Data, format quality

Scientific, and especially chemical, information is becoming increasingly available on the Internet. This has the advantage that the information is accessible to other users. Additionally, the data formats (HTML, PDF, GIF, etc.) that are used are restricted to the most important ones to provide standards that are readable worldwide. Unfortunately, however, much of the information on the Internet is not reviewed or verified by other organizations as is the case in the primary literature. Thus, the quality of the information is extremely variable. 

The introduction of standardized data formats, communication tools and formats will lead to a more immediate availability of data. Again, if the data are transformed into knowledge to allow for control of a process, their availability greatly reduces manufacturing costs, and reduces risks of poor-quality material production. Data need to be available in a useful format in a relevant time - a time which enables action to be taken. 

In general, desired qualities for a derivatization method, other than those mentioned above may include the following speed quantitativeness functional group selectivity formation of products stable toward hydrolysis, oxidation, etc. formation of products with enhanced response in certain detectors availability of structural information from retention data formation of products whose mass spectra yield ample structural information formation of a single product per constituent whenever possible. 

Having a closer look at the above listed advantages of JT usage it seems obvious that the supplier is becoming independent of the used CAD system because for all relevant CAD systems (at least in automotive and aerospace industry) there are translation tools available that convert native CAD data of aU currently used CAD systems in a very good quality to the JT data format [16]. The quality of the translators is benchmarked once a year at the PSI JT Translator Benchmark (see Sect. 11.5). 

A new project on electronic publishing, financially supported by the German Ministry of Research, and worked out by Wiley-VCH/Chemical Concepts, uses JCAMP and MDL standards (Figure 1). Spectroscopic data acquired directly from the spectrometer site are converted to the JCAMP format. The software TranSpec allows structure input or import in Molfile format. Quality control modules check the reliability of the information. The files in JCAMP and MDL formats are sent to the data server by email. Special software extracts the data from the email automatically and handles the entry into the database. 

Output data can be printed or exported to a spreadsheet. The rendering quality is very good. Structures can be rendered and labeled in several different ways. Molecular structures can be saved in several different formats or as image files. The presentation mode allows molecular structures to be combined with text. 

A very useful format in which to display air quality data for analysis is that of Fig. 4-8, which has as its abscissa averaging time expressed in two different time units and, as its ordinate, concentration of the pollutant at the receptor. This type of chart is called an arrowhead chart and includes enough information to characterize fully the variability of concentration at the receptor. 

Raw data must be analyzed and transformed into a format useful for specific purposes. Summary tables, graphs, and geographic distributions are some of the formats used for data display. Air quality information often consists of a large body of data collected at a variety of locations and over different seasons. Table 15-3 shows the tabular format used by the California Air Resources Board to reduce ozone hourly measurements to a format which shows information about compliance with air quality standards (6). The format has location, maximum values, annual means, and number of occurrences of hourly values above a given concentration as a function of the month of the year. One can quickly determine which areas are violating a standard, at what time of the year elevated concentrations are occurring, and the number of good data points collected. 

This chapter provides summaries of seleeted data resourees available to the CPQRA praetitioner. These resourees are summarized in a eonsistent format that allows them to be easily reviewed and eompared. Those resources whieh are available to CCPS and contain equipment failure rate data of suffieient quality are used for the data tables in Seetion 5.5. 

In semi-empirical methods, complicated integrals are set equal to parameters that provide the best fit to experimental data, such as enthalpies of formation. Semi-empirical methods are applicable to a wide range of molecules with a virtually limitless number of atoms, and are widely popular. The quality of results is very dependent on using a reasonable set of experimental parameters that have the same values across structures, and so this kind of calculation has been very successful in organic chemistry, where there are just a few different elements and molecular geometries. 

The CTD is organised into five modules. A schematic representation of the stmcture and hierarchy is shown in Figure 6.1. Module 1 is designed to contain region-specific information such as application forms and other administrative provisions that may apply. As such, it is not harmonised and is not considered part of the CTD. The other four modules present the technical data in a harmonised format. Module 2 should contain critical overview assessments of the quality, non-dinical and clinical data, together with summaries of the non-clinical and clinical data. The objective of this section is to provide reviewers with an introduction to the submission, and to orient... 

Data Assembly and Clean-Up Section 4.31 provides an example of how tables often look when data was compiled from a multitude of sources formats might differ, data quality is uneven, and comments in text format were smuggled in to further qualify the entries. Since vital background informa-... 

Studies on the particulate distributions from compressed natural gas (CNG) or diesel-fuelled engines with diesel oxidation catalyst (DOC) or partial diesel particle filter (pDPF) have also been performed. The results obtained are used as data for the model, to study the particle penetration into the human respiratory tracts. As a result, the number distribution of particles in different parts of lungs can be modeled [99-101]. Understanding the particle formation and their effects and finding the methods to ehminate the formed particulates from exhaust gas contribute to a cleaner urban environment and thus to a better quality of life. 

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