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--- insert_peak [2012/01/12 02:58] – edit comment markers for auto-colouring rowlesmr
+++ insert_peak [2025/06/05 08:01] (current) – johnsoevans
@@ Line 1: / Line 1: @@
+====== 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)
+<code topas>
+''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);
+}
+</code>
+Insert_Peak_Plot(peak_name,twotheta, 20, lor, 0.1, fwhm, 0.15, int, 100)
+<code topas>
+'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
+	}
+</code>