Acta Cryst. (2012). E68, m59-m60 [ doi:10.1107/S1600536811053177 ]
Online 17 December 2011
No syntax errors found
Alert level C PLAT230_ALERT_2_C Hirshfeld Test Diff for O1 -- C16 .. 6.5 su PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O4 PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O6 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 2
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 24.99 From the CIF: _reflns_number_total 4386 Count of symmetry unique reflns 2632 Completeness (_total/calc) 166.64% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1754 Fraction of Friedel pairs measured 0.666 Are heavy atom types Z>Si present yes PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 1 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT152_ALERT_1_G The Supplied and Calc. Volume s.u. Differ by ... 4 Units PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C17 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 86 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 6 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
Copyright © International Union of Crystallography