creating ascii output in GUI mode

karsten

Hi everyone,

I would like to share some experience for creating ascii output in GUI mode (Topas 5). For evaluation of in-situ measurements it's a convenient way to export refinement results to Excel. Therefore a few lines have to be added to excisting macros in topas.inc

For example by adding following lines to macro Out_FCF(file) weight percent of all phases are exported (seperated by tab), if the FCF output checkbox is marked for the last active phase

out D:\results.txt append
for xdds {
'Out(file, "%s")
#ifdef newline
Out(Get (r_wp), "\t%4.3f")
#else
Out(Get (r_wp), "\n%4.3f")
#endif
for strs {
load out_record out_fmt out_eqn { "\t%2.2f" =Get(weight_percent);}
}}

or adding following lines to macro Out_CIF_STR(file, with_id) exports phase specific information (seperated by ; ), if the CIF output checkbox is marked

out D:\results.txt append
#ifdef newline
load out_record out_fmt out_eqn { "\t%s" =Get(phase_name);}
#else
load out_record out_fmt out_eqn { "\n%s" =Get(phase_name);}
#define newline
#endif
load out_record out_fmt out_eqn { ";%2.2f" =Get(a);}
load out_record out_fmt out_eqn { ";%2.2f" =Get(b);}
load out_record out_fmt out_eqn { ";%2.2f" =Get(c);}
phase_out D:\results.txt append
load out_record out_fmt out_eqn
{
";%2.0f" = H;
"%2.0f" = K;
"%2.0f" = L;
";%6.1f" = I_no_scale_pks;
";%6.1f" = Iobs_no_scale_pks;
}

and for peak phases macro CS_G(c, v) could be used

phase_out D:\results.txt append
load out_record out_fmt out_eqn { "\t\t%2.1f" = Xo;
"\t%2.3f" = I_no_scale_pks;}