Alert level A
REFLT03_ALERT_3_A Reflection count > 15% excess reflns - sys abs data present?
From the CIF: _diffrn_reflns_theta_max 26.10
From the CIF: _diffrn_reflns_theta_full 26.10
From the CIF: _reflns_number_total 25553
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 10936
Completeness (_total/calc) 233.66%
PLAT021_ALERT_1_A Ratio Unique / Expected Reflections too High ... 2.34
Alert level B
REFLT01_ALERT_1_B The number of symmetry-independent reflections cannot
exceed the total number of reflections measured
Number of symmetry-independent reflections = 25553
Total number of reflections = 25550
SHFSU01_ALERT_2_B The absolute value of parameter shift to su ratio > 0.10
Absolute value of the parameter shift to su ratio given 0.104
Additional refinement cycles may be required.
Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.74 Ratio
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.83 Ratio
PLAT431_ALERT_2_C Short Inter HL..A Contact Cl6 .. O1 .. 3.08 Ang.
PLAT601_ALERT_2_C Structure Contains Solvent Accessible VOIDS of . 32.00 A**3
PLAT030_ALERT_1_C _diffrn_reflns_number .LE. _reflns_number_total ?
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C48
Alert level G
ABSMU_01 Radiation type not identified. Calculation of
_exptl_absorpt_correction_mu not performed.
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.13
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 8.38
PLAT092_ALERT_4_G Check: Wavelength given is not Cu,Mo or Ag Ka .. 0.69 Ang.
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 7.00 Perc.
2 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 4 ALERT level G = General alerts; check 5 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 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 3 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
