[Open access]

[Contents scheme]

Acta Cryst. (2013). E69, o1743-o1744
[ doi:10.1107/S1600536813029747 ]

Raltegravir monohydrate

T. S. Yamuna, J. P. Jasinski, B. J. Anderson, H. S. Yathirajan and M. Kaur


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 = 0.783 Test value = 0.675 DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75 The relevant atom site should be identified. PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density 0.78 eA-3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 4.168 Check PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 6 Why ? PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 10 PLAT975_ALERT_2_C Positive Residual Density at 0.97A from O1W . 0.40 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 5 Why ? PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 899
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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