Acta Cryst. (2005). E61, o2415-o2416 [ doi:10.1107/S1600536805020775 ]
Online 6 July 2005
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Alert level C ABSTM02_ALERT_3_C The ratio of expected to reported Tmax/Tmin(RR') is < 0.90 Tmin and Tmax reported: 0.747 0.940 Tmin(prime) and Tmax expected: 0.889 0.940 RR(prime) = 0.840 Please check that your absorption correction is appropriate. PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large ............. 0.84 PLAT432_ALERT_2_C Short Inter X...Y Contact O1 .. C7 .. 2.97 Ang.
Alert level G REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is correct. If it is not, please give the correct count in the _publ_section_exptl_refinement section of the submitted CIF. From the CIF: _diffrn_reflns_theta_max 27.50 From the CIF: _reflns_number_total 2874 Count of symmetry unique reflns 1529 Completeness (_total/calc) 187.97% TEST3: Check Friedels for noncentro structure Estimate of Friedel pairs measured 1345 Fraction of Friedel pairs measured 0.880 Are heavy atom types Z>Si present yes
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 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 2 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion
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