This is an old revision of the document!


'Output refinement fit in IUCr-friendly CIF format 'Using Get(weighting) should work with fixed and variable step/counts 'pdCIFplot seems happy with everything thrown at it so far macro Out_PowderCIFDataBlock(file) {

 out file
 Out_String("loop_")
 Out_String("\n_pd_proc_point_id")
 Out_String("\n_pd_meas_2theta_scan")
 Out_String("\n_pd_proc_intensity_total")
 Out_String("\n_pd_calc_intensity_total")
 Out_String("\n_pd_proc_ls_weight")
 Out_String("\n")      
 xdd_out file append load out_record out_fmt out_eqn
 {

“ %9.0f” = Xi+1; “ %11.5f” = X; “ %11.5f” = Ycalc; “ %11.5f” = Yobs; “ %11.5f\n” = Get(weighting);

 }

}


Personal Tools