614395 -0.117380 181.016677 6.615437 6.433379 0.164986 -1.103474 -14 1 10 0 0.750976 0.665800 1.506744 -0.054494 357.928716 1.507729 1.878292 0.251643 1.472575 -14 2 1 0 0.753077 0.663943 -15.264439 -0.114188 180.428603 15.264866 15.995388 0.152557 4.788508 -14 2 2 0 0.750066 0.666608 3.572280 0.016396 0.262980 3.572318 3.111696 0.220560 -2.088415 -14 2 3 0 0.747927 0.668515 -12.360620 -0.095454 180.442455 12.360989 12.385053 0.335189 0.071792 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