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 0.200
From the CIF: _refine_ls_abs_structure_Flack_su 1.100
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 1.10
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 1555
Count of symmetry unique reflns 959
Completeness (_total/calc) 162.15%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 596
Fraction of Friedel pairs measured 0.621
Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 3 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 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 0 ALERT type 5 Informative message, check
