Automatic data evaluation

Automatic data collection and processing is becoming more and more common in modern instrumentation. This not only shortens the time for accurate evaluation of the results, but also makes it possible to take into account various experimental factors and to make necessary corrections. 

In our development studies, Endeavor (5 mL) and Buchi (IL) reactor systems were used to screen catalysts and to evaluate the impurity profile under various process conditions. Elydrogenation kinetic studies were carried out using a 100 mL EZ-seal autoclave with an automatic data acquisition system to monitor the hydrogen uptake and to collect samples for HPLC analysis. Standard conditions of 5 g of aldehyde in 25 mL ethyl acetate and 25 mL methanol with 0.5 g of 5%Pd/C Engelhard Escat 142 were used in this investigation. For the Schiff s base formation and subsequent hydrogenation, inline FTTR was used to follow the kinetics of the Schiff s base formation under different conditions. Tables 1 and 2 show the changes in the substrate concentration under different conditions. Both experiments were carried without any limitations of gas-liquid mass transfer. 

Dia-Log Co. manufactures p-jump units with optical conductivity detection capabilities. A photograph of the p-jump unit with conductivity detection is shown in Fig. 4.6. Relaxation times of 50 >Lts—100 s can be measured. The conductivity range is 200 S m-1 to 0.05 S m-1, the temperature range is 273-343 K, and a sample volume of 0.5 ml or more can be used with a readout digitizer that has a memory of up to 256 values. It provides automatic data processing and data reduction with a microprocessor. The data can also be evaluated with PET, HP 67, or Wang 600 and 720 hand-held calculators. 

Scarpignato et al. (1995) evaluated NS AID-induced gastric mucosal damage by continuous measurement of gastric potential difference in the rat. The method allows simultaneous measurement of gastric potential difference and intragastric pH with an automatic data analysis. 

Mercury porosimetry is performed nearly exclusively on automatic commercial instruments that differ mainly in the highest operative pressure, which determines the size of smallest attainable pores. The highest pressure is limited by the uncertainty about the validity of the Washburn equation, which forms the basis of data evaluation. In pores with sizes similar to the mercury atom the assumption that physical properties of liquid mercury (surface tension, contact angle) are equal to bulk properties is, probably, not fully substantiated. For this reason the up-to-date instruments work with pressures up to 2000 - 4000 atm, only. 

For evaluation of the experimental data a computer program written in Visual Basic was developed. This program allowed evaluating concurrently ten experimental curves, which were taken in one measurement cycle. The program allows fully automatic curve evaluation it finds index points on the curve, and calculates the interfacial tension with... 

Another type of data evaluation performed on some automatic instruments is statistical analysis of a series of data, computing such functions as standard deviation and coefficient of variation. 

Evaluation of data requirements based on problem and system definition and objectives. Automatic data-acquisition capability to prepare the data directly from an external company database. 

The PMF data thus obtained are evaluated automatically using search algorithms that compare measured data with theoretically estimated data from protein and DNA databases. The data evaluation is performed using different search programs, which are freely accessible on the Internet, such as Profound (prowl.rockefeUer.edu/profoimd bin/WebProFoimd.exe) [21],... 

All modern X-ray fluorescence systems are computer controlled and equipped with automatic sample changers. Different matrix correction models are included in the data evaluation software, and further developments on expert systems will reduce manual calibration work. With WDXRF, the detectability of light elements (down to Be) will be optimized, e.g. by using X-ray tubes and detectors with ultrathin windows and widely spaced (focusing) analyser crystals. In EDXRF, trends are for miniaturization, development and optimization of high-resolution room temperature detectors and extension of the application range towards the determination of light elements. 

It is very important to stress here what these simulated fittings mean. A triple-component, (six parameter) fit will certainly under some circumstances simulate other, more complex forms of decay, and thus great care must be taken in interpretation of data using such a model. However, we have shown above that the technique can recover the correct functional form, of the decay parameters i.e., while a triple component fit is not automatically the correct functional form, it certainly is not automatically inappropriate. Evaluation of the data must rely on a range of experiments which test the model, and all... 

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