Data conversion software

The type of system chosen determines the types of hardware and software needed. It also determines the processes for acquiring the necessary hardware and software. The hardware selection may include desktops, laptops, printers, scanners, fax machines, and storage devices, and the software selection includes the system development software, the database management software, the data communication software, the data conversion software, specialized proprietary software, servers, and hrewalls. 

Various computer software and programs have been developed and used to simplify the transformation, manipulation, and analysis of trial data, to speed up and increase the accuracy of reporting the trial s hndings. If data are collected in a format other than that required by the analysis software, the data must be transformed. There are several data conversion software packages that can be used to transform the collected data from the original format to the analysis format. Examples of these include DBMSCopy and Stat/ Transfer. 

Table 17.6 Available powder diffraction data conversion software and supported file types. 

The GETFILE software is used in this volume to demonstrate its capabilities for converting various spectrometer specific data formats into the WINNMR format. It has been developed for data conversion and easy data transfer and must be installed if you wish to... 

With CIF becoming a more used standard in the powder diffraction community, structure data conversion is becoming less needed on a day-to-day basis. The Powder Cell format is probably the next best format due to its relative simplicity compared to CIF. Most structure databases can export files into CIF format, and some to Powder Cell format. Eric Dowty s Cryscon software is currently the most comprehensive structure data conversion and transformation (Table 17.8). However, due care should be shown and results checked. Normally, the programs are robust, and it is more a case of users selecting options without understanding the consequences. 

Table 17.8 Available structure data conversion and transformation software. 

The internal binary data storage is maintained by a common library that is accessible directly by data conversion libraries. Data conversion libraries have two modes of operation (1) Import of data means reading those data from their source and converting them into the current internal data formats and (2) export of data means writing data from internal data storage to destination (files) in a format being supported by other software. Both ways should transport the data with no or minimum loss of information. The aim is to fulfill the FDA s requirement of true and complete transfer that is, information must be transferred completely and numerical data must be converted accurately. 

Along with technologies to store and access data, there is a requirement for data manipulation in analysis and format conversion tasks. There is a variety of packages, free and commercial, that provide uniformed means of carrying out much of this analysis. Data resources and data manipulation software available on the Web can also be linked using Web services or workflow technologies. 

Tlie BCS Review (2001) surveyed 1027 projects of which only 130 (less than 13%) were judged to be successful. Of the 500+ development projects in the sample, only 3 (0.6%) succeeded. Of the 130 successful projects, 18.2% were maintenance projects and 79.5% were data conversion projects only 2.3 % were development projects. Software development is not done well,... 

It is needed to allow computer-readable chemical structure data to be exchanged between different programs (perhaps from different suppliers) with the minimum of special conversion software. 

The principal advantage of a standard format is that it will allow the transfer of chemical structure data between different programs without the need for special conversion software. Such a format will only be successful, however, if it meets the requirements of those likely to use it across a range of user communities. Considerable care therefore needs to be taken in its design, with input being taken from wide variety of individuals and organisations. 

Section 8.2 described how different rotary rheometers are designed to control and to measure rotation rate, angular position, torque, temperature, and other variables. Equally important is the analysis of these measurements, conversion of the raw millivolts to material functions. Twenty years ago this was all done by hand, but today commercial rheometers spit out materials functions like G and G" in real time. Data analysis software is becoming a more and more important part of rheometer design. We have already seen that the inertia correction algorithms illustrated in Figure 8.2.11 can significantly extend the performance of controlled stress rheometers. 

Another aspect is online data entry. Today most instruments are not connected directly to a LIMS. A computer operates the instrument and transfers the results to the LIMS. TTierefore a file (usually an ASCII file) is created which is specific for the instrument. It is necessary to convert it into another structure so that it can be imported. For this the conversion software has to be progranun. There are also commercial conversion programs which can be adjusted to the particular interface. Raw data such as chromatograms and spectra do not belong in a LIMS and should be managed in another way. 

During the process of conversion, a program may drop some information produced by other software because the format conventions cannot handle this additional information. For example, when the J ACMP format is converted to a Molfile, its content is reduced to structural data only, without spectra data. In other cases, a... 

The data derived from modeling at different conversion degrees (X = 5, 40, and 80%) were also compared to the results obtained from the calculation of the classical Thiele modulus. The calculated (by the Thiele modulus) and modeled (by Presto Kinetics) effectiveness factors showed comparable values. Hence, the usage of simulation software is not required to get a first impression of the diffusion limitations in a Fischer-Tropsch catalyst pore. Nevertheless, modeling represents a valuable tool to better understand conditions within a catalyst pore. 

The signal processor is also measurement specific. A different mathematical treatment, such as a logarithmic conversion, is required for data from each kind of sensor, depending on what the operator desires as a readout. Some data treatment is often conducted with computer software. 

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