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[Contents scheme]

Acta Cryst. (2012). E68, m1459
[ doi:10.1107/S1600536812044947 ]


C. Tedesco, M. Lamberti and M. Mazzeo

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.26 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.762 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 3 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Ni1 1.29 eA-3
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 38.34 From the CIF: _reflns_number_total 10236 From the CIF: _diffrn_reflns_limit_ max hkl 18. 20. 26. From the CIF: _diffrn_reflns_limit_ min hkl -21. -20. -26. TEST1: Expected hkl limits for theta max Calculated maximum hkl 24. 20. 27. Calculated minimum hkl -24. -20. -27. PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ... ? PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c ....... P21/n PLAT328_ALERT_4_G Check for Possibly Missing H on sp3? Phosphorus. P1 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3532 PLAT950_ALERT_5_G Reported and Calculated Hmax Values Differ by .. 3
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 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 3 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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