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l [2009/08/06 15:38]
clare created
l [2009/08/27 12:15] (current)
clare
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 +**[//lam// [//​ymin_on_ymax//​ #] [//​no_th_dependence//​] [Lam !E] [calculate_Lam]]**
 +
 +**[//la// E  //lo// E  [//lh// E] | [//lg// E]]...**
 +
 +Defines an emission profile where each "​[//​la//​ E  //lo// E  [//lh// E] | [//lg// E] ]" determines an emission profile line, where
 +
 +//la//:   Area under the emission profile line
 +
 +//lo//:   Wavelength in [Å] of the emission profile line
 +
 +//lh//:   HW in mÅ of a Lorentzian convoluted into the emission profile line.
 +
 +//lg//:   HW in mÅ of a Gaussian convoluted into the emission profile line.
 +
 +//​ymin_on_ymax//​ determines the x-axis extent to which an emission profile line is calculated. It is set to 0.001 by default.
 +
 +//​no_th_dependence//​ defines an emission profile that is 2q independent. Allows the use of non-X-ray data or fitting to negative 2q values.
 +
 +//Lam// defines the value to be used for the reserved parameter Lam. When //Lam// is not defined then the reserved parameter Lam is defined as the wavelength of the emission profile line with the largest //la// values. Note that //Lam// is used to determine the Bragg angle.
 +
 +//​calculate_Lam//​ calculates //Lam// such that it corresponds to the wavelength at the peak of the emission profile. //Lam// needs to be set to an approximate value corresponding to the peak of the emission profile.
 +
 +See section 6 for a description of emission profiles.
 +
 +**[//​lebail//​ #]**
 +
 +A 1 for the //lebail// keyword flags the use of the Le Bail method for peak intensity extraction.
 +
 +**[//​line_min//​] [//​use_extrapolation//​] [//​no_normal_equations//​] [//​use_LU//​]**
 +
 +//​no_normal_equations//​ prevents the use of normal equations in the minimization routine; it is useful when the effects of line minimization only is sought or when there are a large number of parameters being refined. Refer to section 5 for a description of the minimization routines .
 +
 +**[//​lor_fwhm//​ E]...**
 +
 +Defines the FWHM of a Lorentzian function that is convoluted into phase peaks. //​lor_fwhm//​ is used for example by the CS_L and Strain_L macros.
 +
 +**[//​lpsd_th2_angular_range_degrees//​ E]...**
 +
 +**//​lpsd_equitorial_divergence_degrees//​** **E**
 +
 +**//​lpsd_equitorial_sample_length_mm//​** **E**
 +
 +Calculates an aberration for a Linear Position Sensitive Detector and convolutes it into phase peaks. //​lpsd_th2_angular_range_degrees//​ corresponds to the angular range of the LPSD in 2Th degrees. //​lpsd_equitorial_divergence_degrees the equitorial divergence in degrees of the primary beam// and//​lpsd_equitorial_sample_length_mm//​ is the lengths of the sample in the equitorial plane.
 +
 +The //​lpsd_th2_angular_range_degrees//​ convolution corrests for peak shapes, intensities and 2Th shifts; see example LPSD-SIMULATED.INP.

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