Changeset 998

Timestamp:

Jul 18, 2013 8:53:20 AM (10 years ago)

Author:

vondreele

Message:

make widths correct in Export HKLs from PWD data

Location:

trunk

Files:

• GSASII.py (modified) (1 diff)
• GSASIIplot.py (modified) (3 diffs)
• GSASIIpwd.py (modified) (1 diff)

trunk/GSASII.py

@@ -2160 +2160 @@
                                     file.write('%s \n'%(' h  k  l  m  2-theta wid F**2'))                
                                     for peak in peaks:
-                                        FWHM = G2pwd.getgamFW(peak[7],peak[6])
+                                        FWHM = G2pwd.getgamFW(peak[7],peak[6])/50.      #to get delta-2-theta in deg.
                                         file.write(" %3d %3d %3d %3d %10.5f %10.5f %10.3f \n" % \
                                             (int(peak[0]),int(peak[1]),int(peak[2]),int(peak[3]),peak[5],FWHM,peak[8]))

trunk/GSASIIplot.py

@@ -1315 +1315 @@
             s = 1.17741*np.sqrt(data[4])*np.pi/18000.
             g = data[6]*np.pi/18000.
-            G = gamFW(g,s)
+            G = G2pwd.getgamFW(g,s)
             Y = s/nptand(X/2.)
             Z = g/nptand(X/2.)
@@ -1326 +1326 @@
             sf = 1.17741*np.sqrt(fit[4])*np.pi/18000.
             gf = fit[6]*np.pi/18000.
-            Gf = gamFW(gf,sf)
+            Gf = G2pwd.getgamFW(gf,sf)
             Yf = sf/nptand(X/2.)
             Zf = gf/nptand(X/2.)
@@ -1346 +1346 @@
                     s = 0.01
                 g = peak[6]*math.pi/18000.
-                G = gamFW(g,s)
+                G = G2pwd.getgamFW(g,s)
                 Y.append(s/tand(peak[0]/2.))
                 Z.append(g/tand(peak[0]/2.))

trunk/GSASIIpwd.py

@@ -449 +449 @@
 def getgamFW(g,s):
     'needs a doc string'
-    gamFW = lambda s,g: math.exp(math.log(s**5+2.69269*s**4*g+2.42843*s**3*g**2+4.47163*s**2*g**3+0.07842*s*g**4+g**5)/5.)
+    gamFW = lambda s,g: np.exp(np.log(s**5+2.69269*s**4*g+2.42843*s**3*g**2+4.47163*s**2*g**3+0.07842*s*g**4+g**5)/5.)
     return gamFW(g,s)