Acta Cryst. (2012). E68, o853 [ doi:10.1107/S1600536812006897 ]
Online 24 February 2012
No syntax errors found
Alert level B PLAT230_ALERT_2_B Hirshfeld Test Diff for O2 -- C1 .. 7.1 su
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 25.31 From the CIF: _reflns_number_total 1868 Count of symmetry unique reflns 1015 Completeness (_total/calc) 184.04% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 853 Fraction of Friedel pairs measured 0.840 Are heavy atom types Z>Si present no PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT792_ALERT_1_G Note: The Model has Chirality at C2 (Verify) S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 6 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 68 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 0 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 2 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 1 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
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