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Acta Cryst. (2013). E69, m53
[ doi:10.1107/S1600536812050404 ]


H. Chiririwa and W. L. Davis

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Alert level A PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on Au2 2.08 eA-3
Author Response: This peak lies at 0.05 A from the Au2 atom and it cannot be approximated by any additional atom or by the disorder in Au2. This is apparently due to anomalous dispersion effects. The similar instance also emerged in a recent issue of Acta Cryst., E (F.Liu and F.Zhang, <i>Acta Cryst.</i>, 2011, E67, m525). The complex investigated here had a Sm atom which is significantly lighter than the Au atom.

Alert level C PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0086 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 4 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.59 eA-3 PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 1.55 eA-3 PLAT975_ALERT_2_C Positive Residual Density at 0.97A from N23 . 0.46 eA-3
Alert level G PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 30 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 14 Perc. PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 240 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 7 PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ... 3
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 6 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 5 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check

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