Consistency checking

In some cases, reported data do not satisfy a consistency check, but these may be the only available data. In that case, it may be possible to smooth the data in order to obtain a set of partial molar quantities that is thermodynamically consistent. The procedure is simply to reconstmct the total molar property by a weighted mole fraction average of the n measured partial molar values and then recalculate normalised partial molar quantities. The new set should always be consistent. 

As a consistency check on a molecular geometry to be used as the starting point for an optimization. 

Equations (1.1) to (1.3) are diflerent ways of expressing the overall mass balance for a flow system with variable inventory. In steady-state flow, the derivatives vanish, the total mass in the system is constant, and the overall mass balance simply states that input equals output. In batch systems, the flow terms are zero, the time derivative is zero, and the total mass in the system remains constant. We will return to the general form of Equation (1.3) when unsteady reactors are treated in Chapter 14. Until then, the overall mass balance merely serves as a consistency check on more detailed component balances that apply to individual substances. 

Although it is possible to identify and test every scenario of consistency checks, a business decision has to be made as to the depth of the checks. However, it is essential that all serious scenarios that could affect data analysis be tested. This is true for any type of data collection system. However, for a system to be one hundred percent reliable, every scenario must be tested and dealt with appropriately. A scenario that cannot be predicted at the time of development may be incorporated into the system or handled as an exception and dealt with accordingly when it occurs. 

In this instance, the (5)-enantiomer data have been negated prior to plotting. From previous discussion of the antisymmetry of the parameters under enantiomer exchange (e.g., Section III.A) it is recognized that it is then to be expected that the (R)- and (5)-enantiomer data should fall on the same experimental trend line. That they do indeed do so shows, as was argued in the Section IV.A for fenchone, that the behavior is at least qualitatively in accord with a pure electric dipole model. Furthermore, combining two distinct data sets [(/ )- and (5)-enantiomers] in this manner provides a consistency check on the reproducibility of the PECD data. It seems good practice to include measurement of both enantiomers, where this is feasible, in an experimental study. 

Assignment of such spectra and fitting of model potential parameters to the observed band frequencies yields the magnitudes of V3 and V6 in the two electronic states involved, either S, and S0, or D0 and S,. Franck-Condon modeling of relative band intensities then yields the relative phase of the potentials in the two electronic states. We typically fix the absolute phase of the potentials from ab initio electronic structure calculations on both the S0 and D0 states. This provides an overall consistency check as well. 

Check. Use the Crooks relation (5.35) to check whether the forward and backward work distributions are consistent. Check for consistency of free energies obtained from different estimators. If the amount of dissipated work is large, caution may be necessary. If cumulant expressions are used, the work distributions should be nearly Gaussian, and the variances of the forward and backward perturbations should be of comparable size [as required by (5.35) for Gaussian work distributions]. Systematic errors from biased estimators should be taken into consideration. Statistical errors can be estimated, for instance, by performing a block analysis. 

Here we have three equations and three unknowns ( V stands for validity) by solving them, we find that the validity of anhedonia is fairly high (1.54 SD), but the validities of sadness and suicidality are marginal (1.01 SD and 1.04 SD, respectively). This method can be used when the group assignment is impossible for some reason, or as an additional consistency check. Also, a proposal was made in the literature (Blanchard, Gangestad, Brown,... 

Tool builders Catalysis opens new opportunities for automated tool support in modeling, consistency checking, traceability, pattern-based reuse, and project management. Read the book. 

In safety-critical systems, it is possible to document refinements precisely enough to perform automatic consistency checks on them. However, achieving this level of precision is rarely cost-effective, and we do not deal with that topic in this book. 

In analytical redundancy schemes, the resulting difference generated from the consistency checking of different variables is called a residual signal. The residual should be by convention zero-valued when the system is normal and should diverge from zero when a fault occurs. This zero and non-zero property of the residual is used to determine whether or not a fault has occurred. Analytical redundancy makes use of a quantitative model of the monitored process and is therefore often referred to as the model-based approach to fault diagnosis. 

Consultation of an expert system is accomplished by using its Radial code representation as input to the Radial interpreter. The interpreter first performs completeness and consistency checks, and then provides interactive run-time support. 

Equality holds for a single sphere or a collection of identical spheres inequality holds if they are distributed in size or composition. This inequality was used by Hunt and Huffman (1973), for example, as an indicator of dispersion in suspensions of spherical particles. It was pointed out by Fry and Kattawar (1981) that the inequalities they derived are useful consistency checks on measurements of all 16 scattering matrix elements. 

If measurements at more than just one temperature exist, a desirable consistency check of inferred dipole models is often possible induced dipole moments may sometimes be assumed not to depend on temperature. This is certainly true for the dissimilar rare-gas pairs like He-Ar... 

The reproducibility is improved if test portions are maintained at a constant volume. It is recommended to consistently check the calibration for moisture and oil contents against standards. 

Here both M and R were deduced from the initial information that there is a C3z axis, but eq. (21) is a useful consistency check. The next step is to check for possible C2 axes normal to C3z,... 

The decision maker compares two hypothetical alternatives that differ in two attribute values only. One alternative performs best on the first and worst on the second objective and the other vice versa. The decision maker chooses the preferred alternative thus deciding on which objective is more important. Subsequently, one alternative s performance is modified until the decision maker is indifferent between both alternatives. While only n-1 evaluations are required redundant comparisons allow consistency checks on the weights obtained. 

Besides the general criticism of additive aggregation models the most criticized aspects about these simple methods are the fact that direct scoring of alternatives and direct estimation of weights often lead to results that lack an argumentative justification and that the resulting preference values lack an economic interpretation. Also, it is not possible to perform consistency checks on the decision maker s inputs. 

When examining data for Henry s law constants, it is useful to compare values with data for structurally similar compounds. For a homologous series such as the chlorobenzenes, the increase in molar volume or area associated with substitution of chlorine for hydrogen causes a decrease in both solubility and vapor pressure thus H may be fairly constant for such a series. The ideal situation is one in which reliable independent experimental data are available for P , C, and H which permit a consistency check of the three determinations. 

J027r d0cos(20) sin2 9 = — (27t)/4, J027r d cos(20) cos2 9 = (27r)/4). This expression can be written in an integral form. It allows to make important consistency checks in the data samples. 

Four VCI-VOI2 copolymers were analyzed and the results are summarized in Table III. The interna] consistency checks from Table II held. The resulting chlorine analysis for sample C agreed very well with the wet analytical results. The discrepancy in sample A suggests the wet results are in error as the reported values were less than the PVC theoretical value. 

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