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====== Insert_Peak ====== A single line macro to add a peak to a Rietveld fit. There are lots of different ways of doing this. The second macro uses fit_obj to plot the peak in the gui. Insert_Peak(twotheta, 20, lor, 0.1, fwhm, 0.15, int, 100) ''Description: add single peak to e.g. rietveld fit ''Description: Insert_Peak(twotheta, 20, lor, 0.1, fwhm, 0.15, int, 100) ''Why: simple one line makes things easier ''Contributed by: John Evans macro Insert_Peak(p1,v1,p2,v2,p3,v3,p4,v4) { #m_argu p1 ''2theta #m_argu p2 ''lor #m_argu p3 ''fwhm #m_argu p4 ''int If_Prm_Eqn_Rpt(p1, v1, min =0.9*v1; max =1.1*v1;) If_Prm_Eqn_Rpt(p2, v2, min .000000000001 max 1) If_Prm_Eqn_Rpt(p3, v3, min .000000000001 max 1) If_Prm_Eqn_Rpt(p4, v4, min .000000000001 max 1e9) xo_Is xo =CeV(p1,v1); peak_type pv pv_lor =CeV(p2,v2); pv_fwhm =CeV(p3,v3); I =CeV(p4,v4); } Insert_Peak_Plot(peak_name,twotheta, 20, lor, 0.1, fwhm, 0.15, int, 100) 'Insert a peak in data using fit_obj to plot macro Insert_Peak_Plot(v0,p1,v1,p2,v2,p3,v3,p4,v4) { #m_argu p1 '2theta #m_argu p2 'lor #m_argu p3 'fwhm #m_argu p4 'int If_Prm_Eqn_Rpt(p1, v1, min =0.9*v1; max =1.1*v1;) If_Prm_Eqn_Rpt(p2, v2, min .000000000001 max 1) If_Prm_Eqn_Rpt(p3, v3, min .000000000001 max 1) If_Prm_Eqn_Rpt(p4, v4, min .000000000001 max 1e9) fit_obj = CeV(p4,v4) * ( CeV(p2,v2) * Lorentzian(CeV(p1,v1),CeV(p3,v3)) + (1 - CeV(p2,v2)) * Gauss(CeV(p1,v1),CeV(p3,v3)) ); dummy_str space_group P1 phase_name v0 weight_percent 0 }