Acta Cryst. (2009). E65, o369 [ doi:10.1107/S1600536809002311 ]
Online 23 January 2009
No syntax errors found
Alert level A THETM01_ALERT_3_A The value of sine(theta_max)/wavelength is less than 0.550 Calculated sin(theta_max)/wavelength = 0.5262
|Author Response: Diffraction was relatively weak. Data were collected to a maximum \q of 25\%, but only 976 of 2382 unique reflections (ca 41%) were observed at the 2\s(I) level to this resolution. The data were therefore truncated to a maximum resolution of 0.95 \%A, giving 901 of 1663 unique reflections (ca 54%) observed. As a consequence, the refined structure is of relatively low precision.|
PLAT023_ALERT_3_A Resolution (too) Low [sin(theta)/Lambda < 0.6].. 21.96 Deg.
|Author Response: as above.|
Alert level C Value of measurement temperature given = 293.000 Value of melting point given = 0.000 REFNR01_ALERT_3_C Ratio of reflections to parameters is < 10 for a centrosymmetric structure sine(theta)/lambda 0.5262 Proportion of unique data used 1.0000 Ratio reflections to parameters 9.1374 RFACR01_ALERT_3_C The value of the weighted R factor is > 0.25 Weighted R factor given 0.266 PLAT084_ALERT_2_C High R2 Value .................................. 0.27 PLAT088_ALERT_3_C Poor Data / Parameter Ratio .................... 9.14 PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C13 PLAT340_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ... 10 PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT234_ALERT_4_C Large Hirshfeld Difference O2 -- C3 .. 0.12 Ang.
Alert level G PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 = 3 PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature . 293 K
2 ALERT level A = In general: serious problem 0 ALERT level B = Potentially serious problem 8 ALERT level C = Check and explain 3 ALERT level G = General alerts; check 3 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 2 ALERT type 2 Indicator that the structure model may be wrong or deficient 6 ALERT type 3 Indicator that the structure quality may be low 2 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check
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