Alert level A
PLAT220_ALERT_2_A Large Non-Solvent C Ueq(max)/Ueq(min) ... 5.96 Ratio
PLAT222_ALERT_3_A Large Non-Solvent H Ueq(max)/Ueq(min) ... 7.12 Ratio
PLAT413_ALERT_2_A Short Inter XH3 .. XHn H67A .. H67A .. 1.87 Ang.
PLAT601_ALERT_2_A Structure Contains Solvent Accessible VOIDS of . 241.00 A**3
Alert level B
DIFMX01_ALERT_2_B The maximum difference density is > 0.1*ZMAX*1.00
_refine_diff_density_max given = 0.829
Test value = 0.800
THETM01_ALERT_3_B The value of sine(theta_max)/wavelength is less than 0.575
Calculated sin(theta_max)/wavelength = 0.5556
PLAT097_ALERT_2_B Large Reported Max. (Positive) Residual Density 0.83 eA-3
PLAT230_ALERT_2_B Hirshfeld Test Diff for O5 -- C67 .. 7.72 su
PLAT230_ALERT_2_B Hirshfeld Test Diff for C3 -- C4 .. 7.18 su
Alert level C
CRYSC01_ALERT_1_C The word below has not been recognised as a standard
identifier.
unknown
CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour.
DIFMX02_ALERT_1_C The maximum difference density is > 0.1*ZMAX*0.75
The relevant atom site should be identified.
RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25
Weighted R factor given 0.255
PLAT084_ALERT_2_C High R2 Value .................................. 0.26
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.71
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O5
PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C31
PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang .. 5
PLAT041_ALERT_1_C Calc. and Reported SumFormula Strings Differ ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............ 0.50 Ratio
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 .... ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd. # 2
O
Alert level G
PLAT072_ALERT_2_G SHELXL First Parameter in WGHT Unusually Large.. 0.17
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large. 10.54
PLAT302_ALERT_4_G Note: Anion/Solvent Disorder ................... 50.00 Perc.
PLAT793_ALERT_4_G The Model has Chirality at C8 (Verify) .... S
PLAT793_ALERT_4_G The Model has Chirality at C19 (Verify) .... S
4 ALERT level A = In general: serious problem 5 ALERT level B = Potentially serious problem 15 ALERT level C = Check and explain 5 ALERT level G = General alerts; check 8 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 4 ALERT type 3 Indicator that the structure quality may be low 4 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
