Changeset 4582

Timestamp:

Oct 4, 2020 2:51:27 PM (16 months ago)

Author:

vondreele

Message:

New image calibration/integration routines for 2-theta stepped detectors. Integration now faster
removed unused variables from peneCorr

Location:

trunk

Files:

• GSASIIimage.py (modified) (7 diffs)
• GSASIIimgGUI.py (modified) (7 diffs)
• GSASIIlattice.py (modified) (1 diff)
• imports/G2img_CBF.py (modified) (3 diffs)

trunk/GSASIIimage.py

@@ -73 +73 @@
     return Inside
     
-def peneCorr(tth,dep,dist,tilt=0.,azm=0.):
+def peneCorr(tth,dep,dist):
     'Needs a doc string'
-#    return dep*(1.-npcosd(abs(tilt*npsind(azm))-tth*npcosd(azm)))  #something wrong here
     return dep*(1.-npcosd(tth))*dist**2/1000.         #best one
-#    return dep*npsind(tth)             #not as good as 1-cos2Q
         
 def makeMat(Angle,Axis):
@@ -182 +180 @@
         tth = 2.0*npasind(parms['wave']/(2.*dsp))
         phi0 = npatan2d(y-parms['det-Y'],x-parms['det-X'])
-        dxy = peneCorr(tth,parms['dep'],parms['dist'],parms['tilt'],phi0)
+        dxy = peneCorr(tth,parms['dep'],parms['dist'])
         stth = npsind(tth)
         cosb = npcosd(parms['tilt'])
@@ -323 +321 @@
         tth = 2.0*npasind(parms['wavelength']/(2.*dsp))
         phi0 = npatan2d(y-detY,x-detX)
-        dxy = peneCorr(tth,parms['dep'],dist-deltaDist,parms['tilt'],phi0)
+        dxy = peneCorr(tth,parms['dep'],dist-deltaDist)
         stth = npsind(tth)
         cosb = npcosd(parms['tilt'])
@@ -469 +467 @@
     tth = 2.0*asind(data['wavelength']/(2.*dsp))
     dist = data['distance']
-    dxy = peneCorr(tth,dep,dist,tilt)
+    dxy = peneCorr(tth,dep,dist)
     return GetEllipse2(tth,dxy,dist,cent,tilt,phi)
         
@@ -546 +544 @@
     Z = np.dot(X,makeMat(tilt,0)).T[2]
     tth = npatand(np.sqrt(dx**2+dy**2-Z**2)/(dist-Z))
-    dxy = peneCorr(tth,dep,dist,tilt,npatan2d(dy,dx))
+    dxy = peneCorr(tth,dep,dist)
     DX = dist-Z+dxy
     DY = np.sqrt(dx**2+dy**2-Z**2)
@@ -565 +563 @@
 def GetTthAzmG(x,y,data):
     '''Give 2-theta, azimuth & geometric corr. values for detector x,y position;
-     calibration info in data - only used in integration
+     calibration info in data - only used in integration - old version
     '''
     'Needs a doc string - checked OK for ellipses & hyperbola'
     tilt = data['tilt']
     dist = data['distance']/npcosd(tilt)
+    MN = -np.inner(makeMat(data['rotation'],2),makeMat(tilt,0))
+    dx = x-data['center'][0]
+    dy = y-data['center'][1]
+    dz = np.dot(np.dstack([dx.T,dy.T,np.zeros_like(dx.T)]),MN).T[2]    
+    xyZ = dx**2+dy**2-dz**2    
+    tth0 = npatand(np.sqrt(xyZ)/(dist-dz))
+    dzp = peneCorr(tth0,data['DetDepth'],dist)
+    tth = npatan2d(np.sqrt(xyZ),dist-dz+dzp) 
+    azm = (npatan2d(dy,dx)+data['azmthOff']+720.)%360.
+    
+    distsq = data['distance']**2
     x0 = data['distance']*nptand(tilt)
     x0x = x0*npcosd(data['rotation'])
     x0y = x0*npsind(data['rotation'])
-    MN = -np.inner(makeMat(data['rotation'],2),makeMat(tilt,0))
-    distsq = data['distance']**2
+    G = ((dx-x0x)**2+(dy-x0y)**2+distsq)/distsq       #for geometric correction = 1/cos(2theta)^2 if tilt=0.
+    return tth,azm,G
+
+def GetTthAzmG2(x,y,data):
+    '''Give 2-theta, azimuth & geometric corr. values for detector x,y position;
+     calibration info in data - only used in integration
+     checked OK for ellipses & hyperbola
+     '''
+     
+    def costth(xyz):
+        u = xyz/nl.norm(xyz,axis=-1)[:,:,nxs]
+        return np.dot(u,np.array([0.,0.,1.]))
+        
+#zero detector 2-theta: tested with tilted images - perfect integrations
     dx = x-data['center'][0]
     dy = y-data['center'][1]
+    tilt = data['tilt']
+    dist = data['distance']/npcosd(tilt)    #sample-beam intersection point
+    T = makeMat(tilt,0)
+    R = makeMat(data['rotation'],2)
+    MN = np.inner(R,np.inner(R,T))
+    dxyz0 = np.inner(np.dstack([dx,dy,np.zeros_like(dx)]),MN)    #correct for 45 deg tilt
+    dxyz0 += np.array([0.,0.,dist])
+    if data['DetDepth']:
+        ctth0 = costth(dxyz0)
+        tth0 = npacosd(ctth0)
+        dzp = peneCorr(tth0,data['DetDepth'],dist,tilt)
+        dxyz0[:,:,2] += dzp
+#non zero detector 2-theta:    
+    tthMat = makeMat(data['det2theta'],1)
+    dxyz = np.inner(dxyz0,tthMat.T)
+    ctth = costth(dxyz)
+    tth = npacosd(ctth)
+    azm = (npatan2d(dxyz[:,:,1],dxyz[:,:,0])+data['azmthOff']+720.)%360.
+# G-calculation        
+    x0 = data['distance']*nptand(tilt)
+    x0x = x0*npcosd(data['rotation'])
+    x0y = x0*npsind(data['rotation'])
+    distsq = data['distance']**2
     G = ((dx-x0x)**2+(dy-x0y)**2+distsq)/distsq       #for geometric correction = 1/cos(2theta)^2 if tilt=0.
-    Z = np.dot(np.dstack([dx.T,dy.T,np.zeros_like(dx.T)]),MN).T[2]
-    xyZ = dx**2+dy**2-Z**2    
-    tth = npatand(np.sqrt(xyZ)/(dist-Z))
-    dxy = peneCorr(tth,data['DetDepth'],dist,tilt,npatan2d(dy,dx))
-    tth = npatan2d(np.sqrt(xyZ),dist-Z+dxy) 
-    azm = (npatan2d(dy,dx)+data['azmthOff']+720.)%360.
     return tth,azm,G
 
@@ -1242 +1280 @@
     if 'SASD' not in data['type']:
         H0 *= np.array(G2pwd.Polarization(data['PolaVal'][0],H2[:-1],0.)[0])
-    H0 /= npcosd(H2[:-1])           #**2? I don't think so, **1 is right for powders
+    H0 /= np.abs(npcosd(H2[:-1]-np.abs(data['det2theta'])))           #parallax correction
     if 'SASD' in data['type']:
         H0 /= npcosd(H2[:-1])           #one more for small angle scattering data?

trunk/GSASIIimgGUI.py

@@ -183 +183 @@
     distSizer.Add(polaCalib,0,WACV)
     mainSizer.Add(distSizer,0)
+#patch
     if 'samplechangerpos' not in data or data['samplechangerpos'] is None:
         data['samplechangerpos'] = 0.0
-    mainSizer.Add(wx.StaticText(G2frame.dataWindow,label='Sample changer position %.2f mm'%data['samplechangerpos']),0,WACV)
+    if 'det2theta' not in data:
+        data['det2theta'] = 0.0
+#end patch
+    tthSizer = wx.BoxSizer(wx.HORIZONTAL)
+    tthSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Detector 2-theta: '),0,WACV)
+    tthSizer.Add(G2G.ValidatedTxtCtrl(G2frame.dataWindow,data,'det2theta',xmin=-180.,xmax=180.,nDig=(10,2)),0,WACV)
+    tthSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Sample changer position %.2f mm '%data['samplechangerpos']),0,WACV)
+    mainSizer.Add(tthSizer,0)
     G2frame.dataWindow.SetDataSize()
 
@@ -191 +199 @@
 ##### Image Controls
 ################################################################################                    
-blkSize = 128   #128 seems to be optimal; will break in polymask if >1024
+blkSize = 128 #128 seems to be optimal; will break in polymask if >1024
 def UpdateImageControls(G2frame,data,masks,useTA=None,useMask=None,IntegrateOnly=False):
     '''Shows and handles the controls on the "Image Controls"
@@ -221 +229 @@
     if 'linescan' not in data:
         data['linescan'] = [False,0.0]      #includes azimuth to draw line scan
+    if 'det2theta' not in data:
+        data['det2theta'] = 0.0
 #end patch
 
@@ -489 +499 @@
                 try:
                     pId = 0
-                    oldData = {'tilt':0.,'distance':0.,'rotation':0.,'center':[0.,0.],'DetDepth':0.,'azmthOff':0.}
+                    oldData = {'tilt':0.,'distance':0.,'rotation':0.,'center':[0.,0.],'DetDepth':0.,'azmthOff':0.,'det2theta':0.}
                     oldMhash = 0
                     for icnt,item in enumerate(items):
@@ -501 +511 @@
                         Data = G2frame.GPXtree.GetItemPyData(CId)
                         same = True
-                        for item in ['tilt','distance','rotation','DetDepth','azmthOff']:
+                        for item in ['tilt','distance','rotation','DetDepth','azmthOff','det2theta']:
                             if Data[item] != oldData[item]:
                                 same = False
@@ -551 +561 @@
                 items = dlg.GetSelections()
                 G2frame.EnablePlot = False
-                for item in items:
+                for item in items:      #preserve some values
                     name = Names[item]
                     Id = G2gd.GetGPXtreeItemId(G2frame,G2frame.root,name)
@@ -561 +571 @@
                     Data['GonioAngles'] = oldData.get('GonioAngles', [0.,0.,0.])
                     Data['samplechangerpos'] = oldData.get('samplechangerpos',0.0)
+                    Data['det2theta'] = oldData.get('det2theta',0.0)
                     Data['ring'] = []
                     Data['rings'] = []

trunk/GSASIIlattice.py

@@ -744 +744 @@
     cosP = np.inner(u,np.inner(G,v))
     return cosP
-    
+
 def CosSinAngle(U,V,G):
     """ calculate sin & cos of angle between U & V in generalized coordinates 

trunk/imports/G2img_CBF.py

@@ -57 +57 @@
     cent = [0,0]
     wave = 1.54187  #default <CuKa>
+    det2theta = 0.0
     dist = 1000.
     byteOrd = '<'
@@ -91 +92 @@
         elif 'Number-of-Elements' in line:
             Npix = int(fields[1])
+        elif 'Detector_2theta' in line:
+            det2theta = float(fields[2])
     nxy = sizexy[0]*sizexy[1]
     cent = [cent[0]*pixSize[0]/1000.,cent[1]*pixSize[1]/1000.]
@@ -105 +108 @@
     image = np.reshape(image,(sizexy[1],sizexy[0]))
     print ('import time: %.3f'%(time.time()-time0))
-    data = {'pixelSize':pixSize,'wavelength':wave,'distance':dist,'center':cent,'size':sizexy}
+    data = {'pixelSize':pixSize,'wavelength':wave,'distance':dist,'center':cent,'size':sizexy,'det2theta':det2theta}
     Npix = sizexy[0]*sizexy[1]