Changeset 1464

Timestamp:

Aug 17, 2014 4:05:35 PM (9 years ago)

Author:

vondreele

Message:

change sig-q & beta-q functionality to be 1/d2 - seems to work better

Location:

trunk

Files:

• GSASIImath.py (modified) (4 diffs)
• GSASIIpwd.py (modified) (1 diff)
• GSASIIstrMath.py (modified) (3 diffs)

trunk/GSASIImath.py

@@ -2049 +2049 @@
     
     '''
-    return ins['sig-0']+ins['sig-1']*dsp**2+ins['sig-2']*dsp**4+ins['sig-q']*dsp
+    return ins['sig-0']+ins['sig-1']*dsp**2+ins['sig-2']*dsp**4+ins['sig-q']/dsp**2
     
 def getTOFsigDeriv(dsp):
@@ -2059 +2059 @@
     
     '''
-    return 1.0,dsp**2,dsp**4,dsp
+    return 1.0,dsp**2,dsp**4,1./dsp**2
     
 def getTOFgamma(ins,dsp):
@@ -2093 +2093 @@
     
     '''
-    return ins['beta-0']+ins['beta-1']/dsp**4+ins['beta-q']/dsp
+    return ins['beta-0']+ins['beta-1']/dsp**4+ins['beta-q']/dsp**2
     
 def getTOFbetaDeriv(dsp):
@@ -2103 +2103 @@
     
     '''
-    return 1.0,1./dsp**4,1./dsp
+    return 1.0,1./dsp**4,1./dsp**2
     
 def getTOFalpha(ins,dsp):

trunk/GSASIIpwd.py

@@ -480 +480 @@
     'needs a doc string'
     sig = lambda Th,U,V,W: 1.17741*math.sqrt(max(0.001,U*tand(Th)**2+V*tand(Th)+W))*math.pi/180.
-    sigTOF = lambda dsp,S0,S1,S2,Sq:  S0+S1*dsp**2+S2*dsp**4+Sq*dsp
+    sigTOF = lambda dsp,S0,S1,S2,Sq:  S0+S1*dsp**2+S2*dsp**4+Sq/dsp**2
     gam = lambda Th,X,Y: (X/cosd(Th)+Y*tand(Th))*math.pi/180.
     gamTOF = lambda dsp,X,Y: X*dsp+Y*dsp**2

trunk/GSASIIstrMath.py

@@ -1612 +1612 @@
     def GetReflSigGamTOF(refl,G,GB,phfx,calcControls,parmDict):
         sig = parmDict[hfx+'sig-0']+parmDict[hfx+'sig-1']*refl[4]**2+   \
-            parmDict[hfx+'sig-2']*refl[4]**4+parmDict[hfx+'sig-q']*refl[4]
+            parmDict[hfx+'sig-2']*refl[4]**4+parmDict[hfx+'sig-q']/refl[4]**2
         gam = parmDict[hfx+'X']*refl[4]+parmDict[hfx+'Y']*refl[4]**2
         Ssig,Sgam = GetSampleSigGam(refl,0.0,G,GB,hfx,phfx,calcControls,parmDict)
@@ -1623 +1623 @@
     def GetReflAlpBet(refl,hfx,parmDict):
         alp = parmDict[hfx+'alpha']/refl[4]
-        bet = parmDict[hfx+'beta-0']+parmDict[hfx+'beta-1']/refl[4]**4+parmDict[hfx+'beta-q']/refl[4]
+        bet = parmDict[hfx+'beta-0']+parmDict[hfx+'beta-1']/refl[4]**4+parmDict[hfx+'beta-q']/refl[4]**2
         return alp,bet
                 
@@ -1883 +1883 @@
                     hfx+'Zero':[dpdZ,'pos'],hfx+'X':[refl[4],'gam'],hfx+'Y':[refl[4]**2,'gam'],
                     hfx+'alpha':[1./refl[4],'alp'],hfx+'beta-0':[1.0,'bet'],hfx+'beta-1':[1./refl[4]**4,'bet'],
-                    hfx+'beta-q':[1./refl[4],'bet'],hfx+'sig-0':[1.0,'sig'],hfx+'sig-1':[refl[4]**2,'sig'],
-                    hfx+'sig-2':[refl[4]**4,'sig'],hfx+'sig-q':[refl[4],'sig'],
+                    hfx+'beta-q':[1./refl[4]**2,'bet'],hfx+'sig-0':[1.0,'sig'],hfx+'sig-1':[refl[4]**2,'sig'],
+                    hfx+'sig-2':[refl[4]**4,'sig'],hfx+'sig-q':[1./refl[4]**2,'sig'],
                     hfx+'Absorption':[dFdAb,'int'],hfx+'Extinction':[dFdEx,'int'],}
             for name in names: