Alert level B
PLAT111_ALERT_2_B ADDSYM Detects (Pseudo) Centre of Symmetry ..... 89 PerFi
PLAT222_ALERT_3_B Large Non-Solvent H Ueq(max)/Ueq(min) ... 4.08 Ratio
PLAT340_ALERT_3_B Low Bond Precision on C-C Bonds (x 1000) Ang .. 12
PLAT415_ALERT_2_B Short Inter D-H..H-X H1 .. H9 .. 2.04 Ang.
PLAT415_ALERT_2_B Short Inter D-H..H-X H2B .. H19 .. 2.08 Ang.
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
unk
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.63 Ratio
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C1
PLAT241_ALERT_2_C Check High Ueq as Compared to Neighbors for C8
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for B1
PLAT194_ALERT_1_C Missing _cell_measurement_reflns_used datum .... ?
PLAT195_ALERT_1_C Missing _cell_measurement_theta_max datum .... ?
PLAT196_ALERT_1_C Missing _cell_measurement_theta_min datum .... ?
PLAT234_ALERT_4_C Large Hirshfeld Difference C1 -- B1 .. 0.17 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C1 -- B2 .. 0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C1 -- B5 .. 0.17 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference B2 -- B7 .. 0.18 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference B4 -- B10 .. 0.17 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C8 -- B14 .. 0.17 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference C8 -- B15 .. 0.16 Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference B15 -- B20 .. 0.17 Ang.
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 25.03
From the CIF: _reflns_number_total 2839
Count of symmetry unique reflns 2888
Completeness (_total/calc) 98.30%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 0
Fraction of Friedel pairs measured 0.000
Are heavy atom types Z>Si present no
PLAT343_ALERT_2_G Check sp? Angle Range in Main Residue for .. C1
PLAT343_ALERT_2_G Check sp? Angle Range in Main Residue for .. C8
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K
0 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 17 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 7 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 3 ALERT type 3 Indicator that the structure quality may be low 9 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
