r_wp  9.25219155 r_wp_dash  14.551355 r_exp  2.22347896 r_exp_dash  3.49696951
r_p  6.85340353 r_p_dash  12.7676453 weighted_Durbin_Watson  0.0641901117 gof  4.16113294
iters 10000000
chi2_convergence_criteria 0.00001
do_errors
'continue_after_convergence
'-------------------------------------------------------------------------------
xdd 11IDB_XXXX.xye
'-------------------------------------------------------------------------------
prm !zero  0
prm R_wp = Get(r_wp);:8.78771
prm !beqLi  1 min 0 max 3
prm !beqTM  0.6 min 0
prm !beqO  1  
prm scale  0.00005`_0.00000               
prm lp_a       2.83070`_0.00037
prm lp_c       14.35643`_0.00182  
prm occLi      0.99878`_0.10030        
prm posO_z     0.24221`_0.00072	 			
prm S_L_NMC    0.51611`_0.02347	 		min 0.1   max 0.8
prm CS_G_NMC   28.86901`_0.57536       min  15  max  100

prm Fe_lp_a   3.58682`_0.00118
prm !Fe_S_L  0.72293_0.02544

prm Al_lp_a  4.06805`
'prm Al_CS_L  100
prm Al_S_G  0.27351`
prm AL_S_L  0.26095`

prm PeakPhasePosition1  2.46893_0.00065
prm Int_P1  0.22048`_0.00576
prm PK1_CS_L  28.08050_1.20829
'-------------------------------------------------------------------------------### Instrumental settings
start_X 2
Zero_Error(zero)
LP_Factor( ,90) 	
Rp 50000
Rs 1000 
lam
	ymin_on_ymax  0.0005
	la  1 lo   0.2113  lh 0.0001
x_calculation_step 0.0001
Simple_Axial_Model( , 2) 

bkg @  983.131406`_4.68979864 -539.4711`_7.48380517  68.9508936`_6.78613843  45.555606`_6.17607274 -44.7125585`_5.26612228  61.0609634`_5.32613142
'-------------------------------------------------------------------------------### NMC phase
str
phase_name "NMC"           
space_group R-3mh
Trigonal( =lp_a;:2.830705`_0.000374, =lp_c;:14.356426`_0.001819)
Strain_L(S_L_NMC)
CS_G(CS_G_NMC)
 site Li     num_posns  3 x  0 y  0 z  0        occ Li  = occLi;         	beq = beqLi;
site Ni     num_posns  3 x  0 y  0 z  0.5      occ Ni  0.8      				beq = beqTM;:  0.60000
site Co     num_posns  3 x  0 y  0 z  0.5      occ Co  0.1		     			beq = beqTM;:  0.60000
site Mn     num_posns  3 x  0 y  0 z  0.5      occ Mn  0.1       	   		beq = beqTM;:  0.60000                          		
site O      num_posns  6 x  0 y  0 z =posO_z;  occ O 1                     beq = beqO;
scale = scale;
r_bragg  3.72771056
MVW( 291.819`_2.088, 99.624`_0.029, 46.010`_0.243)   
'-------------------------------------------------------------------------------### Pawley fit on Fe phase
hkl_Is 
Strain_L(Fe_S_L)
r_bragg  0.235189891
phase_MAC  0.987128264`_0.00603117597
phase_name "Fe"
space_group "Fm-3m"
load hkl_m_d_th2 I 
{
	   1   1   1   8    2.070851       5.84874      @  0.10660
	   2   0   0   6    1.793409       6.75452      @  0.06299
	   2   2   0  12    1.268132       9.55788      @  0.12379
	   3   1   1  24    1.081466      11.21250      @  0.20723
	   2   2   2   8    1.035425      11.71278      @  0.05135
}
Cubic(=Fe_lp_a;) 
'-------------------------------------------------------------------------------### Pawley fit on AL phase
'
'hkl_Is	
'CS_L(Al_CS_L)
'
'Strain(Al_S_G)
'Strain(AL_S_L)
'r_bragg  0.614139286
'phase_MAC  0.962939914
'	phase_name "Al"
'space_group "Fm-3m"
'	load hkl_m_d_th2 I 
'	{
'		   1   1   1   8    2.348691       5.15636      @  0.16683_0.02376
'		   2   0   0   6    2.034026       5.95472      @  0.60607_0.06832
'		   2   2   0  12    1.438274       8.42504      @  0.99962_0.09111
'		   3   1   1  24    1.226564       9.88258      @  0.77913_0.06081
'		   2   2   2   8    1.174345      10.32319     @  0.81556_0.05942
'		   4   0   0   6    1.017013      11.92559     @  0.45047_0.06371
'	}
'Cubic(=Al_lp_a;) '
'-------------------------------------------------------------------------------### peak phase to model Teflon
xo_Is 
xo = PeakPhasePosition1;
peak_type fp
CS_L(PK1_CS_L) 
I = Int_P1;