Modified the way the Qrange is calculated. Now, it's using the mid TO…

…F bin value instead of the left value. This refs #4303

Code/Mantid/Framework/PythonAPI/PythonAlgorithms/RefLReduction.py

@@ -1,5 +1,7 @@
 from MantidFramework import *
 from mantidsimple import *
+from numpy import zeros, shape
+import math
 
 class RefLReduction(PythonAlgorithm):
 
@@ -167,9 +169,22 @@ def PyExec(self):
         theta = tthd_rad - ths_rad
 
         if dMD is not None and theta is not None:
+#            _tof_axis = mtd[ws_histo_data].readX(0)
+#            print _tof_axis
+#            _const = float(4) * math.pi * m * dMD / h
+#            _q_axis = 1e-10 * _const * math.sin(theta) / (_tof_axis*1e-6)
+#            q_max = max(_q_axis)
+
             _tof_axis = mtd[ws_histo_data].readX(0)
             _const = float(4) * math.pi * m * dMD / h
-            _q_axis = 1e-10 * _const * math.sin(theta) / (_tof_axis*1e-6)
+            sz_tof = numpy.shape(_tof_axis)[0]
+            _q_axis = zeros(sz_tof-1)
+            for t in range(sz_tof-1):
+                tof1 = _tof_axis[t]
+                tof2 = _tof_axis[t+1]
+                tofm = (tof1+tof2)/2.
+                _Q = _const * math.sin(theta) / (tofm*1e-6)
+                _q_axis[t] = _Q*1e-10
             q_max = max(_q_axis)
 
         wks_utility.createIntegratedWorkspace(mtd[ws_histo_data], 
@@ -184,7 +199,7 @@ def PyExec(self):
                                               source_to_detector=dMD,
                                               sample_to_detector=dSD,
                                               theta=theta,
-                                              geo_correction=True,
+                                              geo_correction=False,
                                               q_binning=[q_min,q_step,q_max])
 
         ConvertToHistogram(InputWorkspace='IntegratedDataWks1',

Code/Mantid/scripts/reduction/instruments/reflectometer/wks_utility.py

@@ -347,6 +347,9 @@ def convertToRvsQ(dMD=-1,theta=-1,tof=None):
             TOF: TOF of pixel
             theta: angle of detector
     """
+    print 'dMD: '
+    print dMD
+    print
 
     _const = float(4) * math.pi * m * dMD / h
     sz_tof = numpy.shape(tof)[0]
@@ -357,6 +360,9 @@ def convertToRvsQ(dMD=-1,theta=-1,tof=None):
         tofm = (tof1+tof2)/2.
         _Q = _const * math.sin(theta) / (tofm*1e-6)
         q_array[t] = _Q*1e-10
+
+    print 'q_array'
+    print q_array
     return q_array
 
 def convertToRvsQWithCorrection(mt, dMD=-1, theta=-1,tof=None, yrange=None, cpix=None):
@@ -398,6 +404,9 @@ def convertToRvsQWithCorrection(mt, dMD=-1, theta=-1,tof=None, yrange=None, cpix
         _px = yrange[x]
         dangle = ref_beamdiv_correct(cpix, mt, dSD, _px)
 
+        print 'dangle:'
+        print dangle
+
         if dangle is not None:
             _theta = theta + dangle
         else:
@@ -410,6 +419,11 @@ def convertToRvsQWithCorrection(mt, dMD=-1, theta=-1,tof=None, yrange=None, cpix
             _Q = _const * math.sin(_theta) / (tofm*1e-6)
             q_array[x,t] = _Q*1e-10
 
+        print 'q_array'
+        print q_array
+
+    print
+
     return q_array
 
 def getQHisto(source_to_detector, theta, tof_array):