Alert level A
PLAT780_ALERT_1_A Coordinates do not Form a Properly Connected Set ?
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent O Ueq(max)/Ueq(min) ... 4.88 Ratio
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X) Cu2 -- O2W .. 12.76 su
Alert level C
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N21
PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 7
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)... ?
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:C36 H36 Cu4 N12 O20
Atom count from the _atom_site data: C36 H28 Cu4 N12 O20
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 2
From the CIF: _chemical_formula_sum C36 H36 Cu4 N12 O20
TEST: Compare cell contents of formula and atom_site data
atom Z*formula cif sites diff
C 72.00 72.00 0.00
H 72.00 56.00 16.00
Cu 8.00 8.00 0.00
N 24.00 24.00 0.00
O 40.00 40.00 0.00
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 3
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
1 ALERT level A = In general: serious problem 2 ALERT level B = Potentially serious problem 5 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 6 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 4 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 1 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
