Alert level A
REFLT03_ALERT_3_A Reflection count < 85% complete (theta max?)
From the CIF: _diffrn_reflns_theta_max 24.97
From the CIF: _diffrn_reflns_theta_full 24.97
From the CIF: _reflns_number_total 2617
TEST2: Reflns within _diffrn_reflns_theta_max
Count of symmetry unique reflns 3903
Completeness (_total/calc) 67.05%
PLAT022_ALERT_3_A Ratio Unique / Expected Reflections too Low .... 0.67
PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.67
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.86 Ratio
PLAT221_ALERT_2_A Large Solvent/Anion C Ueq(max)/Ueq(min) ... 10.00 Ratio
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 6.03 Ratio
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.
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 3.00
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20'
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C20
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 9
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings Differ ?
PLAT076_ALERT_1_C Occupancy 0.50 less than 1.0 for Sp.pos . C33
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ... O30
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ... C31
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ... C30
PLAT161_ALERT_4_C Missing or Zero su (esd) on x-coordinate for ... C32
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ... O30
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ... C31
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ... C30
PLAT162_ALERT_4_C Missing or Zero su (esd) on y-coordinate for ... C32
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ... O30
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ... C31
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ... C30
PLAT163_ALERT_4_C Missing or Zero su (esd) on z-coordinate for ... C32
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 C20' -- C21' .. 0.22 Ang.
PLAT244_ALERT_4_C Low 'Solvent' Ueq as Compared to Neighbors of C31
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
C7 O2
Alert level G
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.13
PLAT301_ALERT_3_G Note: Main Residue Disorder ................... 7.00 Perc.
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints ....... 34
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50.00 Perc.
PLAT793_ALERT_4_G The Model has Chirality at P1 (Verify) .... S
PLAT811_ALERT_5_G No ADDSYM Analysis: Too Many Excluded Atoms .... !
6 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 27 ALERT level C = Check and explain 6 ALERT level G = General alerts; check 8 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 6 ALERT type 2 Indicator that the structure model may be wrong or deficient 7 ALERT type 3 Indicator that the structure quality may be low 17 ALERT type 4 Improvement, methodology, query or suggestion 1 ALERT type 5 Informative message, check
