The Software

The software is continuously developed by the spectrometer manufacturers as part of their NMR system development. This software allows better and better control of the hardware and design of NMR experiments. Also, the same software development allows better and easier treatment of data (FID) 

Sample volume is also important. Each probe has a specific detection coil that receives signals from only a finite volume in the core of the magnet. There is an optimum volume, greater than this detection coil volume which minimizes field distortions caused by the solution/air interface. When enough sample is available, this optimum volume should be used. For samples in small quantities, other strategies can be used e.g., capillary tubes, vortex suppressers, microprobes, etc.). 

When enough sample is available, the concentration is chosen depending on the information desired. Thus, high concentrations are desired for good signal-to-noise ratios e.g., nuclei with low natural abundance), for short recording times and for some two dimensional experiments e.g., H,C-COSY, COLOC, INADEQUATE). On the other hand, dilute solutions are preferred for higher resolution spectra, NOE experiments and other two dimensional experiments e.g., H,H-COSY). 

The routine high resolution NMR spectrometers lock the magnetic field on the deuterium frequency of the solvent. Although other techniques exist, the use of deuterated solvents is the best choice (when possible), as it gives better quality spectra. 

Apart from the solubility of the sample, other factors should be considered when choosing a solvent. The price plays an important role as it varies greatly from one solvent to another. The viscosity of the solvent has an important effect on the resolution of the spectrum. Viscous solvents usually produce lower resolution spectra than non-viscous ones. The usual non-viscous solvents are acetone-de, acetonitrile-ds, chloroform-d, 

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The other parameters used in the calculation of STOMP and GIIP have been discussed in Section 5.4 (Data Interpretation). The formation volume factors (B and Bg) were introduced in Section 5.2 (Reservoir Fluids). We can therefore proceed to the quick and easy deterministic method most frequently used to obtain a volumetric estimate. It can be done on paper or by using available software. The latter is only reliable if the software is constrained by the geological reservoir model. 

The AEBBL SW ains on the PC. The software uses a menu structure, easy to use by a non expert operator. AEBIL has been designed to operate in DOS environjnent in order to enhance its real-time operation capabilities. The user-interface has been developed so as to permit a window-driven operation. 

Our experiences with the software developed within the ANDES project have shown that CBR is a helpful methodology for use in the interpretation of NDT data from field inspections. Because CBR systems can adapt to new situations they can cope with inspection of varying constructions in varying conditions. However, because CBR systems learn from classifications made by the operator this means that they will not be very useful for completely automatic interpretation. Fortunately, most of the NDT inspection requires the presence of an operator because of the required high reliability. 

Also a very important the instrument may be adapted to a customer s needs by only changing software, and handing a floppy disk to the customer. Even better, the customer himself can download the software from our server, using a modem or the Internet. 

In the second mode the data can be transferred to a computer. Using the software ENTROSOFT one can analyze all the data in detail, for example ... 

For presenting the results of the 3D-CT measurements the software tool 3D-CTViewer [12] was designed and developed under the visualization developer language IDL [13]. In this package both typical methods for 3D-visualization, the surface and the volume rendering technique [14], are implemented. 

The key company of the new NDT- centre is HAPEG (Hattinger Priif- und Entwicklungs-gesellschaft), which operates a Computed Tomography system and offers service measurements on test samples of their customers [1]. The basic set up and technical details of this CT-system are presented in this paper. Details of the extension towards 3D visualisation, 3D-Tomography and the software involved are presented in a different paper [2]. 

Therefore it is reasonable to prepare already the data acquisition for a three dimensional evaluation in cone-beam-technique by means of two-dimensional detectors. The system is already prepared to integrate a second detector- system for this purpose. An array of up to four flat panel detectors is foreseen. The detector- elements are based on amorphous silicon. Because of the high photon energy and the high dose rates special attention was necessary to protect the read-out electronics. Details of the detector arrangement and the software for reconstruction, visualisation and comparison between the CT results and CAD data are part of a separate paper during this conference [2]. 

Additionally the distance between the camera and inspection-surface has to be controlled. The software for flaw detection was developped in a way that enables the camera of measuring different areas of the parts with different sensitivities in a single step and to cover areas that not have to be inspected. 

At each step, the computer reeords the amplitude of R.F. signal sent by the generator, witli tile eventual eorreetion made by the operator. At the end of the measurement, the software calculates the maximum deviation of linearity versus the ideal curve. 

Development of the software for the acquisition process was divided into a number of areas ... 

We showed that experimentally recorded DACs and synthetically generated DGS curves are equivalent if the described requirements are fulfilled. Consequently an echo amplitude evaluation program has been developed which combines both techniques in one instrument. The software of the new state-of-the-art Ultrasonic Notebook USLT 2000 allows, apart from many other new possibilities, the combined or exclusive use of the reference block and the DGS method for amplitude evaluation. Even in those situations where DACs cannot be re-... 

We are confident that any user of this combined evaluation technique, as well as the development of future test standards for manual ultrasonic testing will benefit from this result, because it allows a greater flexibility in the applicable method without loosing reliability. Often an expensive production of a reference block can be avoided and therefore testing costs are reduced. Since all calculations are performed by a PC, the operator can fully concentrate on his most important duty scanning the workpiece and observing the A-scan. Additional time will be saved for the test documentation, since all testing results are stored in the instrument s memory (the PC s hard drive) with full link to the Software World (Microsoft Word, Excel, etc.). 

The software US-SCAN 3.0 (IBT GmbH, Ober-Ramstadt, Germany) provides all functions of a portable flaw detector and a powerful ultrasonic imaging in A-, B-, C- and D-scans. Not only motor driven scanners can he used, but also manual scanning systems with encoders. Further documentation and test reports can be carried out with Windows software. 

The great advantage of installing an ultrasonic system in a PC is that both the hardware (processor, grafics, power supply,. .) aud the software (evaluation and documentation) are directly available for the inspections. 

The software contains features such as TCG- compensation, information on probe rotation, compensations for object geometry and can provide a choice of A-, B- and C-scan images while scanning. 

The software also hosts a maximum amplitude function which ensures that the signal with the largest amplitude is stored for each point. This function also guarantees that such a signal is not written over by a following scan producing a lower amplitude signal at the same point. 

The Evaluation system is a Windows based open system through DLL, Dynamic Link Library, which provides great flexibility in evaluation and presentation of data. It also makes it possible to customise evaluation and images for special applications The time gates can be set after testing and there is a 256 colour range for amplitude. The software include FFT -facilities which enables measurements on used probes for parameters such as center frequenzy and bandwidth. 

Fig. 2 shows a selected panel from the software on screen during a set of measurements. 

Remote analysis is provided by specific software developed at Laborelec. This enables us to configure the software to the needs of our analysis. 

Critical to the successtlil completion of this process are the software tools required to store and analyse the inspection and related data. This is a major task and to achieve this OIS has produced, in conjunction with a major specialist technical software provider, the Asset Condition Evaluation Tool (Acet). Acet is a comprehensive suite of programs which draws on the extensive experience of engineers working in this field for many years, to provide a readily usable and highly auditable package for this application. 

Figure Bl.21.1. Atomic hard-ball models of low-Miller-index bulk-temiinated surfaces of simple metals with face-centred close-packed (fee), hexagonal close-packed (licp) and body-centred cubic (bcc) lattices (a) fee (lll)-(l X 1) (b)fcc(lO -(l X l) (c)fcc(110)-(l X 1) (d)hcp(0001)-(l x 1) (e) hcp(l0-10)-(l X 1), usually written as hcp(l010)-(l x 1) (f) bcc(l 10)-(1 x ]) (g) bcc(100)-(l x 1) and (li) bcc(l 11)-(1 x 1). The atomic spheres are drawn with radii that are smaller than touching-sphere radii, in order to give better depth views. The arrows are unit cell vectors. These figures were produced by the software program BALSAC [35]-...

The CACTVS molecule editor is a graphical input tool for molecular structures and is free of charge for non-profit use. It can be used as a stand-alone or as a dependent remote program of the CACTVS computation workbench. The software is available for aU platforms (excluding Macintosh systems). 

JChemPaint is a chemical structure drawing applet. The noteworthy characteristic of this 2D molecule editor is that it is an open source program [208]. This means that the software and the source code of the program are freely available. Every programmer or interested person can participate and enter individual special requests for further development of the application. 

ELECTRAS - web-based data analysis system. The software supports 2x2 different modes of action the modes for expert and novice engineers and the modes for expert and novice computational chemists. htip //www2.chemie.uni-erlangen.de/projects/eDAS/index.himl... 

DayCart is a software cartridge which offers a range of operation on an Oracle database, such as complete structure, similarity, and substructure search. The software can be obtained from Daylight Chemical Information Systems, Inc. (Mission Viejo CA) URL www.daylight.com... 

The Rekker approach is still used with revised Z/ systems, e.g., in the software program Z/SYBYL [8]. Over recent decades various other substructure-based approaches have been developed that are mostly implemented and available as computer programs. 

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