Alert level A
PLAT306_ALERT_2_A Isolated Oxygen Atom (H-atoms Missing ?) ....... O1
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as . mixed
Alert level B
PLAT031_ALERT_4_B Refined Extinction Parameter within Range ...... 1.50 Sigma
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-scans
DIFMX01_ALERT_2_C The maximum difference density is > 0.1*ZMAX*0.75
_refine_diff_density_max given = 1.451
Test value = 1.275
DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75
The relevant atom site should be identified.
SHFSU01_ALERT_2_C The absolute value of parameter shift to su ratio > 0.05
Absolute value of the parameter shift to su ratio given 0.063
Additional refinement cycles may be required.
PLAT080_ALERT_2_C Maximum Shift/Error ............................ 0.06
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.69
PLAT097_ALERT_2_C Large Reported Max. (Positive) Residual Density. 1.45 eA-3
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C9
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 5
PLAT420_ALERT_2_C D-H Without Acceptor N5 - H5 ... ?
PLAT420_ALERT_2_C D-H Without Acceptor N6 - H6 ... ?
PLAT420_ALERT_2_C D-H Without Acceptor N7 - H7 ... ?
PLAT432_ALERT_2_C Short Inter X...Y Contact C8 .. Cl1B .. 3.19 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 32.00 A**3
Alert level G
ABSTY01_ALERT_1_G Extra text has been found in the _exptl_absorpt_correction_type
field, which should be only a single keyword. A literature
citation should be included in the _exptl_absorpt_process_details
field.
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 10.49
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 12
PLAT066_ALERT_1_G Predicted and Reported Transmissions Identical . ?
PLAT302_ALERT_4_G Note Anion/Solvent Disorder .................... 25.00 Perc.
2 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 14 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 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
