Acta Cryst. (2012). E68, o2084
[ doi:10.1107/S1600536812025196 ]
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Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N3 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0042 Ang PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.595 3 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 70 Perc.
Alert level G REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to determine absolute structure in a light-atom study EXCEPT under VERY special conditions. It is preferred that Friedel data is merged in such cases. From the CIF: _diffrn_reflns_theta_max 25.01 From the CIF: _reflns_number_total 1251 Count of symmetry unique reflns 742 Completeness (_total/calc) 168.60% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 509 Fraction of Friedel pairs measured 0.686 Are heavy atom types Z>Si present no PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 3 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 62 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 4 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 0 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 4 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
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