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Indirect Fourier Transform
In a Fourier transformation (FT), the Fourier transformed function \hat f(s) is obtained from f(t) by: : \hat f(s) = \int_^\infty f(t)e^dt where i is defined as i^2=-1. f(t) can be obtained from \hat f(s) by inverse FT: : f(t) = \frac\int_^\infty \hat f(s)e^dt s and t are inverse variables, e.g. frequency and time. Obtaining \hat f(s) directly requires that f(t) is well known from t=-\infty to t=\infty, vice versa. In real experimental data this is rarely the case due to noise and limited measured range, say f(t) is known from a>-\infty to b<\infty. Performing a FT on f(t) in the limited range may lead to systematic errors and overfitting. An indirect Fourier transform (IFT) is a solution to this problem.


Indirect Fourier transformation in small angle scattering

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Fourier Transformation
A Fourier transform (FT) is a mathematical transform that decomposes functions into frequency components, which are represented by the output of the transform as a function of frequency. Most commonly functions of time or space are transformed, which will output a function depending on temporal frequency or spatial frequency respectively. That process is also called ''analysis''. An example application would be decomposing the waveform of a musical chord into terms of the intensity of its constituent pitches. The term ''Fourier transform'' refers to both the frequency domain representation and the mathematical operation that associates the frequency domain representation to a function of space or time. The Fourier transform of a function is a complex-valued function representing the complex sinusoids that comprise the original function. For each frequency, the magnitude ( absolute value) of the complex value represents the amplitude of a constituent complex sinusoid with t ...
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Small-angle Scattering
Small-angle scattering (SAS) is a scattering technique based on deflection of collimated radiation away from the straight trajectory after it interacts with structures that are much larger than the wavelength of the radiation. The deflection is small (0.1-10°) hence the name ''small-angle''. SAS techniques can give information about the size, shape and orientation of structures in a sample. SAS is a powerful technique for investigating large-scale structures from 10 Å up to thousands and even several tens of thousands of angstroms. The most important feature of the SAS method is its potential for analyzing the inner structure of disordered systems, and frequently the application of this method is a unique way to obtain direct structural information on systems with random arrangement of density inhomogeneities in such large-scales. Currently, the SAS technique, with its well-developed experimental and theoretical procedures and wide range of studied objects, is a self-contained ...
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Elastic Scattering
Elastic scattering is a form of particle scattering in scattering theory, nuclear physics and particle physics. In this process, the kinetic energy of a particle is conserved in the center-of-mass frame, but its direction of propagation is modified (by interaction with other particles and/or potentials) meaning the two particles in the collision do not lose energy.“Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) for materials characterization,” B.J. Inkson, “Materials Characterization Using Nondestructive Evaluation (NDE) Methods,” 2016. https://www.sciencedirect.com/topics/chemistry/elastic-scattering Furthermore, while the particle's kinetic energy in the center-of-mass frame is constant, its energy in the lab frame is not. Generally, elastic scattering describes a process in which the total kinetic energy of the system is conserved. During elastic scattering of high-energy subatomic particles, linear energy transfer (LET) takes place unt ...
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Pair Distribution Function
The pair distribution function describes the distribution of distances between pairs of particles contained within a given volume. Mathematically, if ''a'' and ''b'' are two particles in a fluid, the pair distribution function of ''b'' with respect to ''a'', denoted by g_(\vec) is the probability of finding the particle ''b'' at distance \vec from ''a'', with ''a'' taken as the origin of coordinates. Overview The pair distribution function is used to describe the distribution of objects within a medium (for example, oranges in a crate or nitrogen molecules in a gas cylinder). If the medium is homogeneous (i.e. every spatial location has identical properties), then there is an equal probability density for finding an object at any position \vec: :p(\vec)=1/V, where V is the volume of the container. On the other hand, the likelihood of finding ''pairs of objects'' at given positions (i.e. the two-body probability density) is not uniform. For example, pairs of hard balls must be s ...
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Scalar (mathematics)
A scalar is an element of a field which is used to define a '' vector space''. In linear algebra, real numbers or generally elements of a field are called scalars and relate to vectors in an associated vector space through the operation of scalar multiplication (defined in the vector space), in which a vector can be multiplied by a scalar in the defined way to produce another vector. Generally speaking, a vector space may be defined by using any field instead of real numbers (such as complex numbers). Then scalars of that vector space will be elements of the associated field (such as complex numbers). A scalar product operation – not to be confused with scalar multiplication – may be defined on a vector space, allowing two vectors to be multiplied in the defined way to produce a scalar. A vector space equipped with a scalar product is called an inner product space. A quantity described by multiple scalars, such as having both direction and magnitude, is calle ...
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Spline (mathematics)
In mathematics, a spline is a special function defined piecewise by polynomials. In interpolating problems, spline interpolation is often preferred to polynomial interpolation because it yields similar results, even when using low degree polynomials, while avoiding Runge's phenomenon for higher degrees. In the computer science subfields of computer-aided design and computer graphics, the term ''spline'' more frequently refers to a piecewise polynomial ( parametric) curve. Splines are popular curves in these subfields because of the simplicity of their construction, their ease and accuracy of evaluation, and their capacity to approximate complex shapes through curve fitting and interactive curve design. The term spline comes from the flexible spline devices used by shipbuilders and draftsmen to draw smooth shapes. Introduction The term "spline" is used to refer to a wide class of functions that are used in applications requiring data interpolation and/or smoothing. The dat ...
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Well-posed Problem
The mathematical term well-posed problem stems from a definition given by 20th-century French mathematician Jacques Hadamard. He believed that mathematical models of physical phenomena should have the properties that: # a solution exists, # the solution is unique, # the solution's behaviour changes continuously with the initial conditions. Examples of archetypal well-posed problems include the Dirichlet problem for Laplace's equation, and the heat equation with specified initial conditions. These might be regarded as 'natural' problems in that there are physical processes modelled by these problems. Problems that are not well-posed in the sense of Hadamard are termed ill-posed. Inverse problems are often ill-posed. For example, the inverse heat equation, deducing a previous distribution of temperature from final data, is not well-posed in that the solution is highly sensitive to changes in the final data. Continuum models must often be discretized in order to obtain a numer ...
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Lagrange Multipliers
In mathematical optimization, the method of Lagrange multipliers is a strategy for finding the local maxima and minima of a function subject to equality constraints (i.e., subject to the condition that one or more equations have to be satisfied exactly by the chosen values of the variables). It is named after the mathematician Joseph-Louis Lagrange. The basic idea is to convert a constrained problem into a form such that the derivative test of an unconstrained problem can still be applied. The relationship between the gradient of the function and gradients of the constraints rather naturally leads to a reformulation of the original problem, known as the Lagrangian function. The method can be summarized as follows: in order to find the maximum or minimum of a function f(x) subjected to the equality constraint g(x) = 0, form the Lagrangian function :\mathcal(x, \lambda) = f(x) + \lambda g(x) and find the stationary points of \mathcal considered as a function of x and the Lagran ...
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Frequency Spectrum
The power spectrum S_(f) of a time series x(t) describes the distribution of power into frequency components composing that signal. According to Fourier analysis, any physical signal can be decomposed into a number of discrete frequencies, or a spectrum of frequencies over a continuous range. The statistical average of a certain signal or sort of signal (including noise) as analyzed in terms of its frequency content, is called its spectrum. When the energy of the signal is concentrated around a finite time interval, especially if its total energy is finite, one may compute the energy spectral density. More commonly used is the power spectral density (or simply power spectrum), which applies to signals existing over ''all'' time, or over a time period large enough (especially in relation to the duration of a measurement) that it could as well have been over an infinite time interval. The power spectral density (PSD) then refers to the spectral energy distribution that would ...
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Least-squares Spectral Analysis
Least-squares spectral analysis (LSSA) is a method of estimating a frequency spectrum, based on a least squares fit of sinusoids to data samples, similar to Fourier analysis. Fourier analysis, the most used spectral method in science, generally boosts long-periodic noise in long gapped records; LSSA mitigates such problems. Unlike with Fourier analysis, data need not be equally spaced to use LSSA. LSSA is also known as the Vaníček method or the Gauss-Vaniček method after Petr Vaníček, and as the Lomb method or the Lomb–Scargle periodogram, based on the contributions of Nicholas R. Lomb and, independently, Jeffrey D. Scargle. Historical background The close connections between Fourier analysis, the periodogram, and least-squares fitting of sinusoids have long been known. Most developments, however, are restricted to complete data sets of equally spaced samples. In 1963, Freek J. M. Barning of Mathematisch Centrum, Amsterdam, handled unequally spaced data by similar ...
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