Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.93
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level C
REFLT03_ALERT_3_C Reflection count < 95% complete
From the CIF: _diffrn_reflns_theta_max 27.49
From the CIF: _diffrn_reflns_theta_full 27.49
From the CIF: _reflns_number_total 2501
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 2678
Completeness (_total/calc) 93.39%
RFACG01_ALERT_3_C The value of the R factor is > 0.10
R factor given 0.116
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.336
RINTA01_ALERT_3_C The value of Rint is greater than 0.10
Rint given 0.140
PLAT020_ALERT_3_C The value of Rint is greater than 0.10 ......... 0.14
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.93
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size ....... 0.70 mm
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT082_ALERT_2_C High R1 Value .................................. 0.12
PLAT084_ALERT_2_C High R2 Value .................................. 0.34
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 7
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 11 ALERT level C = Check and explain 0 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 9 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
