Analysis of line position

Due to relativistic effects important for the inner shells of atoms, the deep ntf shells split in energy according to the j value from the spin-orbit coupling j = t + 1/2. Therefore, deep inner shells are classified by their nfj values. Frequently, in X-ray emission and Auger electron spectrometry, the shell index 

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The careful analysis of observed Raman bands included several steps determination of line positions and line shapes deconvolution of multiple peaks finding... 

The broad diffraction lines of the mineral in bone make accurate measurement of lattice parameters problematical, hence such measurements are rarely attempted. Nevertheless, Handschin and Stern (1992) measured the lattice parameters of human iliac crest samples of 87 individuals aged 0-90 years. Determinations were based on a weighted least-squares analysis of the positions of 6 lines (002, 102, 310, 222, 213, 004) and gave average statistical errors of 0.002 A in a and 0.003 A in c. The parameters showed a slight reduction with age (a by 0.00015 A and c by 0.00005 A, both per year). Chemical analyses of such samples have been reported (Handschin and Stern 1994 and 1995). It may be that the reduction in a-axis is in part caused by the increase in F content with age noted earlier (Wix and Mohamedally 1980). 

About 1200 lines of the fundamentals and V3 were assigned in the range 2087 to 2482 cm Strong Coriolis coupling between both vibrations gives rise to a complicated rotational structure. The simultaneous analysis of the band pair (dyad) allowed the prediction of line positions and intensities in both bands with some reliability up to J =11. At higher rotational quantum numbers, Fermi-type interaction with the neighboring 2V4 band has to be considered [31]. 

Off-line analysis of stored data review of the stored data, organize data in different presentation windows, plot AE and plant parameters data so as to enable comparison and coirelation with the possibility to present data (histogram of AE events vs position, plant parameters and/or AE parameters vs time) conditioned in terms of time interval (initial time, final time) and/or position interval (defined portion of the component = initial coordinate, final coordinate) and/or plant parameters intervals (one or more plant parameters = initial value, final value). 

The spatial localization of H atoms in H2 and HD crystals found from analysis of the hyperfine structure of the EPR spectrum, is caused by the interaction of the uncoupled electron with the matrix protons [Miyazaki 1991 Miyazaki et al. 1991]. The mean distance between an H atom and protons of the nearest molecules was inferred from the ratio of line intensities for the allowed (without change in the nuclear spin projections. Am = 0) and forbidden (Am = 1) transitions. It equals 3.6-4.0 A and 2.3 A for the H2 and HD crystals respectively. It follows from comparison of these distances with the parameters of the hep lattice of H2 that the H atoms in the H2 crystal replace the molecules in the lattice nodes, while in the HD crystal they occupy the octahedral positions. 

H. G. J. Moseley, Phil. Mag. [6], 26, 1024 (1913). The following remarkable quotation from this paper (p. 1030) supports Moseley as the founder of x-ray emission spectrography The prevalence of lines due to impurities suggests that this may prove a powerful method of chemical analysis. Its advantage over ordinary spectroscopic methods lies in the simplicity of the spectra and the impossibility of one substance masking the radiation from another. It may even lead to the discovery of missing elements, as it will be possible to predict the position of their characteristic lines. ... 

Reciprocal spacings (1 jdm — qm = (2 sin 6)1 X) were calculated from the positions of the powder lines, and the lines were indexed on the basis of a face-centered cubic lattice. Analysis of a few lines in the back-reflection region gave a preliminary value of 0-081409 A-1 for 1 ja0. A refinement of l/a0 was carried out by... 

The analysis of XRPD patterns is an important tool studying the crystallographic structure and composition of powder compounds including the possibility to study deviation from ideal crystallinity, i.e. defects. Looking at an X-ray powder diffractogram the peak position reflects the crystallographic symmetry (unit cell size and shape) while the peak intensity is related to the unit cell composition (atomic positions). The shape of diffraction lines is related to defects , i.e. deviation from the ideal crystallinity finite crystallite size and strain lead to broadening of the XRPD lines so that the analysis of diffraction line shape may supply information about sample microstructure and defects distribution at the atomic level. 

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