Alert level A
PLAT035_ALERT_1_A No _chemical_absolute_configuration info given . ?
Alert level B
PLAT024_ALERT_4_B Merging of Friedel Pairs is STRONGLY Indicated . !
Alert level C
ABSTY03_ALERT_1_C The _exptl_absorpt_correction_type has been given as none.
However values have been given for Tmin and Tmax. Remove
these if an absorption correction has not been applied.
From the CIF: _exptl_absorpt_correction_T_min 0.931
From the CIF: _exptl_absorpt_correction_T_max 0.991
STRVA01_ALERT_2_C Chirality of atom sites is inverted?
From the CIF: _refine_ls_abs_structure_Flack 0.800
From the CIF: _refine_ls_abs_structure_Flack_su 0.900
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low ....... 0.98
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 0.90
PLAT033_ALERT_4_C Flack Parameter Value Deviates from Zero ....... 0.80
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
C4 H6 O6
Alert level G
ABSMU_01 Radiation type not identified. Calculation of
_exptl_absorpt_correction_mu not performed.
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 26.59
From the CIF: _reflns_number_total 2167
Count of symmetry unique reflns 1318
Completeness (_total/calc) 164.42%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 849
Fraction of Friedel pairs measured 0.644
Are heavy atom types Z>Si present no
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C2 ... S
PLAT791_ALERT_4_G Confirm the Absolute Configuration of C3 ... S
1 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 3 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 1 ALERT type 3 Indicator that the structure quality may be low 7 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
