GRID contour lines

You can specify the number and values of visible contour lines. You specify the total number of contour lines to be shown by simple stating the number, n>0. You normally specify the values of the contour lines as default values. For this case, HyperChem computes the maximum and minimum values on the grid and then draws contours at these values plus n-2 contour lines evenly spaced in between these maximum and minimum values. If you need non-default values, you can specify the starting value and then an increment to define the other n-1 evenly spaced contour lines. If default values were computed previously, HyperChem suggests the starting value and increment of the previous default computation for the new non-default option. 

The computation of the above surface in the parameter space is not trivial. For the two-parameter case (p=2), the joint confidence region on the krk2 plane can be determined by using any contouring method. The contour line is approximated from many function evaluations of S(k) over a dense grid of (k, k2) values. 

The contour plotting program then searches each cell on the x. grid defined by the data to determine, by interpolation, the location of points on the cell edges that should be part of the contour lines for each intensity level. A suitable coordinate transformation then maps the points located in this manner onto the plotting surface where they are Joined by straight line segments. 

Three important parameters enter the model calculations the mass loss rate M, the stellar radius R and the temperature parameter T . The fit of the helium line profiles of HD 50896 requires a final wind velocity of 1700 km/s. Hence, we now calculate a small grid of models in the appropriate range of R and T and with the specially adapted v. The mass-loss rate is kept at log (M/(M /yr)) = -4.4 as an arbitrary choice. The results are presented in the form of contour lines in the log T, -log R,-plane. Those of the contours which match the observed equivalent widths or peak intensities are extracted and yield a "fit diagram". We obtain a well-defined intersection region centered about R = 2.6 R, T = 60 kK (hereafter quoted as "model B"). °... 

Fig. 10. Data extraction strategy An example of the octahedral region in the 5QMAS spectra of y-A2O3 overlaid with a grid of constant SOQE and lines. The SOQE spacing is 0.5 MHz and the chemical shift spacing is 2 ppm. Contours are drawn between 10 and 90% of the maximum spectral intensity. The box around the contour lines indicates 70% of the peak maximum. Values of 11-18 ppm and 2.2-4.1 MHz for and SOQE were determined, respectively. (Reprinted with permission from Goldbourt et Copyright (2003) American Chemical Society.)...

Figure 17 VEDs in the (100) plane for TiC (left) and TiN (light). For the contour lines a logarithmic grid has been used. = 0.2 e/A. (From Ref. 58.)...

Fig. 1. Kriged and contoured cross-section of sericite / (sericite + chlorite)) 100 Index (plotted in percent) along A - A on McIntyre grid line 3500E through the HMC deposit. White diamonds indicate sample locations. Specific rock units such as C15 are labeled with abbreviations. The Cu-Au zone is indicated cross-hatching.

Figure 1. Solid lines are contours of the potential energy surface for the H + H2 - H2 + H reaction. Broken lines are contours of the absorbing potential (which is zero in the central part of the interaction region and turned on at the edge) for three possible choices of it. The points are the grid points that constitute the basis set for the evaluation of the quantum trace, Eq. (2.5).

Fig. 5. A contour plot representing a two-dimensional slice of the molecular electrostatic potential for vinyl sulfone in the plane of the molecule with a sample uniform cubic grid superimposed grid points would be placed at the intersections of the perpendicular lines. (Reproduced from [71] copyright-John Wiley Sons)...

Similar to the theoretical model of Palm et al. [54], based on dynamic surface properties for the prediction of drug absorption into human intestinal Caco-2 cell lines the authors used their molecular dynamics/GRID approach to correlate the absorption of the same set of six P-adrenoceptor antagonists with the coefficients obtained by the water probe at contour level -2 and -3 kcal/mol. 

The results of Dr. Weymouth s magnetic survey are in accordance with the soil chemical analyses (J5). The palisade lines, suspected interior structural features, and parade ground are clearly depicted on the line contour magnetic maps. Furthermore, the 1-m internal grid unit employed in that survey allowed for more accurate definition of the fort boundaries, and the 48-m inside dimension indicated by the magnetic results compares quite favorably with that suggested for the fort by documentary sources. 

Fig. 6.13 Representations of the valence m.o.s of HF (only one of the two tt orbitals is shown) by contour plots and a three-dimensional grid in the case of the vacant (anti-bonding) m.o. Plot of DD (density difference) illustrates the detailed structure of the difference map between the total electron density and the atomic contributions if no bond was formed (full lines for increase of electron density and dotted lines for decrease).

Figure 3.4. Contours of log(req), which is equal to log(Xeq), for a range of Damkohler and Peclet numbers. The dashed line separates a region where req and Xeq depend only on Da (reaction dominated) from a region where they depend only on Pe (transport or advection dominated). The shaded areas are discussed in the text. The arrows point to the region where the modeling grid size can be less than 100 meters.

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