Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.89
Alert level B
CELLV02_ALERT_1_B The supplied cell volume s.u. differs from that
calculated from the cell parameter s.u.'s by > 4
Calculated cell volume su = 23.03
Cell volume su given = 19.00
REFLT03_ALERT_3_B Reflection count < 90% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 27.36
From the CIF: _diffrn_reflns_theta_full 27.36
From the CIF: _reflns_number_total 2164
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 2431
Completeness (_total/calc) 89.02%
PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low .... 0.89
Alert level C
ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without
a literature citation. This should be contained in the
_exptl_absorpt_process_details field.
Absorption correction given as multi-scan
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ?
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K
PLAT391_ALERT_3_C Deviating Methyl C10 H-C-H Bond Angle ...... 101.00 Deg.
1 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 4 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion
