william
Hello,
I am using Topas in the "Launch mode". The general ideia is to calculate the phase content, lattice parameter, microstrain and crystallite size from austenite and ferrite phases in a steel.
I am using Jedit to send instructions to Topas and I would like to know how to add a specific function in macro to return the FWHM value from austenite 220 peak in my data together with another results.
The output file (.dat file) is generated through this macro in my template:
out "Data_from_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)
Hope you guys can help me
Best regards
William
alancoelho
Hi William
Its not possible to output the FWHM of a fully calculated peak. The FWHM changes with convolution. You can however output parameters of an equation. For example, you could output the FWHM from a pseudo-Voigt peak type as follows:
str
peak_type pv
pv_lor = ...
pv_fwhm = ...
phase_out FILE_NAME append load out_record out_fmt out_eqn
{
" %4.0f" = H;
" %4.0f" = K;
" %4.0f" = L;
" %9g\n" = Get(pv_fwhm);
}
Note, this FWHM would not be the FWHM of the fully calculated peak which would include convolutions as well as a number of peaks in the emission profile
cheers
alan