'--------------------------------------------------------------
'Input File for simple Rietveld Refinement
'Use save/set current button then run with F6 in topas
'Replace $ and # symbols with text/numbers as needed
'--------------------------------------------------------------

r_wp  9.902 r_exp  9.588 r_p  7.434 r_wp_dash  13.213 r_p_dash  12.105 r_exp_dash  12.793 weighted_Durbin_Watson  0.916 gof  1.033

'--------------------------------------------------------------
'General information about refinement here
'Remove comments as required
'--------------------------------------------------------------

iters 100000
chi2_convergence_criteria 0.001
'do_errors

'--------------------------------------------------------------
'Information on datafile etc here
'Check that default weighting is appropriate for your data
'--------------------------------------------------------------

'Replace rge MAC data file in the next line
xdd 3581-mac-001.xye
	x_calculation_step = Yobs_dx_at(Xo); convolution_step 4
	bkg @  53.2914647` -28.0275915`  21.5321783` -14.6129958`  11.7391713` -10.0915254`  8.36423807` -4.73923597`  1.91438275` -0.235959742` -0.529926448`  1.33974472`
	lam ymin_on_ymax 0.0001 la 1.0 lo 0.826517 lh 0.001
	LP_Factor( 90) 'change the LP correction  or lh value if required
			
	Zero_Error(zero, 0.00401`)
	
' I11 instrumental pararameters
	Rp 48000
	Rs 430
	Slit_Width(0.015)
	Simple_Axial_Model(axial, 6.00617`)

	start_X 10
	finish_X 148

	Absorption(abs, 208.61416`)
	
' Mechanical parameters 

		CS_L(@, 2593.49571`)
		CS_G(@, 878.81821`)
		Strain_L(@, 0.00131`)
		Strain_G(@, 0.01087`)

	hkl_Is
		phase_name LaB6(660a)
		Cubic(@  4.15692`)
		space_group "Pm-3m"