Peaks intensity/position extraction

Peak Fitting for Intensity/Position Extraction - With or without Cell Knowledge... 

The traditional method to measure the pole distributions becomes unsatisfactory if the peaks are overlapped. This happens for low symmetry compounds or when the sample contains many phases. In addition, by using a position sensitive detector or neutron time-of-flight diffraction, a large segment or the whole pattern can be recorded simultaneously, and using only a small number of peaks, a large volume of information is lost. To eliminate these drawbacks, Wenk, Matthies and Lutterotti proposed a combination of the WIMV procedure (or other inversion method) with the Rietveld method - more exactly with the Le Bail (Chapter 8) routine for peak intensity extraction. In this combined method it is presumed that the structural parameters, or... 

To gain more insight, we carried out a Kramers-Kronig analysis to extract the excitation spectrum, or 2( 5 ( ), from the EELS data. We used E q, 0) — Q) K, 0 = e q = 0, m = 0) where 0 = 4.83 was obtained from previous optical measurements on this material [8.40, 8.41]. Figure 8.12 shows the resultant dispersion and the peak intensity of the optically allowed excitation, or the peak position and the weight of 2, respectively, as functions of the scattering angle. The transition peak position at 2.8 eV for small q in the... 

The indexing proeedure of any diffraction pattern requires the knowledge of positions of some reflections on the pattern. The relations between the position of each peak on a two-dimensional diffraction pattern and the corresponding point in reciprocal space can be established only after a successful indexing. The combined use of the reciprocal coordinates and the determined peak-shape are essential for extracting integrated intensities from diffraction data. 

Zero filling the FID more than a factor of two does not contribute to information extraction and any features revealed by this are artefacts. In most instances, zero filling by a factor of two amounts to an interpolation procedure benefiting primarily peak-picking. There are other procedures which can allow peak-picking interpolation between data points and the one used by the author is a simple equation to fit the maximum intensity and one point either side to a parabola and compute the position of its maximum. Bruker peak-pick table positions for instance are not separated by a multiple of the digital resolution and it would seem that they use the same or an analogous procedure. 

Coated E-glass slide surface. (A) Positive ions. As shown in Fig. 3 and Table 3, the major components on the heat-cleaned surface are Si (m/z = 28), A1 (m/z = 27), and Ca (m/z = 40). However, from Table 4 it can be seen that the aluminium surface concentration after treatment with HAPS was still very intense and increased after extraction with warm and hot water. These results are consistent with the XPS results shown in Figs 1 and 2, and are further indicative of aluminium becoming an integral part of the surface coating. Moreover, for the HAPS deposited from deionized water onto silver foil (99.99%), the peak at... 

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