Alert level C
PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.44 Ratio
PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.42 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Pb1 -- O13_a .. 6.02 su
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for O11
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for Pb1
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for S11
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17A
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C17B
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 18
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 2.00 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)... ?
PLAT152_ALERT_1_C The Supplied and Calc. Volume s.u. Differ by ... 2 Units
PLAT234_ALERT_4_C Large Hirshfeld Difference S11 -- C11 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference S17A -- O17A .. 0.16 Ang.
Alert level G
FORMU01_ALERT_2_G There is a discrepancy between the atom counts in the
_chemical_formula_sum and the formula from the _atom_site* data.
Atom count from _chemical_formula_sum:C24 H18 F18 N10 O22 Pb4 S6
Atom count from the _atom_site data: C24 H14 F18 N10 O22 Pb4 S6
CELLZ01_ALERT_1_G Difference between formula and atom_site contents detected.
CELLZ01_ALERT_1_G WARNING: H atoms missing from atom site list. Is this intentional?
From the CIF: _cell_formula_units_Z 1
From the CIF: _chemical_formula_sum C24 H18 F18 N10 O22 Pb4 S6
TEST: Compare cell contents of formula and atom_site data
atom Z*formula cif sites diff
C 24.00 24.00 0.00
H 18.00 14.00 4.00
F 18.00 18.00 0.00
N 10.00 10.00 0.00
O 22.00 22.00 0.00
Pb 4.00 4.00 0.00
S 6.00 6.00 0.00
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 6.85
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 18.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 126
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
0 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 7 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 10 ALERT type 2 Indicator that the structure model may be wrong or deficient 3 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
