I am using the following program to combine time-of-flight (TOF) neutron diffraction data and X-ray diffraction data for refinement, but I have encountered a problem, the program reports the following error：
Maximum number of threads 8
*** Error loading sstring_in
at LINE 119
See log file D:\TOPAS6\topas.log
Error loading sstring_in
at strs
at LINE: 119 of log file
How can I modify the program to achieve joint refinement of time-of-flight neutron data and X-ray data？
I would be very grateful if this could be resolved.
r_wp 48.320 r_exp 10.875 r_p 43.136 r_wp_dash 59.216 r_p_dash 58.165 r_exp_dash 13.327 weighted_Durbin_Watson 0.111 gof 4.443
iters 0
chi2_convergence_criteria 0.001
xdd "E:\XRD refinement\230515-LNMFO-Spinel\LNMFO.XY"
x_calculation_step = Yobs_dx_at(Xo); convolution_step 4
bkg @ 0 0 0 0 0 0
Simple_Axial_Model(axial_x, 10)
LP_Factor( 30)
CuKa2(0.0001)
Specimen_Displacement(!height,0)
str
volume 0
scale @ 0.0001
r_bragg 0
TCHZ_Peak_Type(pku_x, 0.00035,pkv_x, -0.00153,pkw_x, 0.00154,!pkx_x, 0.0000,pky_x, 0.07406,!pkz_x, 0.0000)
'End of X-ray specific structural information here}}}
'--------------------------------------------------------------
r_wp 18.2098458 r_exp 382.3324 r_p 13.1268243 r_wp_dash 26.7759983 r_p_dash 48.7881163 r_exp_dash 562.186621 weighted_Durbin_Watson 0.145984567 gof 0.0476283093
'--------------------------------------------------------------
'General information about refinement here
'Remove comments as required
'--------------------------------------------------------------
iters 100000
chi2_convergence_criteria 0.001
TOF_XYE( GPPD_BANK2_RUN0020695_BIN0.8_VC.xye, 10)
x_calculation_step = Yobs_dx_at(Xo); convolution_step 4
TOF_LAM(0.001)
scale_pks = D_spacing4;
bkg @ 0.132028268-0.060398551 0.01286403820.00577040816 -0.00113230895-0.00605123586
start_X 5731.09
finish_X 43517.99
bkg @ -0.00746187907` -0.00943297133` -0.000953803413` -0.00629181971` -0.00611406353` -0.00112910596`
TOF_LAM(0.001)
TOF_x_axis_calibration(!t0_bs, 16.11, !difc_bs, 11434.61, !difa_bs, 3.95)
wifd_pkshape(!two_theta, 90, !aprm, 2.50000, !tauf_2, 9.80744, !tauf_1, 0.43977, !tauf_0, 0.000, !taus_0, 25.27420, !taus_1, 2.66797, !t_eff, 144.41296, !hhh, 3.58595, !hhh_0, 11.61348)
for xdds {
for strs 1 to 1 {
al lb 90
be lb 90
ga lb 90
a 8.16594
b 8.16594
c 8.16594
space_group "Fd-3m:2"
site O1 x 0.2632 y 0.2632 z 0.2632 occ O-2 1 beq la1 0
site Li1 x 0.125 y 0.125 z 0.125 occ Li+1 1 beq la1 0
site Mn1 x 0.5 y 0.5 z 0.5 occ Mn+4 0.75 beq la1 0
site Ni1 x 0.5 y 0.5 z 0.5 occ Ni+2 0.25 beq la1 0
}}