Alert level A
PLAT035_ALERT_1_A No _chemical_absolute_configuration info given . ?
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level C
ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without
a literature citation. This should be contained in the
_exptl_absorpt_process_details field.
Absorption correction given as multi-scans
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 1.400
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 1.40
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
C15 H17 N O4
Alert level G
ABSTY01_ALERT_1_G Extra text has been found in the _exptl_absorpt_correction_type
field, which should be only a single keyword. A literature
citation should be included in the _exptl_absorpt_process_details
field.
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 2916
Count of symmetry unique reflns 1670
Completeness (_total/calc) 174.61%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1246
Fraction of Friedel pairs measured 0.746
Are heavy atom types Z>Si present no
PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical . ?
PLAT791_ALERT_4_G The Model has Chirality at C4 (Verify) .... S
PLAT791_ALERT_4_G The Model has Chirality at C6 (Verify) .... R
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 5 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 7 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
