Alert level A
PLAT150_ALERT_1_A Volume as Calculated Differs from that Given ... 575.73 Ang-3
Alert level B
PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 100 PerFi
PLAT112_ALERT_2_B ADDSYM Detects Additional (Pseudo) Symm. Elem... m
Alert level C
STRVA01_ALERT_4_C Flack test results are ambiguous.
From the CIF: _refine_ls_abs_structure_Flack 0.480
From the CIF: _refine_ls_abs_structure_Flack_su 0.040
PLAT033_ALERT_4_C Flack Parameter Value Deviates from Zero ....... 0.48
PLAT732_ALERT_1_C Angle Calc 118.1(5), Rep 118.13(16) ...... 3.12 su-Ra
C9 -SI1 -C8 1.555 1.555 1.555
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
I
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 27.47
From the CIF: _reflns_number_total 2582
Count of symmetry unique reflns 1431
Completeness (_total/calc) 180.43%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 1151
Fraction of Friedel pairs measured 0.804
Are heavy atom types Z>Si present yes
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 1 ALERT level G = General alerts; check 2 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
