Alert level A
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level B
PLAT024_ALERT_4_B Merging of Friedel Pairs is STRONGLY Indicated . !
Alert level C
STRVA01_ALERT_4_C Flack test results are meaningless.
From the CIF: _refine_ls_abs_structure_Flack 0.700
From the CIF: _refine_ls_abs_structure_Flack_su 0.700
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 0.70
PLAT033_ALERT_2_C Flack Parameter Value Deviates from Zero ....... 0.70
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
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 27.49
From the CIF: _reflns_number_total 3218
Count of symmetry unique reflns 1720
Completeness (_total/calc) 187.09%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1498
Fraction of Friedel pairs measured 0.871
Are heavy atom types Z>Si present no
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 4 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 1 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion
