[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 andlpsd_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.