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Any physiochemical variable (Ym) is always determined from certain measured variables {Xi}. The uncertainties {ui} of measuring {Xi} are generally a priori ensured as acceptable. However, there is no general method for assessing uncertainty (em) in the desired Ym, i.e. irrespective of whatever might be its system-specific-relationship (SSR) with {Xi}, and/ or be the causes of {ui}. We here therefore study the behaviors of different typical SSRs. The study shows that any SSR is characterized by a set of parameters, which govern em. That is, em is shown to represent a net SSR-driven (purely systematic) change in ui(s); and it cannot vary for whether ui(s) be caused by either or both statistical and systematic reasons. We thus present the general relationship of em with ui(s), and discuss how it can be used to predict a priori the requirements for an evaluated Ym to be representative, and hence to set the guidelines for designing experiments and also really appropriate evaluation models. Say: Y_m= f_m ({X_i}_(i=1)^N), then, although: e_m= g_m ({u_i}_(i=1)^N), N is not a key factor in governing em. However, simply for varying fm, the em is demonstrated to be either equaling a ui, or >ui, or even <ui. Further, the limiting error (d_m^(Lim.)) in determining an Ym is also shown to be decided by fm (SSR). Thus, all SSRs are classified into two groups: (I) the SSRs that can never lead d_m^(Lim.) to be zero; and (II) the SSRs that enable d_m^(Lim.) to be zero. In fact, the theoretical-tool (SSR) is by pros and cons no different from any discrete experimental-means of a study, and has resemblance with chemical reactions as well.
Evaluation of a variable Yd from certain measured variable(s) Xi(s), by making use of their system-specific-relationship (SSR), is generally referred as the indirect measurement. Naturally the SSR may stand for a simple data-translation process in a
Despite of their success, the results of first-principles quantum mechanical calculations contain inherent numerical errors caused by various approximations. We propose here a neural-network algorithm to greatly reduce these inherent errors. As a dem
It has been previously shown that any measurement system specific relationship (SSR)/ mathematical-model Y_d = f_d ({X_m}) or so is bracketed with certain parameters which should prefix the achievable-accuracy/ uncertainty (e_d^Y) of a desired result
By using Poissons summation formula, we calculate periodic integrals over Gaussian basis functions by partitioning the lattice summations between the real and reciprocal space, where both sums converge exponentially fast with a large exponent. We dem
In isotope ratio mass spectrometry (IRMS), any sample (S) measurement is performed as a relative-difference ((S/W)di) from a working-lab-reference (W), but the result is evaluated relative to a recommended-standard (D): (S/D)di. It is thus assumed th