Alert level A
SYMM001_ALERT_1_A _symmetry_cell_setting is missing
The cell setting should be one of the following
* triclinic
* monoclinic
* orthorhombic
* tetragonal
* rhombohedral
* trigonal
* hexagonal
* cubic
The following tests will not be performed.
SYMMS_01,SYMMS_02
EXPT005_ALERT_1_A _exptl_crystal_description is missing
Crystal habit description.
The following tests will not be performed.
CRYSR_01
DIFF003_ALERT_1_A _diffrn_measurement_device_type is missing
Diffractometer make and type. Replaces _diffrn_measurement_type.
ATOM007_ALERT_1_A _atom_site_aniso_label is missing
Unique label identifying the atom site.
GEOM001_ALERT_1_A _geom_bond_atom_site_label_1 is missing
Label identifying the atom site 1.
GEOM002_ALERT_1_A _geom_bond_atom_site_label_2 is missing
Label identifying the atom site 2.
GEOM003_ALERT_1_A _geom_bond_distance is missing
Distance between atom sites 1 and 2.
GEOM006_ALERT_1_A _geom_angle_atom_site_label_2 is missing
Label identifying the atom site 2.
GEOM007_ALERT_1_A _geom_angle_atom_site_label_3 is missing
Label identifying the atom site 3.
GEOM008_ALERT_1_A _geom_angle is missing
Angle between atom sites 1, 2 and 3.
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full value Low . 0.000 Why?
PLAT043_ALERT_1_A Calculated and Reported Mol. Weight Differ by .. 5303.19 Check
PLAT183_ALERT_1_A Missing _cell_measurement_reflns_used Value .... Please Do !
PLAT184_ALERT_1_A Missing _cell_measurement_theta_min Value .... Please Do !
PLAT185_ALERT_1_A Missing _cell_measurement_theta_max Value .... Please Do !
PLAT197_ALERT_1_A Missing _cell_measurement_temperature Datum .... Please Add
PLAT198_ALERT_1_A Missing _diffrn_ambient_temperature Datum .... Please Add
Pt1 Pt2 Pt3 Pt4 Pt5 Pt6 Pt7 Pt8
Pt9 Pt10 Pt11 Pt12 Pt13 Pt14 Pt15 Pt16
Pt17 Pt18 Pt19 Pt20 Pt21 Pt22 Pt23 Pt24
Pt25 Pt26 Pt27 Pt28 Pt29 Pt30 Pt31 Pt32
Pt33 Pt34 Pt35 Pt36 Pt37 Pt38 Pt39 Pt40
Pt41 Pt42 Pt43 Pt44 Pt45 Pt46 Pt47 Pt48
Pt49 Pt50 Pt51 Pt52 Pt53 Pt54 O1 O2
PLAT602_ALERT_2_A Solvent Accessible VOID(S) in the Unit-Cell .... ! Check
PLAT699_ALERT_1_A Missing _exptl_crystal_description Value ....... Please Do !
PLAT880_ALERT_1_A No datum for _diffrn_reflns_number supplied .... Please Do !
PLAT881_ALERT_1_A No Datum for _diffrn_reflns_av_R_equivalents ... Please Do !
Alert level B
PLAT420_ALERT_2_B D-H Bond Without Acceptor O1 --H1 . Please Check
PLAT420_ALERT_2_B D-H Bond Without Acceptor O1 --H2 . Please Check PLAT420_ALERT_2_B D-H Bond Without Acceptor O2 --H3 . Please Check PLAT420_ALERT_2_B D-H Bond Without Acceptor O2 --H4 . Please Check PLAT420_ALERT_2_B D-H Bond Without Acceptor O3 --H5 . Please Check PLAT420_ALERT_2_B D-H Bond Without Acceptor O3 --H6 . Please Check PLAT420_ALERT_2_B D-H Bond Without Acceptor O4 --H7 . Please Check PLAT420_ALERT_2_B D-H Bond Without Acceptor O4 --H8 . Please Check
Alert level C
PLAT034_ALERT_1_C No Flack Parameter Given. Z > Si, NonCentro .... Please Do !
PLAT141_ALERT_4_C s.u. on a - Axis Small or Missing .............. 0.00000 Ang.
PLAT142_ALERT_4_C s.u. on b - Axis Small or Missing .............. 0.00000 Ang.
PLAT143_ALERT_4_C s.u. on c - Axis Small or Missing .............. 0.00000 Ang.
PLAT144_ALERT_4_C s.u. on alpha Small or Missing .............. 0.0000 Degree
PLAT145_ALERT_4_C s.u. on beta Small or Missing .............. 0.0000 Degree
PLAT146_ALERT_4_C s.u. on gamma Small or Missing .............. 0.0000 Degree
PLAT151_ALERT_1_C No s.u. (esd) Given on Volume .................. Please Do !
PLAT155_ALERT_4_C The Triclinic Unit-Cell is NOT Reduced ......... Please Do !
PLAT202_ALERT_3_C Isotropic non-H Atoms in Anion/Solvent ......... 2 Check
O3 O4
Alert level G
PLAT004_ALERT_5_G Polymeric Structure Found with Maximum Dimension 2 Info
PLAT005_ALERT_5_G No Embedded Refinement Details Found in the CIF Please Do !
PLAT007_ALERT_5_G Number of Unrefined Donor-H Atoms .............. 8 Report
H1 H2 H3 H4 H5 H6 H7 H8
PLAT045_ALERT_1_G Calculated and Reported Z Differ by a Factor ... 0 Check
PLAT104_ALERT_1_G The Reported Crystal System is Inconsistent with P1 Check
PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem 3 94 %Fit
PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem m 94 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem m 94 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem m 96 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem a/3 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem b/3 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem 441 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem sub 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem 3 94 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem m 94 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem m 94 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem m 96 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem a/3 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem b/3 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem 441 93 %Fit PLAT112_ALERT_2_G ADDSYM Detects New (Pseudo) Symm. Elem sub 93 %Fit
21 ALERT level A = Most likely a serious problem - resolve or explain 8 ALERT level B = A potentially serious problem, consider carefully 10 ALERT level C = Check. Ensure it is not caused by an omission or oversight 26 ALERT level G = General information/check it is not something unexpected 26 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 25 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 7 ALERT type 4 Improvement, methodology, query or suggestion 5 ALERT type 5 Informative message, check
