Computer curve resolution

WS used layer-line scans and computer curve resolution to find 34 measurable spots on a flat film ( ). No meridional data were quantified. (1979) The Lp corrections of Celia, Lee and Hughes (24) were used. 

Gemperline, P.J., Computation of the range of feasible solutions in self-modeling curve resolution algorithms, Anal. Chem., 71, 5398-5404, 1999. 

D Position Sensitive Detectors. Position sensitivity is accomplished by a so-called delay line. For every pulse11 arriving at the wire the time is measured that it needs to travel to each of the two ends of the wire. Thus the position of the incident photon along the wire can be computed from the time difference, i.e., the delay. Bent high-resolution ID position sensitive detectors (cf. Fig. 4.14) are advantageously used in laboratory equipment for the recording of WAXS curves. 

The radial velocities have been computed with the low resolution set-up (more spectral lines, no telluric line), using a cross-correlation technique. When excluding the seven outliers, the peak in centered at 83.0 0.4kms 1 with a dispersion of 1.9 0.2kms 1. Lithium abundance is being determined using Li i 6707.8 A. We used the B — V index to determined the ([3]), and the curve of growth from [7] to derive AT(Li). 

The aids to chromatography include a) resolution calculations on chromatograms of standard mixtures to monitor column performance, b) calculation of Kovats retention index for help in identifying peaks, and (c) multiple point calibration curves for improved quantitation. The file searching routines access two sets of data. Information (such as molecular formula, molecular weight) is stored on 3100 compounds from the Arctander data( ). This allows a quick computer search through the data which is difficult... 

Figure 60. Comet-tail CO+(A1l —>X2 2+) spectra from (a, c) luminescent ion-molecule reaction C++02- C0+ + 0 at lab = 5 eV (b,d), charge-transfer reaction Ar+ +CO->CO+ + Ar at lab=1000 eV. Experimental spectra (a, b) were obtained with 2-nm spectral resolution. Tabulated band heads for CO+ (A— BX) system are indicated. Spectral lines designated as Ar(II) and C(I) do not belong to CO+ emission. Dashed portion of curves was not actually measured. Spectra simulated by computer calculations are given in diagrams (c and d). Rotational distributions assumed in simulation calculations were thermal with T= 45,000°K (c) and 1000°K (

Fig. 23. PDC-spreading surface D = K(V, V) from Section 4 (taken as kernel of an integral operator in Sect. 5), calculated from Eqs. (44a) (with V = VD(P) from Fig. 22 a) and (46) (with a (P), yD(P) and 8d(P) from Fig. 22b). Axis V = VD(P) (in cm3) specifies nearly the maximum of the section of a plane V = const with the spreading surface D for a fixed degree of polymerization predicted by the calibration curve of the column this section represents a monodisperse PDC-eluogram, in which VD is computed according to the first equation of system (45 a). Axis V (in cm3) specifies any elution volume in this section (monodisperse elution curve) as a result of the axial dispersion (spreading) in the PDC-column 31 for this P. Practically monodisperse eluograms are obtained in PDC at 28 °C (to which Fig. 22a-b is related) because the resolution of the column can be neglected m this range. The axonometric plot of the spreading surface D was drawn by a computer CDC-3300...

Errors in photopeak baseline selection and photopeak integration. While manual methods depending on subjective judgement are commonly used for baseline selection (the baseline is often assumed to be approximately linear over a small number of channels), analyses of multicomponent spectra often require mathematical curve-fitting and resolution with the aid of a computer. 

Figure 2. BOXCARS spectrum of N1 over a 2.5-cm-diameter hexagonal fiat flame burner operating on CH,-air at 2110 K and 1-cm 1 spectral resolution. Dotted curve is the best computer fit at 2150 K, 0.8 cm 1 slit and 0.1 cm 1 Raman line-...

Another common need is to increase resolution, and sometimes spectra are routinely displayed in the derivative mode (e.g. electron spin resonance spectroscopy) there are a number of rapid computational methods for such calculations that do not emphasize noise too much (Section 3.3.2). Other approaches based on curve fitting and Fourier filters are also very common. 

Application of a computer program to these data of Fig. 24 yielded calculated values of a for every possible solute pair in the seven mobile phases used. The program then interpolated these data over the entire compositional triangle by fitting to a quadratic curve, to yield values of a as a function of mobile-phase composition. Finally, these a values are plotted in trilinear form (Fig. 25) in such a manner as to indicate mobile-phase compositions of optimum selectivity. Figure 25a shows such a plot for band pair 6-8, where the white region indicates resolution of the two bands (on one 25-cm silica column) greater than the minimum desired Rs > 1.0). 

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