[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o136-o137
[ doi:10.1107/S1600536812051070 ]


M. Akkurt, P. N. Horton, S. K. Mohamed, A. A. Abdelhamid and M. A. A. E. Remaily

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75 _refine_diff_density_max given = 0.665 Test value = 0.600 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.976 PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.59 PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.67 eA-3 PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.4 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Uiso(max)/Uiso(min) .. 4.9 Ratio PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 7.561 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 3 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 40
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 9 PLAT003_ALERT_2_G Number of Uiso or Uij Restrained Atom Sites .... 8 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 5 PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C14B PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 22 Perc. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C1 -C10 1.42 Ang. PLAT793_ALERT_4_G The Model has Chirality at C13A (Verify) .... R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 81 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 22
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 11 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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