Alert level C
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C5
PLAT024_ALERT_4_C Merging of Friedel Pairs is Indicated .......... !
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula 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 1944
Count of symmetry unique reflns 1059
Completeness (_total/calc) 183.57%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 885
Fraction of Friedel pairs measured 0.836
Are heavy atom types Z>Si present no
PLAT791_ALERT_4_G The Model has Chirality at C7 (Verify) .... S
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 2 ALERT level G = General alerts; check 3 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
