Data sets

Comprehensive data collection for more than 6000 binary and multicomponent mixtures at moderate pressures. Data correlation and consistency tests are given for each data set. 

A. The first four data cards contain control parameters which are read only once for a series of binary VLE data sets. 

At the development planning stage, a reservoir mode/will have been constructed and used to determine the optimum method of recovering the hydrocarbons from the reservoir. The criteria for the optimum solution will most likely have been based on profitability and safety. The model Is Initially based upon a limited data set (perhaps a seismic survey, and say five exploration and appraisal wells) and will therefore be an approximation of the true description of the field. As development drilling and production commence, further data is collected and used to update both the geological model (the description of the structure, environment of deposition, diagenesis and fluid distribution) and the reservoir model (the description of the reservoir under dynamic conditions). 

However, more experiments using a wider range of stress ratios will be required to achieve a more complete data set, in order to verify the validity of the model under a wide range of stress conditions. 

When network weights have been trained to appropriate values, the NSC is ready to start classifying. The data set to be classified is specified in the same manner as previously used for the training and validation sets. The classifier is applied to data through the use of a menu and generates a list including filenames, suggested class and the neuron outputs from the output layer (used for decision). The result is currently presented in a simple text editor, from which it can be saved and included in other documents. 

The three introduced network structures were trained with the training data set and tested with the test dataset. The backpropagation network reaches its best classification result after 70000 training iterations ... 

The Fuzzy-ARTMAP network reaehes the best learning rate of the training data set. This is recognised perfectly with 100% correctness. The exact results are presented in the next table ... 

The data volume, which can be imported as data block or single slices, can be cutted or rebinned (e.g. if the data set is very large) and interpolated (e.g. interpolating intermediate slices between measured CT cuts in the case of 2D-CT). 

The filter according equation (1) allows a practical application of a second derivative, because it has only the noise amplification like a first derivative. This is shown in fig. 3 on a experimental data set. The SNR of the true second derivative is too low for correct edge detection, whereas the CT filter gives reliable results. 

Before the data can be visualised, ie displayed in a two or three-dimensional representation, the ultrasonic responses from the interior of the test-piece must be reconstructed from the raw ultrasonic data. The reconstruction process projects ultrasonic indications into 3D space. As well as reconstructing the entire ultrasonic data set within an acquisition file, it is possible to define an arbitrary sub-volume of the test object over which reconstruction will take place. The image resolution may also be defined by the user. Clearly, larger volumes or greater resolution will increase the computation time for both the reconstruction and visualisation processes. 

Figure 5 shows the display in the measure mode. It consists of a detailed A-scan window and a number of smaller windows for display parameters and inspection parameters. The A-scan display may be used as a stand-alone tool or as a tool for measuring parameters required for a specific inspection, e.g. probe parameters, reference echoes, and depth compensation with automatic transfer to the data set. 

It can also provide a full documentation of data set parameters. 

Based on a preliminary set of acceptance criteria s developed by LM Glasfiber a standard data-set has been developed for each of the above mentioned set-ups, in order to minimize the scanning time. During the performance demonstration at LM Glasfiber the effective scanning time for a complete 21m wind turbine rotor blade based on the preliminary acceptance criteria s, was found to be less than hour. 

With the wealth of infonnation contained in such two-dimensional data sets and with the continued improvements in technology, the Raman echo and quasi-echo techniques will be the basis for much activity and will undoubtedly provide very exciting new insights into condensed phase dynamics in simple molecular materials to systems of biological interest. 

For quadnipolar nuclei, the dependence of the pulse response on Vq/v has led to the development of quadnipolar nutation, which is a two-dimensional (2D) NMR experiment. The principle of 2D experiments is that a series of FIDs are acquired as a fimction of a second time parameter (e.g. here the pulse lengdi applied). A double Fourier transfomiation can then be carried out to give a 2D data set (FI, F2). For quadnipolar nuclei while the pulse is on the experiment is effectively being carried out at low field with the spin states detemiined by the quadnipolar interaction. In the limits Vq v the pulse response lies at v and... 

Flow which fluctuates with time, such as pulsating flow in arteries, is more difficult to experimentally quantify than steady-state motion because phase encoding of spatial coordinate(s) and/or velocity requires the acquisition of a series of transients. Then a different velocity is detected in each transient. Hence the phase-twist caused by the motion in the presence of magnetic field gradients varies from transient to transient. However if the motion is periodic, e.g., v(r,t)=VQsin (n t +( )q] with a spatially varying amplitude Vq=Vq(/-), a pulsation frequency co =co (r) and an arbitrary phase ( )q, the phase modulation of the acquired data set is described as follows ... 

U. Hobohra, M. Scharf, R. Schneider and G. Sander, Selection of representative protein data sets. Protein Sci. 1 (1992), 409-417. 

The primal advantage of hierarchical databases is that the relationship between the data at the different levels is easy. The simplicity and efficiency of the data model is a great advantage of the hierarchical DBS. Large data sets (scries of measurements where the data values are dependent on different parameters such as boiling point, temperature, or pressure) could be implemented with an acceptable response time. 

This database provides thermophysical property data (phase equilibrium data, critical data, transport properties, surface tensions, electrolyte data) for about 21 000 pure compounds and 101 000 mixtures. DETHERM, with its 4.2 million data sets, is produced by Dechema, FIZ Chcmic (Berlin, Germany) and DDBST GmhH (Oldenburg. Germany). Definitions of the more than SOO properties available in the database can be found in NUMERIGUIDE (sec Section 5.18). 

Specinfo has an additional tool for calculating NMR spectra that is based on the data sets of the compounds contained in the database. This leads to quite reliable calculated spectral parameters for the compound classes which are registered in the database. 

Completeness and non-redundancy. Does the strategy guarantee to find all and only those solutions which are in the data set ... 

This structure encoding method has been applied both for the classification of a data set comprising 31 corticosteroids, for which affinity data were available in the literature, binding to the corticosteroid-binding globulin (CBG) receptor, and for the simulation of infrared spectra [28, 29). 

Twenty-eight chiral compounds were separated from their enantiomers by HPLC on a teicoplanin chiral stationary phase. Figure 8-12 shows some of the structures contained in the data set. This is a very complex stationary phase and modeling of the possible interactions with the analytes is impracticable. In such a situation, learning from known examples seemed more appropriate, and the chirality code looked quite appealing for representing such data. 

Chemical data contain information about various characteristics of chemical compounds and a wide spectrum of methods are applied to extract the relevant information from the data sets. Data analysis, however, not only deals with the extraction of primary information from data but also with the generation of secondary... 

To enable the application of electronic data analysis methods, the chemical structures have to be coded as vectors see Chapter 8). Thus, a chemical data set consists of data vectors, where each vector, i.e., each data object, represents one chemical structure. 

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