Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.85
Alert level B
REFLT03_ALERT_3_B Reflection count < 90% 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 4705
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 5526
Completeness (_total/calc) 85.14%
PLAT022_ALERT_3_B Ratio Unique / Expected Reflections too Low .... 0.85
Alert level C
RFACG01_ALERT_3_C The value of the R factor is > 0.10
R factor given 0.101
RINTA01_ALERT_3_C The value of Rint is greater than 0.12
Rint given 0.177
PLAT020_ALERT_3_C The value of Rint is greater than 0.12 ......... 0.18
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 12
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 43.00 A**3
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 2.80 Sigma
PLAT951_ALERT_1_C Reported and Calculated Kmax Values Differ by .. 3
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 4705
From the CIF: _diffrn_reflns_limit_ max hkl 18. 16. 15.
From the CIF: _diffrn_reflns_limit_ min hkl -18. -14. -15.
TEST1: Expected hkl limits for theta max
Calculated maximum hkl 18. 19. 15.
Calculated minimum hkl -18. -19. -15.
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 11.54
PLAT793_ALERT_4_G The Model has Chirality at C2 (Verify) .... S
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 3 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 7 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
