Alert level A
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 6.08 Ratio
PLAT241_ALERT_2_A Check High Ueq as Compared to Neighbors for C9
PLAT773_ALERT_2_A Suspect C-C Bond in CIF: C8 -- C9 .. 1.79 Ang.
Alert level B
PLAT220_ALERT_2_B Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.93 Ratio
PLAT230_ALERT_2_B Hirshfeld Test Diff for C9 -- C10 .. 17.17 su
PLAT241_ALERT_2_B Check High Ueq as Compared to Neighbors for C7
PLAT242_ALERT_2_B Check Low Ueq as Compared to Neighbors for C8'
PLAT352_ALERT_3_B Short N-H Bond (0.87A) N5 - H5N ... 0.64 Ang.
Alert level C
ABSTY02_ALERT_1_C An _exptl_absorpt_correction_type has been given without
a literature citation. This should be contained in the
_exptl_absorpt_process_details field.
Absorption correction given as multi-scans
PLAT213_ALERT_2_C Atom C9 has ADP max/min Ratio ............. 3.60 prola
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N6
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C10
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 6
PLAT367_ALERT_2_C Long? C(sp?)-C(sp?) Bond C9 - C10 ... 1.62 Ang.
PLAT410_ALERT_2_C Short Intra H...H Contact H10B .. H8B .. 1.90 Ang.
PLAT411_ALERT_2_C Short Inter H...H Contact H8'2 .. H5A .. 2.14 Ang.
PLAT431_ALERT_2_C Short Inter HL..A Contact Cl4 .. O4 .. 3.07 Ang.
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 3.00 Sigma
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 Neighbours of C20
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C H Cl3
Alert level G
ABSTY01_ALERT_1_G Extra text has been found in the _exptl_absorpt_correction_type
field, which should be only a single keyword. A literature
citation should be included in the _exptl_absorpt_process_details
field.
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 27.48
From the CIF: _reflns_number_total 7818
Count of symmetry unique reflns 4479
Completeness (_total/calc) 174.55%
TEST3: Check Friedels for noncentro structure
Estimate of Friedel pairs measured 3339
Fraction of Friedel pairs measured 0.745
Are heavy atom types Z>Si present yes
PLAT301_ALERT_3_G Note Main Residue Disorder .................... 2.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 25
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels .......... 2
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ...... 42.20 Deg.
C8' -C9 -C8 1.555 1.555 1.555
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ...... 34.72 Deg.
N1 -P1 -P2 1.555 1.555 1.555
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ...... 34.38 Deg.
N1 -P2 -P1 1.555 1.555 1.555
3 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 14 ALERT level C = Check and explain 8 ALERT level G = General alerts; check 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 13 ALERT type 2 Indicator that the structure model may be wrong or deficient 5 ALERT type 3 Indicator that the structure quality may be low 8 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
