Why we should give up the sin2ψ method

2009 ◽  
Vol 24 (S1) ◽  
pp. S16-S21 ◽  
Author(s):  
Balder Ortner

The sin2ψ method can be formulated as a single system of simultaneous linear equations. Using this it is easy to show that the sin2ψ method is not a least-squares method. It further helps to compare the accuracies of the stress tensors obtained by the sin2ψ method and the method of least squares. Quantitative comparisons have been made for different fictitious measurements. It is shown that the unnecessary loss in accuracy by using the sin2ψ method is quite significant and by no means negligible. The same course of action has been applied to compare the so-called Dölle-Hauk method with a least-squares method; the result is similar. Some other methods for X-ray stress determination, most often similar to the sin2ψ method, and their shortcomings are also discussed briefly, together with the corresponding, more effective and more versatile least-squares method.

Vestnik MGSU ◽  
2015 ◽  
pp. 140-151 ◽  
Author(s):  
Aleksey Alekseevich Loktev ◽  
Daniil Alekseevich Loktev

In modern integrated monitoring systems and systems of automated control of technological processes there are several essential algorithms and procedures for obtaining primary information about an object and its behavior. The primary information is characteristics of static and moving objects: distance, speed, position in space etc. In order to obtain such information in the present work we proposed to use photos and video detectors that could provide the system with high-quality images of the object with high resolution. In the modern systems of video monitoring and automated control there are several ways of obtaining primary data on the behaviour and state of the studied objects: a multisensor approach (stereovision), building an image perspective, the use of fixed cameras and additional lighting of the object, and a special calibration of photo or video detector.In the present paper the authors develop a method of determining the distances to objects by analyzing a series of images using depth evaluation using defocusing. This method is based on the physical effect of the dependence of the determined distance to the object on the image from the focal length or aperture of the lens. When focusing the photodetector on the object at a certain distance, the other objects both closer and farther than a focal point, form a spot of blur depending on the distance to them in terms of images. Image blur of an object can be of different nature, it may be caused by the motion of the object or the detector, by the nature of the image boundaries of the object, by the object’s aggregate state, as well as by different settings of the photo-detector (focal length, shutter speed and aperture).When calculating the diameter of the blur spot it is assumed that blur at the point occurs equally in all directions. For more precise estimates of the geometrical parameters determination of the behavior and state of the object under study a statistical approach is used to determine the individual parameters and estimate their accuracy. A statistical approach is used to evaluate the deviation of the dependence of distance from the blur from different types of standard functions (logarithmic, exponential, linear). In the statistical approach the evaluation method of least squares and the method of least modules are included, as well as the Bayesian estimation, for which it is necessary to minimize the risks under different loss functions (quadratic, rectangular, linear) with known probability density (we consider normal, lognormal, Laplace, uniform distribution). As a result of the research it was established that the error variance of a function, the parameters of which are estimated using the least squares method, will be less than the error variance of the method of least modules, that is, the evaluation method of least squares is more stable. Also the errors’ estimation when using the method of least squares is unbiased, whereas the mathematical expectation when using the method of least modules is not zero, which indicates the displacement of error estimations. Therefore it is advisable to use the least squares method in the determination of the parameters of the function.In order to smooth out the possible outliers we use the Kalman filter to process the results of the initial observations and evaluation analysis, the method of least squares and the method of least three standard modules for the functions after applying the filter with different coefficients.


2010 ◽  
Vol 47 (1) ◽  
pp. 11-22 ◽  
Author(s):  
Krešimir Malarić ◽  
Roman Malarić ◽  
Hrvoje Hegeduš

This paper describes a computer program that finds a function which closely approximates experimental data using the least-squares method. The program finds parameters of the function as well as their corresponding uncertainties. It also has a subroutine for graphical presentation of the input data and the function. The program is used for educational purposes at undergraduate level for students who are learning least-squares fitting, how to solve systems of linear equations and about computer calculation errors.


1980 ◽  
Vol 43 (330) ◽  
pp. 753-759 ◽  
Author(s):  
L. Fanfani ◽  
G. Giuseppetti ◽  
C. Tadini ◽  
P. F. Zanazzi

SummaryThe crystal structure of synthetic kogarkoite has been determined from X-ray data collected on an automatic diffractometer. The refinement was performed by a least-squares method employing anisotropic thermal parameters. The 3157 reflections with I > 3σ(I) converged to a conventional R value of 0.033. The cell content is 12 Na3SO4F, the space-group P21/m, a = 18.074, b = 6.958, c = 11.443 Å, β = 107.71°.Kogarkoite presents a marked trigonal subcell with c′ corresponding to [102] of the monoclinic cell. The tridimensional framework can be considered built up by nine differently stacked layers of Na atoms approximately perpendicular to the c′ axis (five sheets are present in galeite, six in sulphohalite, and seven in schairerite). The very close structural relationships between these minerals are discussed.


1985 ◽  
Vol 63 (3) ◽  
pp. 581-585 ◽  
Author(s):  
Kwong Khee Lai ◽  
Carl H. Schwalbe ◽  
Keith Vaughan ◽  
Ronald J. Lafrance ◽  
Clive D. Whiston

The crystal structures of the title compounds have been determined from X-ray data collected on a four-circle diffractometer and refined by the full-matrix least-squares method. The former compound crystallizes in the orthorhombic system, space group Pbcn, with a = 14.346(8), b = 7.239(1), c = 17.276(2) Å, and has been refined to a conventional R factor of 0.043 for 890 observed reflections. Corresponding results for the latter compound are monoclinic, P21/n, a = 12.222(4), b = 7.482(2), c = 14.170(8) Å, β = 94.06(4)°, R = 0.060 for 2128 observed data. The triazine rings of both compounds exhibit short N(1)—N(2) bonds and tetrahedral geometry at C(4); however, the ring is puckered in the first compound but flat in the second. Molecules in both crystals are linked by [Formula: see text] hydrogen bonds.


2009 ◽  
Vol 419-420 ◽  
pp. 305-308
Author(s):  
Fan Wen Meng ◽  
Lu Shen Wu ◽  
Qing Jin Peng

An object has to be measured to recover its 3D shape in reverse engineering applications. The object surface is sampled point by point using a fringe projection. The method of least squares is used to match overlapping surfaces to estimate transformation parameters between a local coordinate system and the template coordinate system. The Gauss–Markoff model can minimize the sum of squares of Euclidean distances between surfaces for matching arbitrarily oriented 3D surface patches. This research uses the least squares method for the registration of point clouds. A relief example shows the feasibility of the proposed method. It takes about 4 seconds for the registration of 1531209 points with the error less than 0.03mm, and the iteration number is only 20. The surface profile is complete and smooth after the registration, which can meet the requirement of surface reconstruction.


1980 ◽  
Vol 45 (8) ◽  
pp. 2147-2151 ◽  
Author(s):  
Jan Lokaj ◽  
Ján Garaj ◽  
Viktor Kettmann ◽  
Viktor Vrábel

Crystal and molecular structure of nickel(II) dimethyldithiocarbamate, Ni[S2CN(CH3)2]2 was solved by X-ray structural analysis and refined by the least squares method to R = 0.06 for 1065 reflections. The compound crystallizes in a space group P I and the triclinic unit cell has the dimensions: a = 6.521 (7), b = 6.798 (9), c = 7.633 (4), α = 67.21 (8)°, β = 67.34 (6)° γ =85.59 (9)°. The experimentally observed density is 1.75 g cm-3 and the calculated value for Z = 1 is 1.73 g cm-3. In the structure , the Ni atom occupies a special position in the centre of symmetry and is coordinated by four sulphur atoms in a plane: Ni-S 0.2218 (4) and 0.2198 nm S1-Ni-S2 angle 79.62 (8)°. The ligand S2CNC2 is nearly planar.


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