Acta Cryst. (2012). E68, o811 [ doi:10.1107/S1600536812003479 ]
Online 24 February 2012
No syntax errors found
Alert level A PLAT029_ALERT_3_A _diffrn_measured_fraction_theta_full Low ....... 0.935
|Author Response: The crystal data was collected up to 0.73 \%A resolution, the crystal (the largest available) still diffracted quite weakly at high angle. On repeated crystallization we could get only small crystals which weakly diffracted. The data completeness we could get was only 93.6%.|
Alert level B PLAT026_ALERT_3_B Ratio Observed / Unique Reflections too Low .... 36 Perc.
Alert level C REFLT03_ALERT_3_C Reflection count < 95% complete From the CIF: _diffrn_reflns_theta_max 27.84 From the CIF: _diffrn_reflns_theta_full 27.84 From the CIF: _reflns_number_total 1834 TEST2: Reflns within _diffrn_reflns_theta_max Count of symmetry unique reflns 1959 Completeness (_total/calc) 93.62% PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C5 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.6 PLAT341_ALERT_3_C Low Bond Precision on C-C Bonds ............... 0.0100 Ang PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 1 PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L= 0.600 7 PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L= 0.600 98
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 1 PLAT195_ALERT_1_G Missing _cell_measurement_theta_max datum .... ? PLAT196_ALERT_1_G Missing _cell_measurement_theta_min datum .... ?
1 ALERT level A = Most likely a serious problem - resolve or explain 1 ALERT level B = A potentially serious problem, consider carefully 7 ALERT level C = Check. Ensure it is not caused by an omission or oversight 4 ALERT level G = General information/check it is not something unexpected 2 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 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check
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