Alert level A
REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 27.48
From the CIF: _diffrn_reflns_theta_full 27.48
From the CIF: _reflns_number_total 3490
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 9602
Completeness (_total/calc) 36.35%
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.36
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.36
PLAT215_ALERT_3_A Disordered C13 has ADP max/min Ratio ..... 7.40
Alert level B
PLAT215_ALERT_3_B Disordered C10 has ADP max/min Ratio ..... 4.60
PLAT215_ALERT_3_B Disordered C20' has ADP max/min Ratio ..... 4.60
PLAT049_ALERT_1_B Calculated Density less than 1.0 gcm-3 ......... 0.63
Alert level C
PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.28
PLAT215_ALERT_3_C Disordered C3 has ADP max/min Ratio ..... 3.70
PLAT215_ALERT_3_C Disordered C11 has ADP max/min Ratio ..... 3.40
PLAT215_ALERT_3_C Disordered C10' has ADP max/min Ratio ..... 3.80
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.42 Ratio
PLAT952_ALERT_1_C Reported and Calculated Lmax Values Differ by .. 4
Alert level G
REFLT03_ALERT_1_G ALERT: Expected hkl max differ from CIF values
From the CIF: _diffrn_reflns_theta_max 27.48
From the CIF: _reflns_number_total 3490
From the CIF: _diffrn_reflns_limit_ max hkl 20. 11. 69.
From the CIF: _diffrn_reflns_limit_ min hkl -18. -9. -61.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 21. 11. 73.
Calculated minimum hkl -21. -11. -73.
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 50.00 Perc.
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50.00 Perc.
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 5
4 ALERT level A = In general: serious problem 3 ALERT level B = Potentially serious problem 6 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 3 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 12 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
