Reproducibility using computer

An example of the LWC reproducibility using computer control is shown in Figure 2 for a set of un-normalized traces. This represents much improvement over earlier results where manual controls were used. The improvement in LWC variability can be compared with that expected from the theoretically derived uncertainty using a model of... 

Humans should use computers to do functional work for them in the most efficient manner possible. However, we must not delude ourselves into thinking that the mere use of a computer to analyze adverse events will magically analyze these events in a systematic, efficient way. Computers do not automatically produce coherent, auditable results that can be subsequently reproduced with ease. Computers must be actively programmed through an iterative process involving tight communication between analysts and software developers until these processes are totally functional. 

We need to transition from quasi-computerized methods, in which the different elements of the analytical process are treated as discrete, paper report tasks, to a comprehensive informatics approach, in which the entire data collection and analysis is considered as a single reusable, extensible, auditable, and reproducible system. Informatics can be defined as the science of storing, manipulating, analyzing, and visualizing information using computer systems. [3]... 

FIGURE 20.9 Comparison of measured and modeled (FDS5) HRR forrail carmockup. (Adapted from Coles, A. et al., Using computer fire modeling to reproduce and predict FRP composite fire performance, in Composites Polycon 2009, American Composites Manufacturers Association, Tampa, FL, January 15-17, 2009.)... 

In case 3 the relative size of the particles (with respect to the computational cells) is large enough that they contain many hundreds or even thousands of computational cells. It should be noted that the geometry of the particles is not exactly represented by the computational mesh and special, approximate techniques (i.e., body force methods) have to be used to satisfy the appropriate boundary conditions for the continuous phase at the particle surface (see Pan and Banerjee, 1996b). Despite this approximate method, the empirically known dependence of the drag coefficient versus Reynolds number for an isolated sphere could be correctly reproduced using the body force method. Although these computations are at present limited to a relatively low number of particles they clearly have their utility because they can provide detailed information on fluid-particle interaction phenomena (i.e., wake interactions) in turbulent flows. 

Figure 20. Negatively stained image and reconstructions of fiber of HbS (hemoglobin S). (a) Micrograph of fiber of HbS prepared from a sickled cell by direct lysis with negative stain on the electron microscope grid, (b) Two-dimensional reconstruction of the fiber of HbS using computer reconstruction techniques with the maxima from the Fourier transform. The output is recorded from a Tektronix graphics terminal, (c) Two-dimensional reconstruction as in (b), but with only the maxima of the layer lines 1-6 of the Fourier transform used. Reproduced from ref. 238 (Dykes et al., Nature 1978, 272, 506) with permission of Macmillan Magazines.

Data processing is reproducible using a computer. Adequate software for chemometrics presents the signal obtained from analytical instruments as reproducible analytical information. The importance of obtaining a reproducible analytical process is its potential for automation and miniaturization. Miniaturization of the analytical process for electrometric analysis has been achieved for in vivo measurements. The use of electrometric analysis provides good reproducibility of analytical information. 

The relative specific impulse is also not highly sensitive to the method used for obtaining the heat of formation. For example, the trends in / observed in Tables I-III are in general well reproduced using heats of formation computed with the AMI procedure alone without the correction for crystal effects. 

Theoretical derivations are in general left out, as they are presented repeatedly in previous works. The necessary theory is instead illustrated by practical examples from the literature. Commonly used computer codes to evaluate experimental ESR data are described with examples. Internet addresses to download the software are given, whenever possible. Formulae employed in those programs are reproduced in appendices, when the original literature references are not easily available. The theory and the application parts are to a large extent independent of each other to allow study of a special subject. For reasons of easy access of data and diagrams several examples from the authors own work were employed to illustrate certain applications. Exercises included in the theoretical part are mainly concerned with spectra interpretations, as this is the key issue in the analysis of experimental data. 

Again, using the RSTOIC subroutine in ASPEN PLUS with a complete conversion of CO, the efflurat temperature is reduced to 337°C (639°F), a result that can be reproduced using the EXAM5-7.bkp file on the CD-ROM. The Sensitivity command can be used to compute the effluent temperature as a function of the H2/CO ratio, as in Exercise 5.8. ... 

Jedlovszky and Richardi 1999 Wallqvist and Mountain 1999 Panagiotopoulos 2000). These comparisons have shown that none of the models is able to give a satisfactory account of all three phases of water simultaneously. On the other hand, they demonstrated that many properties of aqueous systems can be qualitatively and even quantitatively reproduced in computer simulations irrespective of the interaction potential used, thus verifying the reliability of the models. 

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