Hi Artem
You can output Xo, Iobs_no_scale_pks and its error as follows:
phase_out file load out_record out_fmt out_eqn
{
"%3.0f" = H;
" %3.0f" = K;
" %3.0f" = L;
" %3.0f" = M;
" %11.5f" = D_spacing;
" %11.5f" = 2 Rad Th;
" %11.5f" = Xo;
" %11.5f" = Iobs_no_scale_pks;
" %11.5f\n" = Iobs_no_scale_pks_err;
}
Iobs_no_scale_pks is calculated using the Rietveld decomposition formulae
cheers
alan
-----Original Message-----
From: rietveld_l-requ...@ill.fr [mailto:rietveld_l-requ...@ill.fr] On Behalf Of
Artem Babaryk
Sent: Tuesday, 3 December 2013 6:57 PM
To: Rietveld_l@ill.fr
Subject: modification of TOPAS reporting macro
Dear Colleagues,
Has anybody tried to modify TOPAS macro Create_hklm_d_Th2_Ip_file(file, wI):
phase_out file load out_record out_fmt out_eqn
{
"%3.0f" = H;
" %3.0f" = K;
" %3.0f" = L;
" %3.0f" = M;
" %11.5f" = D_spacing;
" %11.5f" = 2 Rad Th;
" %11.5f\n" = wI;
}
with xo, yo corresponding to peak positions?
Regards,
Artem
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