Displaying Data

As our discussions of population distributions and basic statistics have progressed, the use of graphical methods to display data can be seen to play an important role in both univariate and multivariate analysis. Suitable data plots can be used to display and describe both raw data, i.e. original measures, and transformed or manipulated data. Graphs can aid in data analysis and interpretation, and can serve to summarize final results. The use of diagrams may help to reveal patterns in the data which may not be obvious from tabulated results. With most computer-based data analysis packages the graphics support 

Thompson, in Methods for Environmental Data Analysis , ed. C.N. Hewitt, Elsevier Applied Science, London, UK, 1992, p. 213. 

Flannery, S.A. Teukolsky, and W.T. Vetterling, Numerical Recipes , Cambridge University Press, Cambridge, UK, 1987. 

Statistics and Data Analysis in Geology , J. Wiley and Sons, New York, USA, 1973. 

Chatfield, Statistics for Technology, Chapman and Hall, London, 1976. 

Bevington, Data Reduction and Error Analysis for the Physical Sciences, McGraw-Hill, New York, 1969. 

Miller and J.N. Miller, Statistics for Analytical Chemistry, Ellis Horwood, Chichester, 1993. 

Massart, A. Dijkstra and L. Kaufman, Evaluation and Optimisation of Laboratory Methods and Analytical Procedures, Elsevier, London, 1978. 

Davies, Efficiency in Research, Development and Production The Statistical Design and Analysis of Chemical Experiments, The Royal Society of Chemistry, Cambridge, 1993. 

---

REACCS is organized iato six operational modes MAIN and BUILD, which are used to draw molecular stmctures, build reactions, and constmct graphic queries and SEARCH, VIEWLIST, PLOT, and EORMS, which are used to create custom forms to display data associated with reactions and molecules. Each of the modes provides a characteristic menu and a set of options, which normally perform tasks that relate to the general function of that mode. 

Graphs - used to display data for comparative purposes... 

Figure 1.3. The use of quantiles for displaying data. Three distributions of 100 events each are shown in histogram (left) and in quantile (right) form. The reason for choosing the 17 and the 83 - quantiles is explained in the text.

By means of the transform utility, the user is able to perform a great number of analyses without programmer support. The user is also able to display data in whichever units are appropriate without programmer intervention. 

Attaching, resolving, archiving, and printing sticky notes Displaying data history for a given field Printing forms or reports... 

Figure 12.4 A series of SFG spectra in the CO stretch region of chemisorbed CO on polycrystalline Pt in a CO-free 0.1 M H2SO4 electrolyte. The atop spectra were fit to (12.5) (see text) to extract the amplitude, frequency, and width [Lu et al., 2005 Lagutchev et al, 2006] (each displayed data point is the average of three or five spectra). The electrode potential was swept at a rate of 5 mV/s, and SFG spectra were obtained every 200 ms. Spectra were obtained at 1 mV intervals, but, to avoid congestion in the plot, averaged spectra are displayed at 10 mV intervals in the pre-oxidation region (V < 0.43 V) and at 3.3 mV intervals in the oxidation region (V > 0.43 V) [Lu et al., 2005].

In Table I are shown representative data concerning plasma deposition of a-C(N) H films, produced by different methods and under different gaseous mixtures and deposition parameters. In this table are displayed data on chemical composition (maximum N content, and range of variation of H content), deposition details (deposition pressure, self-bias, and atmosphere composition), and the method used for chemical composition determination. 

Figure 1.1. Growth of semiconductor and flat panel display industries. [Data Source Semiconductor industry sales data from Semiconductor Industry Association (SIA) and flat panel display data from Displaysearch Corp, San Jose, CA.]...

Table 6 displays data for the isomer proportions formed in the nitration and halogenation of nitrobenzene224. As with all +/, +R substituents, the formation of the meta isomer predominates. The reactions are far slower than those of benzene itself. Partial rate factors for the reaction of nitrobenzene with HNO3-H2SO4 are as follows / , 1.08 x 10 8 fm,... 

Wasson JT (1985) Meteorites Their Record of Early Solar System History. New York Ereeman Wesolowski DJ, Benezeth P, Palmer DA (1998) ZnO solubility and Zrf+ complexation by chloride and sulfate in acidic solutions to 290°C with in-situ pH measurement. Geochim Cosmochim Acta 62 971-984 Wessel P, Smith WHF (1991) Free software helps map and display data. EOS Trans AGU 72 445-446 Xiao Z, Gammons CH, Williams-Jones AE (1998) Experimental study of copper(I) chloride complexing in hydrothermal solutions at 40 to 300°C and saturated water vapor pressure. Geochim Cosmochim Acta 62 2949-2964... 

As a result of prior field experience with the furan system, a qualifying test has been employed at Albany International Research Co. to measure the durability. Table III displays data of typical samples tested against synthetic seawater at 1000 psig maintained at a temperature of 50°C. Samples of cellulosic seawater membrane and polyamide membrane were found to fail in several hours of challenge by these conditions. 

Table V displays data recorded at the test facility in Roswell, New Mexico, maintained by the Office of Water Research and Technology, U. S. Department of Interior. This facility delivers a feed of brackish water pretreated to control bacterial growth and to deliver a feed free of chlorine. Modules 148 and 152 were nominally identical samples. They are constructed of fiber bundles approximately 2 inches in diameter, 10 inches in length and containing approximately 25 square feet of membrane surface area. The increase in productivity over time can be explained by an increase in feed temperature over the course of the test. The decline in rejection of module 148 is not fully understood. However, it is probable that the decline is similarly the responsibility of a temperature increase. Recent data indicates a stabilization at a rejection level of 94%.

Pattern recognition has been applied In many forms to various types of chemical data (1,2). In this paper the use of SIMCA pattern recognition to display data and detect outliers In different types of air pollutant analytical data Is Illustrated. Pattern recognition Is used In the sense of classification of objects Into sets with emphasis on graphical representations of data. Basic assumptions which are Implied In the use of this method are that objects In a class are similar and that the data examined are somehow related to this similarity. 

In addition to displaying data in a spectrum, data is also in the form of a fist with mass and ion counts (intensity). Some mass spectrometers can do many things to spectra to improve its utility. Removing or smoothing out of random noise, for example, is often performed. The modified or processed data or raw data is then often shipped to another program that converts these data to concentrations or a workable form with which to make assessments. 

Check reloading of previously displayed data sets. In the box just above the Exit command in the 1D WIN-NMR File pull-down menu, click on the proton spectrum of glucose D NMRDATA GLUCOSE 1D H GH 001999.1R. It will be immediately reloaded and displayed. 

This will allow use of the familiar Gibbs triangular coordinates for displaying data. 

Fig. 8.23. Cells stained with propidium iodide for permeable membranes and with annexin V for phosphatidylserine can distinguish live (double negative), apoptotic (annexin V-positive, propidium iodide-negative), and necrotic (double positive) cells. This figure (with data from Robert Wagner) shows cultured bovine aortic endothelial cells the left plot displays data from adherent cells, and the right plot displays data from the floaters. ...

Contour plot A contour plot is one method for displaying data cor-... 

Histogram A one-dimensional histogram displays data from one parameter of a flow cytometric data file at a time. 

Wainer, H. (1984). How to display data badly. American Statistician, 38, 137— 147. 

The displayed data are T crystallization temperature AH apparent crystallization enthalpy Tm melting temperature AHm apparent melting enthalpy X. degree of crystallinity, obtained by DSC (a) and WAXS experiments. D ]0 cystallite size perpendicular to the diffraction plane (110). 

There is ample evidence that the plots of the logarithm of the apparent rate constant Tc against the potential difference (Tafel plots) for univalent ions have reciprocal slopes of about 118 mV per decade [42, 61, 124, 132, 142-144, 146]. This behavior is illustrated for several cations and anions in Fig. 13, which displays data obtained from equilibrium impedance measurements [132]. Tafel plots derived from dc or ac voltammetric measurements in a sufficiently broad potential range are usually curved [144, 145, 163]. Chronocoulometry has been claimed [124] to provide independently the rate constants for the forward and the backward ion transfer in Eq. (21) cf. also Girault s review [14]. However, this is impossible in principle, because these rate constants should always be related to each other by Eq. (22). The origin of the value of the apparent charge transfer coefficient and its variation with the potential has been always the key issue. 

ICSD has 3D structures of more than 35,000 inorganic substances. PC, IBM, and VAX versions. Available on-line through STN International. On CD-ROM for PCs. RETRIEVE for searching CD-ROM and CRYSTAL VISUALIZER for displaying data. 

Figure 2 shows the spectral response functions (5,(r), Eq. 1) derived firom the spectra of Fig. 1. In order to adequately display data for these varied solvents, whose dynamics occur on very different time scales, we employ a logarithmic time axis. Such a representation is also useful because a number of solvents, especially the alcohols, show highly dispersive response functions. For example, one observes in methanol significant relaxation taking place over 3-4 decades in time. (Mdtiexponential fits to the methanol data yield roughly equal contributions from components with time constants of 0.2, 2, and 12 ps). Even in sinqrle, non-associated solvents such as acetonitrile, one seldom observes 5,(r) functions that decay exponentially in time. Most often, biexponential fits are required to describe the observed relaxation. This biexponential behavior does not reflect any clear separation between fast inertial dynamics and slower diffusive dynamics in most solvents. Rather, the observed spectral shift usually appears to sirrply be a continuous non-exponential process. That is not to say that ultrafast inertial relaxation does not occur in many solvents, just that there is no clear time scale separation observed. Of the 18 polar solvents observed to date, a number of them do show prominent fast components that are probably inertial in origin. For example, in the solvents water [16], formamide, acetoniuile, acetone, dimethylformamide, dimethylsulfoxide, and nitromethane [8], we find that more than half of the solvation response involves components with time constants of 00 fs.

---