Changeset 2132 for trunk/GSASIIplot.py

Timestamp:

Jan 22, 2016 10:10:43 AM (7 years ago)

Author:

vondreele

Message:

more rationalization of FWHM calculations

File:

• trunk/GSASIIplot.py (modified) (3 diffs)

trunk/GSASIIplot.py

@@ -2663 +2663 @@
             Z = np.ones_like(X)
             data = G2mth.setPeakparms(Parms,Parms2,X,Z)
-            s = 1.17741*np.sqrt(data[4])*np.pi/18000.
-            g = data[6]*np.pi/36000.
-            G = G2pwd.getgamFW(g,s)
+            s = np.sqrt(data[4])*np.pi/18000.   #var -> sig(radians)
+            g = data[6]*np.pi/18000.    #centideg -> radians
+            G = G2pwd.getgamFW(g,s)/2.  #delt-theta
             Y = s/nptand(X/2.)
             Z = g/nptand(X/2.)
@@ -2674 +2674 @@
             
             fit = G2mth.setPeakparms(Parms,Parms2,X,Z,useFit=True)
-            sf = 1.17741*np.sqrt(fit[4])*np.pi/18000.
-            gf = fit[6]*np.pi/36000.
-            Gf = G2pwd.getgamFW(gf,sf)
+            sf = np.sqrt(fit[4])*np.pi/18000.
+            gf = fit[6]*np.pi/18000.
+            Gf = G2pwd.getgamFW(gf,sf)/2.
             Yf = sf/nptand(X/2.)
             Zf = gf/nptand(X/2.)
@@ -2692 +2692 @@
                 X.append(4.0*math.pi*sind(peak[0]/2.0)/lam)
                 try:
-                    s = 1.17741*math.sqrt(peak[4])*math.pi/18000.
+                    s = math.sqrt(peak[4])*math.pi/18000.
                 except ValueError:
                     s = 0.01
-                g = peak[6]*math.pi/36000.
-                G = G2pwd.getgamFW(g,s)
+                g = peak[6]*math.pi/18000.
+                G = G2pwd.getgamFW(g,s)/2.
                 Y.append(s/tand(peak[0]/2.))
                 Z.append(g/tand(peak[0]/2.))