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Acta Cryst. (2005). E61, o2368-o2371  [ doi:10.1107/S1600536805020167 ]

Hydrogen-bonding patterns in bis(trimethoprim) dipicolinate pentahydrate

M. Hemamalini, P. T. Muthiah, G. Bocelli and A. Cantoni

Online 6 July 2005


Key indicators

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Alert level B PLAT417_ALERT_2_B Short Inter D-H..H-D H12 .. H22 .. 1.91 Ang.
Alert level C PLAT026_ALERT_3_C Ratio Observed / Unique Reflections too Low .... 46 Perc. PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ .... ? PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical . ? PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature . 293 K PLAT220_ALERT_2_C Large Non-Solvent C Ueq(max)/Ueq(min) ... 3.41 Ratio PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for O2A PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for C23 PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor .... 2.99 PLAT420_ALERT_2_C D-H Without Acceptor N4B - H42B ... ?
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 10 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 4 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 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion

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