Alert level C
STRVA01_ALERT_2_C Chirality of atom sites is inverted?
From the CIF: _refine_ls_abs_structure_Flack 10.000
From the CIF: _refine_ls_abs_structure_Flack_su 10.000
PLAT432_ALERT_2_C Short Inter X...Y Contact O20 .. C15 .. 3.00 Ang.
PLAT032_ALERT_4_C Std. Uncertainty in Flack Parameter too High ... 10.00
PLAT033_ALERT_4_C Flack Parameter Value Deviates from Zero ....... 10.00
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 1
C15 H15 F N4 O
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 27.48
From the CIF: _reflns_number_total 1781
Count of symmetry unique reflns 1786
Completeness (_total/calc) 99.72%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 0
Fraction of Friedel pairs measured 0.000
Are heavy atom types Z>Si present no
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 6 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 2 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
