'=== FILE HEADER === 
r_wp  13.8646579 r_exp  28.2534351 r_p  14.1730139 r_wp_dash  13.8646579 r_p_dash  14.1730139 r_exp_dash  28.2534351 weighted_Durbin_Watson  0.0765876032 gof  0.490724679 
iters 100000 'Maximum number of iterations of refinement 
chi2_convergence_criteria 0.001 'Stop criteria for refinement 
'do_errors 'Reports errors for each refined value 
'continue_after_convergence 'Continues refinement even after reaching the stop criteria 
 
'=== PDF FILE === 
xdd sno2_dofr.xye 
weighting = 1; 
'=== FILE PREPARATION === 
	pdf_data 
	'rebin_start_x_at 0.00 
	rebin_with_dx_of 0.02		 
	start_X 0 'Removes lower r values from future calculations			 
	finish_X 50 'Removes higher r values from future calculations			 
	dQ_damping(dQ, 0.078977918`)			 
	convolute_SoperLorch(d_zero, 0.0212791797`) 
 
'=== PHASE INFORMATION === 
	str 
		scale @  1.00289327`
		phase_name "Cassiterite" 
		a @  4.742562` 
		b =Get(a);     
		c @  3.190007` 
		al 90.       
		be 90.       
		ga 90.       
		volume  71.749`  
		space_group "P42/mnm" 
		site Sn1 x 0     y 0     z 0 occ Sn 1.0 beq_spherical(beqloSn, 0.11831359`,beqhiSn, 0.347620095`,radius, 5.75238863`) 
		site O1  x o1x  0.30527` y o1x  0.30527` z 0 occ O  1.0 beq_spherical(beqloOx, 0.354836052`,beqhiOx, 2.19378219`,radius, 5.75238863`) 
		pdf_zero -0.01