[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3365-o3366
[ doi:10.1107/S1600536812045722 ]


S. Öztürk Yildirim, R. J. Butcher, A. El-Khouly, C. Safak and R. Simsek

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6 PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 62 Perc. PLAT918_ALERT_3_C Reflection(s) # with I(obs) much smaller I(calc) 1
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 75.74 From the CIF: _reflns_number_total 3713 Count of symmetry unique reflns 2411 Completeness (_total/calc) 154.00% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1302 Fraction of Friedel pairs measured 0.540 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 ............ 1 PLAT142_ALERT_4_G su on b - Axis Small or Missing ................ 0.00015 Ang. PLAT792_ALERT_1_G Note: The Model has Chirality at C7 (Verify) S PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 28
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 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 0 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster