Acta Cryst. (2012). E68, o35-o36 [ doi:10.1107/S1600536811051269 ]
Online 7 December 2011
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Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.594 5
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 24.90 From the CIF: _reflns_number_total 3074 Count of symmetry unique reflns 1778 Completeness (_total/calc) 172.89% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1296 Fraction of Friedel pairs measured 0.729 Are heavy atom types Z>Si present yes PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT791_ALERT_4_G Note: The Model has Chirality at C7 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C8 (Verify) S PLAT791_ALERT_4_G Note: The Model has Chirality at C9 (Verify) S PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 87 Perc. PLAT917_ALERT_2_G The FCF is likely NOT based on a BASF/TWIN Flack !
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 1 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 0 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 3 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
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