[HTML version][PDF version][Article Abstract][CIF][3d view][Structure Factors][Issue contents]  [Buy article online]

[Contents scheme]

Acta Cryst. (2005). E61, o2567-o2569  [ doi:10.1107/S1600536805022038 ]


M. Mahendra, B. H. Doreswamy, M. A. Sridhar, J. Shashidhara Prasad, D. Kinnari, M. Dinesh and S. Anamik

Online 16 July 2005

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.82
Author Response: ...We have collected data on kappa IP diffractometer and processed using Denzo; and as we know that the DENZO image processing package is known to have problems with certain strong reflections. They are often excluded from the data set leading to a lower value for the above parameter.

Alert level C PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent ..... ? PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 2.53 Ratio PLAT340_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ... 5 PLAT411_ALERT_2_C Short Inter H...H Contact H26 .. H26 .. 2.14 Ang. PLAT414_ALERT_2_C Short Intra D-H..H-X H4 .. H21 .. 1.91 Ang.
Alert level G REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values From the CIF: _diffrn_reflns_theta_max 27.88 From the CIF: _reflns_number_total 4452 From the CIF: _diffrn_reflns_limit_ max hkl 24. 11. 29. From the CIF: _diffrn_reflns_limit_ min hkl -23. -10. -29. TEST1: Expected hkl limits for theta max Calculated maximum hkl 27. 14. 29. Calculated minimum hkl -27. -14. -29.
1 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 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 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

Copyright © International Union of Crystallography
IUCr Webmaster