Alert level A
REFLT03_ALERT_3_A Reflection count > 15% excess reflns - sys abs data present?
From the CIF: _diffrn_reflns_theta_max 27.48
From the CIF: _diffrn_reflns_theta_full 27.48
From the CIF: _reflns_number_total 16853
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 5563
Completeness (_total/calc) 302.95%
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.88
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 5.88 Ratio
PLAT021_ALERT_1_A Ratio Unique / Expected Reflections too High ... 3.03
Alert level C
RFACG01_ALERT_3_C The value of the R factor is > 0.10
R factor given 0.109
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.289
PLAT082_ALERT_2_C High R1 Value .................................. 0.11
PLAT084_ALERT_2_C High R2 Value .................................. 0.29
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 9
Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 15.39
4 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 5 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 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 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
