[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o682
[ doi:10.1107/S1600536813008660 ]


B. Wannalerse, W. Pannil, J. Loriang, T. Tuntulani and T. Duangthongyou

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C REFNR01_ALERT_3_C Ratio of reflections to parameters is < 8 for a non-centrosymmetric structure, where ZMAX < 18 sine(theta)/lambda 0.5893 Proportion of unique data used 1.0000 Ratio reflections to parameters 6.4418 THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5893 PLAT089_ALERT_3_C Poor Data / Parameter Ratio (Zmax .LT. 18) ..... 6.44 PLAT148_ALERT_3_C su on the a - Axis is (Too) Large ........ 0.016 Ang. PLAT148_ALERT_3_C su on the b - Axis is (Too) Large ........ 0.0400 Ang. PLAT148_ALERT_3_C su on the c - Axis is (Too) Large ........ 0.050 Ang. PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N1 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N2 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0055 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 4 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.589 26 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 1
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 7 Perc. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C12 -C21 1.42 Ang. PLAT333_ALERT_2_G Check Large Av C6-Ring C-C Dist. C13 -C18 1.42 Ang. PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 6 O4A -N2 -O4B 1.555 1.555 1.555 34.80 Deg. PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 38 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 12 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 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 ALERT type 2 Indicator that the structure model may be wrong or deficient 12 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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