[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1568
[ doi:10.1107/S1600536813025609 ]


A. Bushra Begum, S. Madan Kumar, B. C. Manjunath, S. A. Khanum and N. K. Lokanath

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT481_ALERT_4_B Long D...A H-Bond Reported C6 .. CG1 .. 4.90 Ang. PLAT776_ALERT_1_B Suspect D-H Dist in CIF: C6 -- CL7 .. 1.74 Ang.
Alert level C THETM01_ALERT_3_C The value of sine(theta_max)/wavelength is less than 0.590 Calculated sin(theta_max)/wavelength = 0.5875 PLAT905_ALERT_3_C Negative K value in the Analysis of Variance ... -0.107 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 19.826 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.587 15 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? Do ! PLAT007_ALERT_5_G Note: Number of Unrefined Donor-H Atoms ........ 1 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 81 %
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 3 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 6 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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