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Standard variation

As an example of analysis of side-chain dihedral angles, the Bayesian analysis of methionine side-chain dihedrals is given in Table 3 for the ri = rotamers. In cases where there are a large number of data—for example, the (3, 3, 3) rotamer—the data and posterior distributions are essentially identical. These are normal distributions with the averages and standard variations given in the table. But in cases where there are few data. [Pg.341]

The relativistic effects (Rl) and (R2) can be simulated by adjusting the sizes of basis functions used in a standard variational treatment. This adjustment is usually combined with an effective-core-potential [ECP] approximation in which inner-shell electrons are replaced by an effective [pseudo] potential of chosen radius. The calculations of this chapter were carried out with such ECP basis sets in order to achieve approximate incorporation of the leading relativistic effects.)... [Pg.546]

Assuming uniform prior probabilities, we maximise S subject to these constraints. This is a standard variation problem solved by the use of Lagrangian multipliers. A numerical solution using standard variation methods gives i.p6j=. 05435, 0.07877, 0.11416, 0.16545, 0.23977, 0.34749 with an entropy of 1.61358 natural units. [Pg.339]

FIG U RE 6.23 (a) Raman spectra of cancer cells with and withont drng treatment. The observed difference in relative intensity of Raman lines is mnch larger than a standard variation with the same cell culture, (h) Raman spectra from four different cells from the same culture. [Pg.159]

A suffix, denotes a standardized variation of a standard item, usually in design other than material (not applied to T numbers)... [Pg.753]

ANprefix, dentoes a standardized item for use by both Army Navy B suffix, denotes a standardized variation of a standard item, denoting usually method of manuf or material E suffix, denotes an experimental variation of either exptl or standardized item M suffix, followed by number (such as Ml,... [Pg.753]

Because of the lack of standards, variations in analyses made by other methods, and errors caused by coal sampling problems, it was difficult to evaluate the need for x-ray matrix corrections and to select the best method for applying them. However, corrections were necessary because some elements in whole coal such as iron, silicon, and sulfur may vary considerably. For these elements, corrections were applied indiscriminately to all samples, because it was impossible to determine the point at which matrix variations required a correction greater than the accuracy limits of the method. We elected to use the minimum number of corrections compatible with reasonably accurate results. Therefore,... [Pg.78]

A after an Ordn term, indicates a standardized variation of a AB... [Pg.725]

Internal standards are used for many reasons in chemistry. Here we are using it to correct for differences in sampling volumes. It takes much practice for a person to accurately deliver the same size sample every time. It is nearly impossible for two people to accurately deliver the same sample each time if they are partially injecting a loop. If we add a known amount of internal standard to both our sample and our known standard mixture, we can calculate peak heights or areas relative to that of the internal standard. Variations in the injection size of the sample do not affect these relative areas. [Pg.39]

The basis set representing the first order perturbed orbitals should also be chosen such that it satisfies the imposed finite boundary conditions and can be represented by a form like Equation (36) with the STOs having different sets of linear variation parameters and preassigned exponents. The coefficients of the perturbed functions are determined through the optimization of a standard variational functional with respect to, the total wavefunction . The frequency dependent response properties of the systems are analyzed by considering a time-averaged functional [155]... [Pg.135]

The second, and more far reaching, implication of the nonlinearity of the QM problem in continuum models involves the fundamental energetic quantity for these models. To understand this point better it is convenient to compare the standard variational approach for an HF calculation on an isolated molecules with the HF approach for molecules in solution. [Pg.86]

Below I consider two most promising cases Case I — characterized by b = 0, and Case II — characterized by ea = 0. In Case I, the standard variational scheme leads to the following equations for the critical temperature (Tc) ... [Pg.162]

Simulated distillations the boiling range was obtained on an 8-ft bonded methyl silicone column using a FID (see ASTM D-2887). A simple internal standard variation was used for nondistillates. [Pg.150]

N. CABRERA For metals, at least, there is no standard variation. Soon after oxidation has started the thickness of the nuclei may be in the neighborhood of twice that of the underlying film however, further oxidation can increase this variation. In the case of oxide whisker or platelet growth, the variation can be quite large. [Pg.78]

It is common to express the data matrix X as its standardized variate X,. If the average of each column in the data matrix X is X and the standard deviation of each column is Si, then the matrix X, will have the elements ... [Pg.181]

The coordinates are stored in the vector X X denotes a transposed vector) and throughout this manuscript we use Cartesian coordinates only. A dot denotes a time derivative. The mass matrix M is diagonal, T is the kinetic energy, U is the potential energy, and L is the Lagrangian. We seek trajectories such that the total time, t, and the end points of the trajectories, X (0) and X (t), are fixed, and the action is stationary with respect to path variations. With the above conditions the Newton s equations of motion are obtained by a standard variation of the classical path [4]. Let r] T) be an arbitrary displacement vector from a path, X (t). The stationary condition of the action is obtained from the expression below... [Pg.438]

A standard variational calculus, extended slightly as compared to that described in Sect. 2.1, is applied to find the profile ( )(z) and its surface value, minimizing Eq. (24). It yields a differential equation describing the profile <]>(z) (identical to Eq. 8b) ... [Pg.40]

A complication we should keep in mind when comparing Sg to the usual classical action is that the Newtonian trajectory is not the only stationary solution of the Gauss action. A standard variation of Eq. (20) leads to a fourth order differential equation and hence to two more solutions in addition to the true classical trajectory (the two additional solutions are related by a time reversal operation). An example was discussed in details in Ref. 4 [see... [Pg.106]

In order to be able to perform the minimization, using standard variational principles, it is necessary that we can make arbitrarily small variations of the density. [Pg.98]

This is an unusually high number and at least indicates differences in the extraction method used. The extractions used for the insoluble fraction and the FFPE sample were quite similar, however. In this case, only 16% of the protein set identihed by the FFPE sample was unique. This number is consistent with standard variation of shotgun proteomic experiments. The SDS extraction also assists the antigen retrieval method in retrieving proteins containing predicted trans-membrane helices (TMFls). In this experiment the soluble fraction identified 307 TMH-containing proteins, the insoluble fraction 693 and the FFPE sample 488 (Fig. 20.5). [Pg.353]

Ceperley and Bernu [64] introduced a method that addresses these problems. It is a generalization of the standard variational method applied to the basis set exp(-f ) where is a basis of trial functions 1 s a < m. One performs a single-diffusion Monte Carlo calculation with a guiding function that allows the diffusion to access all desired states, generating a trajectory R(t), where t is imaginary time. With this trajectory one determines matrix elements between basis functions = ( a( i) I /3(fi + t)) and their time derivatives. Using... [Pg.22]

Cyster So your point is that even small effects might have phenotypic consequences, and the standard variation in the population is enough to cause huge phenotypic variation ... [Pg.61]

Reduction in standard variation can be investigated by using the multi-angle spectrophotometer and one of the following measurement methods. The first is to have a single standard that paint suppliers, assembly plants and other part suppliers all can measure. They each measure the one standard, usually iixtured, and retain the numerical value of that standard measured by their multi-angle spectrophotometer. [Pg.215]

A fourth option would be to have a purely digital standard. A master multi-angle color spectrophotometer is defined and its color values of the standard are passed digitally to any portion of the color communication chain. In the option the standard variation is the variation of inter- instrument agreement between the multi-angle spectrophotometers in the color communication chain. [Pg.215]


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Relative standard deviation coefficient of variation

Standard Gibbs energy change variation with temperature

Standard Gibbs energy variation

Standard Normal variate

Standard cell potentials, variation with

Standard enthalpy change variation with temperature

Standard entropy change variation with temperature

Standard potential periodic variation

Standard potential variation with temperature

Variations on the Standard Methods

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