Alert level C
STRVA01_ALERT_4_C Flack test results are ambiguous.
From the CIF: _refine_ls_abs_structure_Flack 0.400
From the CIF: _refine_ls_abs_structure_Flack_su 0.120
PLAT062_ALERT_4_C Rescale T(min) & T(max) by ..................... 1.30
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 6
Alert level G
ABSTM02_ALERT_3_G When printed, the submitted absorption T values will be
replaced by the scaled T values. Since the ratio of scaled T's
is identical to the ratio of reported T values, the scaling
does not imply a change to the absorption corrections used in
the study.
Ratio of Tmax expected/reported 1.298
Tmax scaled 0.968 Tmin scaled 0.846
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 28.50
From the CIF: _reflns_number_total 4506
Count of symmetry unique reflns 2530
Completeness (_total/calc) 178.10%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1976
Fraction of Friedel pairs measured 0.781
Are heavy atom types Z>Si present yes
PLAT033_ALERT_2_G Flack Parameter Value Deviates 2 * su from zero. 0.40
PLAT792_ALERT_1_G Check the Absolute Configuration of C2 = ... S
PLAT792_ALERT_1_G Check the Absolute Configuration of C3 = ... S
PLAT792_ALERT_1_G Check the Absolute Configuration of C4 = ... R
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 1
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 7 ALERT level G = General alerts; check 3 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 3 ALERT type 3 Indicator that the structure quality may be low 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
