Alert level C
STRVA01_ALERT_2_C Chirality of atom sites is inverted?
From the CIF: _refine_ls_abs_structure_Flack 2.000
From the CIF: _refine_ls_abs_structure_Flack_su 1.300
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 5
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 1.30
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio
Alert level G
REFLT03_ALERT_4_G ALERT: MoKa measured Friedel data cannot be used to
determine absolute structure in a light-atom
study EXCEPT under VERY special conditions.
It is preferred that Friedel data is merged in such cases.
From the CIF: _diffrn_reflns_theta_max 25.02
From the CIF: _reflns_number_total 2969
Count of symmetry unique reflns 1582
Completeness (_total/calc) 187.67%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1387
Fraction of Friedel pairs measured 0.877
Are heavy atom types Z>Si present no
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 2
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 2 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
