High-quality data generation

The measurement of transport numbers by the above electrochemical methods entails a significant amount of experimental effort to generate high-quality data. In addition, the methods do not appear applicable to many of the newer non-haloalu-minate ionic liquid systems. An interesting alternative to the above method utilizes the NMR-generated self-diffusion coefficient data discussed above. If both the cation (Dr+) and anion (Dx ) self-diffusion coefficients are measured, then both the cation (tR+) and anion (tx ) transport numbers can be determined by using the following Equations (3.6-6) and (3.6-7) [41, 44] ... 

Transition matrix estimators have received less attention than the multicanonical and Wang-Landau methods, but have been applied to a small collection of informative examples. Smith and Bruce [111, 112] applied the transition probability approach to the determination of solid-solid phase coexistence in a square-well model of colloids. Erring ton and coworkers [113, 114] have also used the method to determine liquid-vapor and solid-liquid [115] equilibria in the Lennard-Jones system. Transition matrices have also been used to generate high-quality data for the evaluation of surface tension [114, 116] and for the estimation of order parameter weights in phase-switch simulations [117]. 

This chapter is published with the permission of the director of the British Geological Survey (NERC). The authors also wish to acknowledge the efforts of several generations of geology students who have worked as voluntary workers collecting samples for the G-BASE project. Their efforts working to strict procedures have ensured that the G-BASE project output is based on data of high quality and reliability. We appreciate the constructive reviews from C. A. Palmer and an anonymous referee. 

The rapid LC methods employed for array analysis produce typical peak widths at half-height of less than 2 s. It was immediately apparent that the scan rates achievable on a radiofrequency (RF) quadrupole mass spectrometer would not be sufficient to generate high-quality mass spectra that could be used to confirm the presence of a desired chemical entity. Alternatively, commercial orthogonal time-of-flight (TOF) mass spectrometers can acquire full scan profile data at rates approaching 10 Hz so that rapid switching between up to four streams becomes feasible. Therefore this approach was followed in our development of the novel interface based on the Micromass LCT instrument. 

A QStar Pulsar (Applied Biosystems, Foster City, CA, USA) hybrid QqTOF mass spectrometer equipped with an oMALDI (orthogonal MALDI) ion source and a nitrogen laser (337 nm) was used to generate high-quality MS and MS/ MS data. 

All three methods discussed above appear to provide equally high quality ionic liquid viscosity data. However, the rotational viscometer could potentially provide additional information concerning the Newtonian behavior of the ionic liquids. The capillary method has been by far the most commonly used to generate the ionic liquid viscosity data found in the literature. This is probably due to its low cost and relative ease of use. 

Thermal inversions make winter the most unfavorable season for clean air. Vast differences in air quality are found in the industrialized north, and the residential southwest regions. Particulate matter influences mainly the north, where industries, landfills, and the dried bed of Texcoco Lake are located. Sulfur oxides impinge primarily on the northeast and southwest. High carbon monoxide concentrations are found in heavy traffic areas such as the northwest. Ozone affects predominantly the southwest at any season. We have selected air quality records from data generated by stations registering the higher pollutant levels, as follows ... 

Generating valid in silico models requires high quality databases for model training. True values of VD in human require that the parameters are calculated from pharmacokinetic data measured after intravenous administration. From equation 7 above, calculation of VDSS requires that the dose that enters the bloodstream is known, which can only be guaranteed by intravenous... 

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