Merge remote-tracking branch 'refs/remotes/origin/main'

Author: briantoby

GSASII/GSASIIdataGUI.py

@@ -8190,7 +8190,6 @@ def OnPlotAll3DHKL(event):
             'backColor':[0,0,0],'depthFog':False,'Zclip':10.0,'cameraPos':10.,'Zstep':0.05,'viewUp':[0,1,0],
             'Scale':1.0,'oldxy':[],'viewDir':[1,0,0]},'Super':Super,'SuperVec':SuperVec}
         G2plt.Plot3DSngl(G2frame,newPlot=True,Data=controls,hklRef=refList,Title=phaseName)
-        
 
     def OnMergeHKL(event):
         '''Merge HKLF data sets to unique set according to Laue symmetry'''
@@ -8249,7 +8248,6 @@ def OnMergeHKL(event):
             if Nhkl not in Nmerge:
                 Nmerge.update({Nhkl:[1,0],})
                 MaxN = max(MaxN,Nhkl)
-                
             else:
                 Nmerge[Nhkl][0] += 1
             newHKL = list(HKL[0])+list(HKL[1][0])

GSASII/GSASIIddataGUI.py

@@ -937,7 +937,7 @@ def OnFixVals(event):
             if 'Twins' not in UseList[G2frame.hist]:
                 UseList[G2frame.hist]['Twins'] = [[np.array([[1,0,0],[0,1,0],[0,0,1]]),[1.0,False]],]
             if 'Ma' not in UseList[G2frame.hist]['Extinction'][2]:
-                UseList[G2frame.hist]['Extinction'][2].update({'Ma':[1.0,False]})
+                UseList[G2frame.hist]['Extinction'][2].update({'Ma':[0.0,False]})
                 UseList[G2frame.hist]['Extinction'][2].update({'Mb':[0.0,False]})
             if 'Mc' not in UseList[G2frame.hist]['Extinction'][2]:
                 UseList[G2frame.hist]['Extinction'][2].update({'Mc':[0.0,False]})

GSASII/GSASIIstrMath.py

@@ -2745,11 +2745,12 @@ def SCExtinction(ref,im,phfx,hfx,pfx,calcControls,parmDict,varyList):
         PA = np.exp(-parmDict[phfx+'Ma']*FPone)
         PB = np.exp(-parmDict[phfx+'Mb']*FPone**2)
         PC = np.exp(-parmDict[phfx+'Mc']*FPone**3)
-        extCor = (PA + PB + PC)/3.            
-        dervDict[phfx+'Ma'] = -4.*PA*FPone**2
-        dervDict[phfx+'Mb'] = -PB*FPone**4
-        dervDict[phfx+'Mc'] = -PC*FPone**6
-        return extCor,dervDict
+        extCor = (PA + PB + PC)/3.
+        dE2 = 6./extCor**2       
+        dervDict[phfx+'Ma'] = dE2*PA*FPone**2
+        dervDict[phfx+'Mb'] = dE2*PB*FPone**3
+        dervDict[phfx+'Mc'] = dE2*PC*FPone**4
+        return 1./extCor,dervDict
 
     if calcControls[phfx+'EType'] != 'None':
         SQ = 1/(4.*ref[4+im]**2)
@@ -2774,7 +2775,6 @@ def SCExtinction(ref,im,phfx,hfx,pfx,calcControls,parmDict,varyList):
         DScorr = 1.0
         if 'Primary' in calcControls[phfx+'EType']:
             PLZ *= 1.5
-            FPone = ref[9+im]+1.0
             DScorr = 1.
         else:
             if 'C' in parmDict[hfx+'Type']: