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The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: dict , the unit cell, a dictionary of type cell_g _type or cell_gls_type ... sd_albega are present, the type returned is cell_gls_type . Otherwise, it is cell_g_type . examples Example 1: Set an hexagonal cell

value of the Ikeda-Carpenter function: f = 0.5 * (alpha**3)*((1-R)*(x**2)*exp(-alpha*x)+2*R*beta*(1/alpha**3)*(exp(-beta*x)-exp(-alpha*x)*(1+(1+0.5*x*alpha**3)*x*alpha**3))) function call r = ikeda_carpenter ... The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , ...

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

Functions USE pseudovoigt returns the value of the pseudovoigt function: f = eta * lorentzian (x,fwhm) + (1 - eta) * gaussian (x,fwhm) function call r = pseudovoigt ( x : float , fwhm : float , eta : float ) ... The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , ...

returns the value of the hat function: if x <= -w/2 or x >= w/2: f = 0 If x >-w/2 and x < w/2: f = 1 / w function call r = hat ( x : float , w : float ) Variable Type Description x float Value at which ... The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value ...

The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value of the function at x . examples

es List of PyCrysFML08 Functions USE lorentzian returns the value of the lorentzian function: f = (1 /pi) * (0.5 * fwhm) / (x**2 + (0.5*fwhm)**2) function call r = lorentzian ( x : float , fwhm : float ... The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , value ...

function: N = 0.25 * fwhm_1 * (eta_1 * 1.0126586 + 2.128934) + 0.25 * fwhm_2 * (eta_2 * 1.0126586 + 2.128934) If x < 0: f = (eta_1 * / (1 + 4 * (x / fwhm_1)**2) + (1 - eta_1) * exp(-4*ln2*(x/fwhm_2)**2)) ... 0: f = (eta_2 * / (1 + 4 * (x / fwhm_2)**2) + (1 - eta_2) * exp(-4*ln2*(x/fwhm_2)**2)) / N function call r = split_pseudovoigt ( x : float , ...

Dictionaries List of PyCrysFML08 Functions USE gaussian returns the value of the gaussian function: f = (1 / (sigma * sqrt(2pi))) * exp(-0.5 * (x / sigma)**2) function call r = gaussian ( x : float , fwhm : ... The tuple returned by the function. r[0] : int , error code. If non-zero, an error has occurred. r[1] : str , error message. r[2]: float , ...