Acta Cryst. (2011). E67, o1020 [ doi:10.1107/S1600536811011342 ]
Online 31 March 2011
No syntax errors found
Alert level C STRVA01_ALERT_2_C Chirality of atom sites is inverted? From the CIF: _refine_ls_abs_structure_Flack 0.730 From the CIF: _refine_ls_abs_structure_Flack_su 0.090 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C7 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C8 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C16 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C14 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.01 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 7 PLAT480_ALERT_4_C Long H...A H-Bond Reported H2 .. N5 .. 2.73 Ang. PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 2 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 68 Perc.
Alert level G 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 26.00 From the CIF: _reflns_number_total 3355 Count of symmetry unique reflns 2048 Completeness (_total/calc) 163.82% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1307 Fraction of Friedel pairs measured 0.638 Are heavy atom types Z>Si present yes PLAT033_ALERT_4_G Flack x Parameter Value Deviates from Zero ..... 0.73
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 2 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
Copyright © International Union of Crystallography