Acta Cryst. (2004). E60, i108-i110 [ doi:10.1107/S1600536804018513 ]
No syntax errors found
Alert level B PLAT029_ALERT_3_B _diffrn_measured_fraction_theta_full Low ....... 0.96
Alert level C STRVA01_ALERT_4_C Flack test results are ambiguous. From the CIF: _refine_ls_abs_structure_Flack 0.550 From the CIF: _refine_ls_abs_structure_Flack_su 0.007 PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 0.55 PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ?
Alert level G ABSTM02_ALERT_3_G The ratio of expected to reported Tmax/Tmin(RR) is > 2.00 Tmin and Tmax reported: 0.047 0.603 Tmin and Tmax expected: 0.010 0.613 RR = 4.708 Please check that your absorption correction is appropriate. REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 28.82 From the CIF: _reflns_number_total 1807 Count of symmetry unique reflns 1153 Completeness (_total/calc) 156.72% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 654 Fraction of Friedel pairs measured 0.567 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion
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