Alert level A
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.92
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 6.52 Ratio
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.86 Ratio
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 6.54 Ratio
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C38
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C43
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C81
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C86
Alert level B
PLAT213_ALERT_2_B Atom C38 has ADP max/min Ratio ..... 4.80 prola
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.96 Ratio
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C39
PLAT601_ALERT_2_B Structure Contains Solvent Accessible VOIDS of . 159.00 A**3
Alert level C
REFLT03_ALERT_3_C Reflection count < 95% complete
From the CIF: _diffrn_reflns_theta_max 25.03
From the CIF: _diffrn_reflns_theta_full 25.03
From the CIF: _reflns_number_total 12262
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 13276
Completeness (_total/calc) 92.36%
PLAT022_ALERT_3_C Ratio Unique / Expected Reflections too Low .... 0.92
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.41
PLAT213_ALERT_2_C Atom C43 has ADP max/min Ratio ..... 3.80 prola
PLAT213_ALERT_2_C Atom C81 has ADP max/min Ratio ..... 3.10 prola
PLAT213_ALERT_2_C Atom C86 has ADP max/min Ratio ..... 4.00 prola
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C37
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C42
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C82
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C85
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 10
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C38 - C39 ... 1.38 Ang.
PLAT360_ALERT_2_C Short C(sp3)-C(sp3) Bond C85 - C86 ... 1.42 Ang.
PLAT411_ALERT_2_C Short Inter H...H Contact H34 .. H80 .. 2.13 Ang.
PLAT420_ALERT_2_C D-H Without Acceptor N2 - H2 ... ?
PLAT420_ALERT_2_C D-H Without Acceptor N4 - H4A ... ?
PLAT153_ALERT_1_C The su's on the Cell Axes are Equal (x 100000) 500 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C38 -- C39 .. 0.16 Ang.
Alert level G
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 13.81
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal (x 10000) 500 Deg.
PLAT793_ALERT_4_G The Model has Chirality at C9 (Verify) .... R
PLAT793_ALERT_4_G The Model has Chirality at C52 (Verify) .... R
8 ALERT level A = In general: serious problem 4 ALERT level B = Potentially serious problem 18 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 23 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
