Alert level B
PLAT412_ALERT_2_B Short Intra XH3 .. XHn H8C .. H10B .. 1.74 Ang.
Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.2 Ratio
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.1 Ratio
PLAT230_ALERT_2_C Hirshfeld Test Diff for C22 -- C23 .. 5.2 su
PLAT234_ALERT_4_C Large Hirshfeld Difference C21 -- C22 .. 0.16 Ang.
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 C16
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C21
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0062 Ang
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 6
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 211
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF .... 3
PLAT915_ALERT_3_C Low Friedel Pair Coverage ...................... 79 Perc.
Alert level G
REFLT03_ALERT_4_G Please check that the estimate of the number of Friedel pairs is
correct. If it is not, please give the correct count in the
_publ_section_exptl_refinement section of the submitted CIF.
From the CIF: _diffrn_reflns_theta_max 28.30
From the CIF: _reflns_number_total 5694
Count of symmetry unique reflns 3392
Completeness (_total/calc) 167.87%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 2302
Fraction of Friedel pairs measured 0.679
Are heavy atom types Z>Si present yes
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ?
PLAT063_ALERT_4_G Crystal Size Likely too Large for Beam Size .... 0.90 mm
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3
PLAT194_ALERT_1_G Missing _cell_measurement_reflns_used datum .... ?
PLAT242_ALERT_2_G Check Low Ueq as Compared to Neighbors for C10
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 6 Perc.
PLAT790_ALERT_4_G Centre of Gravity not Within Unit Cell: Resd. # 2
C12 H17 N O2 S
PLAT791_ALERT_4_G Note: The Model has Chirality at C21 (Verify) S
0 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 13 ALERT level C = Check. Ensure it is not caused by an omission or oversight 9 ALERT level G = General information/check it is not something unexpected 1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 8 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 7 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
