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Mulliken charges arise from the Mulliken population analysis [1] [2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR [3]) procedures. [4]
In general, with a normally-distributed sample mean, Ẋ, and with a known value for the standard deviation, σ, a 100(1-α)% confidence interval for the true μ is formed by taking Ẋ ± e, with e = z 1-α/2 (σ/n 1/2), where z 1-α/2 is the 100(1-α/2)% cumulative value of the standard normal curve, and n is the number of data values in that ...
The table shown on the right can be used in a two-sample t-test to estimate the sample sizes of an experimental group and a control group that are of equal size, that is, the total number of individuals in the trial is twice that of the number given, and the desired significance level is 0.05. [4]
In statistics, the method of moments is a method of estimation of population parameters.The same principle is used to derive higher moments like skewness and kurtosis. It starts by expressing the population moments (i.e., the expected values of powers of the random variable under consideration) as functions of the parameters of interest.
The capture probability is often defined as a two-variable model, in which f is defined as the fraction of a finite resource devoted to detecting the animal or person of interest from a high risk sector of an animal or human population, and q is the frequency of time that the problem (e.g., an animal disease) occurs in the high-risk versus the ...
Ordinary least squares regression of Okun's law.Since the regression line does not miss any of the points by very much, the R 2 of the regression is relatively high.. In statistics, the coefficient of determination, denoted R 2 or r 2 and pronounced "R squared", is the proportion of the variation in the dependent variable that is predictable from the independent variable(s).
These values are used to calculate an E value for the estimate and a standard deviation (SD) as L-estimators, where: E = (a + 4m + b) / 6 SD = (b − a) / 6. E is a weighted average which takes into account both the most optimistic and most pessimistic estimates provided. SD measures the variability or uncertainty in the estimate.
A Bland–Altman plot (difference plot) in analytical chemistry or biomedicine is a method of data plotting used in analyzing the agreement between two different assays. It is identical to a Tukey mean-difference plot, [1] the name by which it is known in other fields, but was popularised in medical statistics by J. Martin Bland and Douglas G ...