Alert level C
RFACG01_ALERT_3_C The value of the R factor is > 0.10
R factor given 0.102
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.267
PLAT084_ALERT_2_C High R2 Value .................................. 0.27
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 10
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 1925
Count of symmetry unique reflns 1944
Completeness (_total/calc) 99.02%
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
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.11
PLAT791_ALERT_4_G The Model has Chirality at C3 (Verify) .... S
PLAT791_ALERT_4_G The Model has Chirality at C5 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C6 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C7 (Verify) .... S
PLAT791_ALERT_4_G The Model has Chirality at C8 (Verify) .... R
PLAT791_ALERT_4_G The Model has Chirality at C9 (Verify) .... R
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 4 ALERT level C = Check and explain 8 ALERT level G = General alerts; check 0 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 3 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
