learntopas
Hi,
I am new to TOPAS, and any help is appreciated. I get the following error and log file when I use Out_CIF_STR(file) in INP file. Do you know why this is happening? I am using TOPAS5. I saved refined data as str file in the same folder.
*** Error loading sstring_in
at LINE 8
See log file C:\TOPAS5\topas.log
Cannot locate phase_name from non_fit in data structures
Trying to open C:\Users\chon120\OneDrive - PNNL\Desktop\saehwa pnnl\Crum project\___Crystal data\Data for Nd3BSi2O10\Nd3BSi2O10.inx instead
Cannot open file C:\Users\chon120\OneDrive - PNNL\Desktop\saehwa pnnl\Crum project\___Crystal data\Data for Nd3BSi2O10\Nd3BSi2O10.inx
log file below
r_exp 1.008110118 r_exp_dash 0.7750562052 r_wp 3.589988571 r_wp_dash 2.760058518 r_p 2.571102526 r_p_dash 2.093498509 weighted_Durbin_Watson 0.2592344465 gof 3.561107568
iters 100000
do_errors
out file out_record
out_fmt "\ndata_" out_record
out_eqn = Get(phase_name); : 0
out_fmt "\n_chemical_name_mineral ?%s?" out_record
out_eqn = Get(a); : 0
out_fmt "\n_cell_length_a %V" out_record
out_eqn = Get(b); : 0