[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o651
[ doi:10.1107/S1600536813008581 ]


K. Sasagawa, R. Sakamoto, D. Hijikata, N. Yonezawa and A. Okamoto

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.37 PLAT939_ALERT_3_C Large Value of Not (SHELXL) Weight Optimized S . 11.81
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 18 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 5.23 PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 55 Perc. PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 20 PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 84 Perc.
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 2 ALERT level C = Check. Ensure it is not caused by an omission or oversight 7 ALERT level G = General information/check it is not something unexpected 0 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 5 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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