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Intensity data

Siska P E 1973 Iterative unfolding of intensity data, with application to molecular beam scattering J. Chem. Rhys. 59 6052-60... [Pg.2086]

Intensive data reduction is an efficient inetl iod of managing large datasets. Generally, hasl i codes are used within chemical information processes such as molecule identification and recognition of identical atoms [9S]. [Pg.74]

The addition of paramagnetic species, such as the metal ions Cu ", Mn, or CF", can have dramatic effects on both the observed spectmm and the relaxation behavior of a molecule. The added ion reduces nuclear relaxation times, and permitting more rapid data collection. In addition, faster relaxation rates minimize NOE effects in the spectra, which can be useful in obtaining quantitative intensity data. The most widely used reagent for this purpose is chromium acetylacetonate [13681 -82-8] known as Cr(acac)2. Practically speaking, the use of such reagents requires care, because at... [Pg.403]

Powder diffraction patterns have three main features that can be measured t5 -spacings, peak intensities, and peak shapes. Because these patterns ate a characteristic fingerprint for each crystalline phase, a computer can quickly compare the measured pattern with a standard pattern from its database and recommend the best match. Whereas the measurement of t5 -spacings is quite straightforward, the determination of peak intensities can be influenced by sample preparation. Any preferred orientation, or presence of several larger crystals in the sample, makes the interpretation of the intensity data difficult. [Pg.4]

In Table 2 there are given data pertinent to the lattice-parameter determination, as well as intensity data used in the determination of atomic positional parameters. [Pg.598]

Table 2. Reciprocal spacings and intensity data for NaZn13... Table 2. Reciprocal spacings and intensity data for NaZn13...
Unfortunately, there is not a linear relationship between the light intensity in the measurement plane and the wavefront. This is shown in Fig. 2 which shows the intensities measured at the focal plane for a wavefront equal to pure tilt and coma terms individually. It is apparent that scaling the wavefront by a (in this case 5) does not result in a linear increase in the measured intensity by a factor a. The key difference between existing existing wavefront sensors such as the Shack-Hartmann, curvature and pyramid sensors is how they transform the measured intensity data to produce a linear relationship between the measurements and the wavefront. [Pg.383]

The pentad intensity data can be analyzed with the MIXCO program using the three-state E/E/B model. The fractions are taken two at a time. For each analysis 16 pentad intensities ere entered into the computer (8 from each fraction). The equations used are ... [Pg.178]

In order to test higher-order or multi-site models, it is preferable to study HMR data of polymer fractions. In this work, we shall use the pairwise HMR/fractions data to fit to multi-site models. This Is carried out in the same way as in the pairwise fraction on the tactlcity data. We can either use the two-state B/B model, or even three-state B/B/B model If applicable. The comonomer sequence intensity data for the two fractions are entered Into the computer. A total of 12 entries are Involved (6 for each fraction). The equations for the three-state copolymer... [Pg.184]

The spectroscopy system uses a dispersive element and a detector which is either a charge-coupled device (CCD) or a diode array. A computer is required for instrument control and for intensive data processing. [Pg.52]

In this proposal, a manufacturer could also have the option of using a third party to assess conformance with the recognized standard. The third party could perform an assessment of conformance with the standard and provide the manufacturer with a statement to this effect, and the S10(k) application could then include the statement as well as summary on declaration of conformity. The abbreviated 510(k) submissions may compete with routine 510(k)s, and it is anticipated that their review and processing will be more efficient and timely than those of routine (traditional) submissions, which tend to be intensively data driven (Fig. 2). [Pg.182]

The quality of the intensity data obtainable has been assessed from an experiment on oxalic acid obtained at 100 K with a CCD detector. In this experiment the contamination of 712 to the measured intensities was eliminated by appropriate choice of the generator voltage. Various criteria for judging the quality of the data are discussed below [2],... [Pg.224]

The maximum search function is designed to locate intensity maxima within a limited area of x apace. Such information is important in order to ensure that the specimen is correctly aligned. The user must supply an initial estimate of the peak location and the boundary of the region of interest. Points surrounding this estimate are sampled in a systematic pattern to form a new estimate of the peak position. Several iterations are performed until the statistical uncertainties in the peak location parameters, as determined by a linearized least squares fit to the intensity data, are within bounds that are consistent with their estimated errors. [Pg.150]

Equations (5.2)—(5.4) and Figs. 5.1-5.3 illustrate the nature of the structural observables obtained from gas-electron diffraction the intensity data provide intemuclear distances which are weighted averages of the expectation values of the individual vibrational molecular states. This presentation clearly illustrates that the temperature-dependent observable distribution averages are conceptually quite different from the singular, nonobservable and temperature independent equilibrium distances, usually denoted r -type distances, obtained from ab initio geometry optimizations. [Pg.137]

Emission ratio imaging is extremely popular due to its simplicity and speed. In essence, cells expressing donors and acceptors are illuminated at the donor wavelength and fluorescence intensity data are collected both at donor (D) and at acceptor (S) channels. Collected data may be either images, or, in case high acquisition speed is crucial and spatial information is not required, dualchannel photometer readings (see Textbox 1). S and D are not overlap-corrected and FRET is simply expressed as the ratio of intensities1 as ratio = S/D. [Pg.306]

When comparing relative intensity data obtained in a single frequency band, we are not interested in the magnitude of the prefactor, therefore, we define a relative transition probability... [Pg.142]

Figure 3.80 Values of n, k and thickness L obtained t ia three parameter fits to the A, T and intensity data obtained during the growth of a polypyrrole film on a sputtered Pt electrode in N2-saturated I M NaCIO4/0,l M pyrrole. The potential was stepped from OV to 0.8 V vs, SCE for 15 s, and readings taken every 20 ms. Reprinted from tkarochimica Acia, 36. P,A. Christensen and A. Hamnett, In situ Spectroscopic Investigations of the Growth, Electrochemical Cycling and Overoxidation of Polypyrrolc in Aqueous Solution, pp. 1263-1286 (1991), with kind permission from Pergamon Press Ltd., Headington Hill Hall. Oxford 0X3 OBW, UK. Figure 3.80 Values of n, k and thickness L obtained t ia three parameter fits to the A, T and intensity data obtained during the growth of a polypyrrole film on a sputtered Pt electrode in N2-saturated I M NaCIO4/0,l M pyrrole. The potential was stepped from OV to 0.8 V vs, SCE for 15 s, and readings taken every 20 ms. Reprinted from tkarochimica Acia, 36. P,A. Christensen and A. Hamnett, In situ Spectroscopic Investigations of the Growth, Electrochemical Cycling and Overoxidation of Polypyrrolc in Aqueous Solution, pp. 1263-1286 (1991), with kind permission from Pergamon Press Ltd., Headington Hill Hall. Oxford 0X3 OBW, UK.

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