Hello,

I am using Topas V4.2 with INP files through the program interface: launch/set INP file option (No Jedit). I have been doing refinement for three months with no problems (batch processing). Suddenly, the following message pops up at the program interface: "Cannot locate fin0 from riet_app_3 in data structures". After that, Topas did not save anymore the .dat files with the results (phase content, lattice parameter, etc...). In other words, Topas reads the INP file, runs the refinements (all the iterations), shows the final results but does not save the .dat files with the results.

Does anyone have any idea how to solve this problem?

Here it is my INP file for two phases:

r_exp 9.161 r_exp_dash 12.351 r_wp 10.750 r_wp_dash 14.494 r_p 7.185 r_p_dash 11.221 weighted_Durbin_Watson 0.089 gof 1.173
xdd "Z:\Test_background\T2_Full\T2_HSX_1050_950_40_10_1-01161.xy"
iters 60
exclude 0 2
exclude 14.8 16
continue_after_convergence
do_errors
r_exp 9.161 r_exp_dash 12.351 r_wp 10.750 r_wp_dash 14.494 r_p 7.185 r_p_dash 11.221 weighted_Durbin_Watson 0.089 gof 1.173
'/*
bkg @ 7.99638089`_2.98783216 49.3472688`_5.65225997 -65.4779759`_4.88266873 27.9826951`_3.78912823 -28.812282`_2.54768219 9.30867591`_1.45517376 -7.76826196`_0.704498077
' parameter "correction" ist die korrektur der Gitterkonstanten damit vorher bei RT a=2.8864 und korrigiert Abstandsfehler der Probe
prm !correction 0.000
'*/
LP_Factor( 90)
'Instrumetal function
lam
ymin_on_ymax 0.001
la 1 lo 0.1263 lh 0.0844 lg 0.4082

prm !LC_my 0.00002 min 0 max 20
lor_fwhm = LC_my;
prm !GC_my 0.00002 min 0 max 20
lor_fwhm = GC_my;
'prm exp_0 0.00845 max 0.1 val_on_continue = Val+ Val*Rand(-0.2, 0.2);
prm !exp_2 -0.00876
User_Defined_Dependence_Convolution(hat, 1/Cos(Th), , 0.02401)
User_Defined_Dependence_Convolution(lor_fwhm, 1/Cos(Th), , 0.00112)
User_Defined_Dependence_Convolution(gauss_fwhm, 1/Cos(Th), , 0.03193)
User_Defined_Dependence_Convolution(circles_conv, 1/Cos(Th), , 0.00099)

' exp_conv_const = exp_0 1/Tan(Th);
'bring_2nd_peak_to_top
exp_conv_const = exp_2 ;
scale_top_peak stp 27196.8369`_5.15155438e+011 min 1e-5 max 1e5

'add_pop_1st_2nd_peak
'x_calculation_step 0.02
x_calculation_step = Yobs_dx_at(Xo);

'/*
str

'LVol_FWHM_CS_G_L( 1, 4489.51014_2036877805795129.20000, 0.89, 5424.90744_3192302289121611.50000,@, 10000.00000_10524573129773774.00000 min 10 max 10000 ,@, 10000.00000_3233754988.83650 min 10 max 10000)
'e0_from_Strain( 0.00004_382.65272,@, 0.00010_1656.61444 min 1e-4 max=maxStr_a; ,@, 0.00010_0.24976 min 1e-4 max=maxStr_a;)

Strain_G(GS_a, 0.00000`_3151.67743 min 1e-6 max=maxStr_a;)
Strain_L(LS_a, 0.07478`_0.04917 min 1e-6 max=maxStr_a;)
prm e0Ma = Voigt_FWHM_GL(GS_a,LS_a) 0.25;

CS_L(CS_La, 2000.00000`_9593.15845 min 10 max 2000)
CS_G(CS_Ga, 2000.00000`_429519.30067 min 10 max 2000)
prm cry_Ma = 1 / IB_from_CS(CS_La, CS_Ga);

prm maxStr_a = 1;
r_bragg 99.5806161
scale @ 5.99366742e-006`_8.41e-008
phase_name "Austenite"
MVW( 225.789, 47.504545`_0.00284187765, 67.880`_0.504)
space_group Fm-3m
Phase_LAC_1_on_cm( 3.07523`_0.00018)
prm aAkorr = Get(a) + correction;
prm volume2 = ( aAkorr)^3;
prm pd_A = (1.6605402 Get(cell_mass) / volume2 );
Phase_Density_g_on_cm3( 7.89255`_0.00047)

Cubic(@ 3.62169`_0.00007)
site F num_posns 4 occ Fe 1 beq Tfe 1.6417`_0.0342 min 0 x 0 y 0 z 0
site C num_posns 4 occ C 0.050 beq !Tc 2.0000_5.9757 min 0 x 0 y 0 z 0.5

prm !sc_A 0.5
PO_Spherical_Harmonics(sh, 8 load sh_Cij_prm {
k00 !sh_c00 1.000
k41 sh_c41 0.03229`_0.00387 min=-sc_A; max=sc_A;
k61 sh_c61 -0.04457`_0.00453 min=-sc_A; max=sc_A;
k81 sh_c81 -0.02662`_0.00653 min=-sc_A; max=sc_A;
} )
scale_pks=sh;
prm !minmaxA 0.7

out "Austenite.dat" append
Out_String(XRDFILE)
Out(aAkorr,"\ta=%11.5f","%11.5f") Out(Get(weight_percent),"\tWp=%11.5f","%11.5f") Out(e0Ma,"\te0=%11.5f","%11.5f") Out(cry_Ma,"\tCry=%11.5f","%11.5f\"n)

str
'LVol_FWHM_CS_G_L( 1, 4489.51014_572664401499841300000.00000, 0.89, 5424.90744_897509843057502980000.00000,@, 10000.00000_2958964133860227400000.00000 min 10 max 10000 ,@, 10000.00000_18723896.73970 min 10 max 10000)
prm !maxStr_c 1
'e0_from_Strain( 0.36913_0.14293,@, 0.90000_0.47358 min 1e-4 max=maxStr_c; ,@, 0.90000_0.51391 min 1e-4 max=maxStr_c;)
prm !sc 0.350000_0.00000
Strain_G(GS_c, 0.16537`_0.19231 min 1e-6 max=maxStr_c;)
Strain_L(LS_c, 0.15141`_0.07707 min 1e-6 max=maxStr_c;)
prm e0Mc = Voigt_FWHM_GL(GS_c,LS_c) 0.25;

CS_L(CS_Lc, 1999.99624`_15923.74449 min 10 max 2000)
CS_G(CS_Gc, 2000.00000`_797695.70281 min 10 max 2000)
prm cry_Mc = 1 / IB_from_CS(CS_Lc, CS_Gc);

r_bragg 98.793059
scale @ 1.12615557e-005`_2.07e-007
phase_name "Bainite"
MVW( 112.270, 24.0601276`_0.002563871, 32.120`_0.504)
space_group Im-3m
Phase_LAC_1_on_cm( 3.02932`_0.00032)
Phase_Density_g_on_cm3( 7.74845`_0.00083)
prm aMkkorr = Get(a) + correction;
prm volume2Mk = ( aMkkorr )^3;
prm pd_Mk = (1.6605402 Get(cell_mass) / volume2Mk );
Cubic(@ 2.88691`_0.00010 min 2.8665 max 2.95)
site Fe num_posns 2 occ Fe 1 beq Tfe 1.6417`_0.0342 x 0 y 0 z 0
site C num_posns 6 occ C 0.008 beq !Tc 2.0000_5.9757 min 0 x 0 y 0 z 0.5
PO_Spherical_Harmonics(sh_MII, 8 load sh_Cij_prm {
k00 !sh_MII_c00 1.00000
k41 sh_MII_c41 -0.05493`_0.02587 min=-sc; max=sc;
k61 sh_MII_c61 0.07542`_0.01717 min=-sc; max=sc;
k81 sh_MII_c81 -0.03514`_0.02111 min=-sc; max=sc;
}
)
scale_pks=sh_MII;

out "Ferrite.dat" append
Out_String(XRDFILE)
Out(aMkkorr,"\ta=%11.5f","%11.5f") Out(Get(weight_percent),"\tWp=%11.5f","%11.5f") Out(e0Mc,"\te0=%11.5f","%11.5f") Out(cry_Mc,"\tCry=%11.5f","%11.5f\"n)