[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1777-o1778
[ doi:10.1107/S1600536813030936 ]


A. Benharref, N. Mazoir, J.-C. Daran and M. Berraho

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575 Calculated sin(theta_max)/wavelength = 0.5647 PLAT023_ALERT_3_B Resolution (too) Low [sin(theta)/Lambda < 0.6].. 60.53 Deg.
Alert level C PLAT090_ALERT_3_C Poor Data / Parameter Ratio (Zmax > 18) ........ 6.26 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.565 6 PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 2
Alert level G PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite 8 Note PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT301_ALERT_3_G Main Residue Disorder ............ Percentage = 16 Note PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF .... # 54 C15A -C7 -C14 1.555 1.555 1.555 40.10 Deg. PLAT791_ALERT_4_G The Model has Chirality at C1 (Verify) S PLAT791_ALERT_4_G The Model has Chirality at C3 (Verify) R PLAT791_ALERT_4_G The Model has Chirality at C10 (Verify) R PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... ! Info PLAT860_ALERT_3_G Number of Least-Squares Restraints ............. 13 Note PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still 98 % PLAT961_ALERT_5_G Dataset Contains no Negative Intensities ....... Please Check
0 ALERT level A = Most likely a serious problem - resolve or explain 2 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 12 ALERT level G = General information/check it is not something unexpected 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 8 ALERT type 3 Indicator that the structure quality may be low 5 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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