diff --git a/src/sas/qtgui/Calculators/GenericScatteringCalculator.py b/src/sas/qtgui/Calculators/GenericScatteringCalculator.py
index 90158959ec..6a8c37c183 100644
--- a/src/sas/qtgui/Calculators/GenericScatteringCalculator.py
+++ b/src/sas/qtgui/Calculators/GenericScatteringCalculator.py
@@ -18,6 +18,8 @@
 
 from twisted.internet import threads
 
+import periodictable
+
 import sas.qtgui.Utilities.GuiUtils as GuiUtils
 from sas.qtgui.Utilities.GenericReader import GenReader
 from sasdata.dataloader.data_info import Detector, Source
@@ -80,7 +82,9 @@ def __init__(self, parent=None):
         self.is_avg = False
         self.is_nuc = False
         self.is_mag = False
+        self.is_beta = False
         self.data_to_plot = None
+        self.data_betaQ = None
         self.graph_num = 1      # index for name of graph
 
         # finish UI setup - install qml window
@@ -562,7 +566,9 @@ def change_is_avg(self):
         # update the averaging option fromthe button on the GUI
         # required as the button may have been previously hidden with
         # any value, and preserves this - we must update the variable to match the GUI
-        self.is_avg = (self.cbOptionsCalc.currentIndex() == 1)
+        self.is_avg = (self.cbOptionsCalc.currentIndex() in (1,2))
+        # did user request Beta(Q) calculation?
+        self.is_beta = (self.cbOptionsCalc.currentIndex() == 2)
         # If averaging then set to 0 and diable the magnetic SLD textboxes
         if self.is_avg:
             self.txtMx.setEnabled(False)
@@ -857,10 +863,69 @@ def update_gui(self):
             self.txtZstepsize.setText(GuiUtils.formatValue(self.mag_sld_data.zstepsize))
         # otherwise leave as set since editable by user
 
+        # update the value of the Radius of Gyration with values from the loaded data
+        if self.is_nuc:
+            if self.nuc_sld_data.is_elements:
+                self.txtROG.setText(str("N/A for Elements"))
+            else:
+                self.txtROG.setText(self.radius_of_gyration() + " Å")
+        elif self.is_mag:
+            self.txtROG.setText(str("N/A for magnetic data"))
+        else:
+            self.txtROG.setText(str("N/A for no data"))
+            
+
         # If nodes or stepsize changed then this may effect what values are allowed
         self.gui_text_changed(sender=self.txtNoQBins)
         self.gui_text_changed(sender=self.txtQxMax)
     
+    def radius_of_gyration(self):
+        #Calculate Center of Mass(CoM) First
+        CoM = self.centerOfMass()
+
+        #Now Calculate RoG
+        RoGNumerator = RoGDenominator = 0.0
+
+        for i in range(len(self.nuc_sld_data.pos_x)):
+            coordinates = [float(self.nuc_sld_data.pos_x[i]),float(self.nuc_sld_data.pos_y[i]),float(self.nuc_sld_data.pos_z[i])]
+            
+            #Coh b - Coherent Scattering Length(fm)
+            cohB = periodictable.elements.symbol(self.nuc_sld_data.pix_symbol[i]).neutron.b_c
+
+            #Calculate the Magnitude of the Coordinate vector for the atom and the center of mass
+            MagnitudeOfCoM = numpy.sqrt(numpy.power(CoM[0]-coordinates[0],2) + numpy.power(CoM[1]-coordinates[1],2) + numpy.power(CoM[2]-coordinates[2],2))
+
+            #Calculate Rate of Gyration (Squared) with the formular
+            RoGNumerator += cohB * (numpy.power(MagnitudeOfCoM,2))
+            RoGDenominator += cohB
+
+        #Avoid division by zero - May occur through contrast matching
+        RoG = str(round(numpy.sqrt(RoGNumerator/RoGDenominator),1)) if RoGDenominator != 0 else "NaN"
+
+        return RoG
+    
+    def centerOfMass(self):
+        """Calculate Center of Mass(CoM) of provided atom"""
+        CoMnumerator= [0.0,0.0,0.0]
+        CoMdenominator = [0.0,0.0,0.0]
+
+        for i in range(len(self.nuc_sld_data.pos_x)):
+            coordinates = [float(self.nuc_sld_data.pos_x[i]),float(self.nuc_sld_data.pos_y[i]),float(self.nuc_sld_data.pos_z[i])]
+            
+            #Coh b - Coherent Scattering Length(fm)
+            cohB = periodictable.elements.symbol(self.nuc_sld_data.pix_symbol[i]).neutron.b_c
+
+            for j in range(3): #sets CiN
+                CoMnumerator[j] += (coordinates[j]*cohB)
+                CoMdenominator[j] += cohB
+
+        CoM = [] 
+        for i in range(3):   
+            CoM.append(CoMnumerator[i]/CoMdenominator[i] if CoMdenominator != 0 else 0) #center of mass, test for division by zero
+        
+        return CoM
+        
+
     def update_geometry_effects(self):
         """This function updates the number of pixels and total volume when the number of nodes/stepsize is changed
 
@@ -998,8 +1063,10 @@ def onReset(self):
             # reset all file data to its default empty state
             self.is_nuc = False
             self.is_mag = False
+            self.is_beta = False
             self.nuc_sld_data = None
             self.mag_sld_data = None
+            self.beta_data = None
             # update the gui for the no files loaded case
             self.change_data_type()
             # verify that the new enabled files are compatible
@@ -1279,6 +1346,7 @@ def onCompute(self):
             self.cancelCalculation = False
             #self.cmdCompute.setEnabled(False)
             d = threads.deferToThread(self.complete, inputs, self._update)
+
             # Add deferred callback for call return
             # d.addCallback(self.plot_1_2d)
             d.addCallback(self.calculateComplete)
@@ -1357,12 +1425,66 @@ def complete(self, input, update=None):
             out = numpy.hstack(out)
             self.data_to_plot = out
             logging.info('Gen computation completed.')
+
+        # if Beta(Q) Calculation has been requested, run calculation
+        if self.is_beta:
+            self.create_betaPlot()
+        
         self.cmdCompute.setText('Compute')
         self.cmdCompute.setToolTip("<html><head/><body><p>Compute the scattering pattern and display 1D or 2D plot depending on the settings.</p></body></html>")
         self.cmdCompute.clicked.disconnect()
         self.cmdCompute.clicked.connect(self.onCompute)
         self.cmdCompute.setEnabled(True)
         return
+    
+    def create_betaPlot(self):
+        """Carry out the compuation of beta Q using provided & calculated data
+        Returns a list of BetaQ values
+
+        """
+        
+        #Center Of Mass Calculation
+        CoM = self.centerOfMass()
+        self.data_betaQ = []
+
+        # Default values
+        xmax = self.qmax_x
+        xmin = self.qmax_x * _Q1D_MIN
+        qstep = self.npts_x
+
+        currentQValue = []
+        formFactor = self.data_to_plot
+
+        for a in range(self.npts_x):  
+            fQ = 0     
+            currentQValue.append(xmin + (xmax - xmin)/(self.npts_x-1)*a)
+     
+            for b in range(len(self.nuc_sld_data.pos_x)):
+                #atoms
+                atomName = str(self.nuc_sld_data.pix_symbol[b])
+                #Coherent Scattering Length of Atom
+                cohB = periodictable.elements.symbol(atomName).neutron.b_c
+
+                x = float(self.nuc_sld_data.pos_x[b])
+                y = float(self.nuc_sld_data.pos_y[b])
+                z = float(self.nuc_sld_data.pos_z[b])
+
+                r_x = x - CoM[0]
+                r_y = y - CoM[1]
+                r_z = z - CoM[2]
+
+                magnitudeRelativeCoordinate = numpy.sqrt(r_x**2 + r_y**2 + r_z**2)
+    
+                fQ +=  (cohB * (numpy.sin(currentQValue[a] * magnitudeRelativeCoordinate) / (currentQValue[a] * magnitudeRelativeCoordinate)))
+
+            #Beta Q Calculation
+            self.data_betaQ.append((fQ**2)/(formFactor[a]))
+
+        #Scale Beta Q to 0-1
+        scalingFactor = self.data_betaQ[0]
+        self.data_betaQ = [x/scalingFactor for x in self.data_betaQ]
+
+        return
 
     def onSaveFile(self):
         """Save data as .sld file"""
@@ -1435,6 +1557,12 @@ def plot_1_2d(self):
             data.yaxis(r'\rm{Intensity}', 'cm^{-1}')
 
             self.graph_num += 1
+            if self.is_beta:
+                dataBetaQ = Data1D(x=self.data.x, y=self.data_betaQ)
+                dataBetaQ.title = "GenSAS {}  #{} BetaQ".format(self.file_name(),
+                                                    int(self.graph_num))
+                dataBetaQ.xaxis(r'\rm{Q_{x}}', r'\AA^{-1}')
+                dataBetaQ.yaxis(r'\rm{Beta(Q)}', 'cm^{-1}')
         else:
             data = Data2D(image=numpy.nan_to_num(self.data_to_plot),
                           qx_data=self.data.qx_data,
@@ -1457,6 +1585,10 @@ def plot_1_2d(self):
         new_item = GuiUtils.createModelItemWithPlot(data, name=data.title)
         self.communicator.updateModelFromPerspectiveSignal.emit(new_item)
         self.communicator.forcePlotDisplaySignal.emit([new_item, data])
+        if self.is_beta:
+            new_item = GuiUtils.createModelItemWithPlot(dataBetaQ, name=dataBetaQ.title)
+            self.communicator.updateModelFromPerspectiveSignal.emit(new_item)
+            self.communicator.forcePlotDisplaySignal.emit([new_item, dataBetaQ])
 
 class Plotter3DWidget(PlotterBase):
     """
diff --git a/src/sas/qtgui/Calculators/UI/GenericScatteringCalculator.ui b/src/sas/qtgui/Calculators/UI/GenericScatteringCalculator.ui
index 0eccfce6e8..e5189be3e8 100644
--- a/src/sas/qtgui/Calculators/UI/GenericScatteringCalculator.ui
+++ b/src/sas/qtgui/Calculators/UI/GenericScatteringCalculator.ui
@@ -36,11 +36,37 @@
     <normaloff>:/res/ball.ico</normaloff>:/res/ball.ico</iconset>
   </property>
   <layout class="QGridLayout" name="gridLayout_12">
+   <item row="1" column="2">
+    <spacer name="horizontalSpacer_2">
+     <property name="orientation">
+      <enum>Qt::Horizontal</enum>
+     </property>
+     <property name="sizeHint" stdset="0">
+      <size>
+       <width>3</width>
+       <height>20</height>
+      </size>
+     </property>
+    </spacer>
+   </item>
+   <item row="0" column="3" rowspan="7" colspan="2">
+    <widget class="Line" name="line">
+     <property name="orientation">
+      <enum>Qt::Vertical</enum>
+     </property>
+    </widget>
+   </item>
+   <item row="0" column="9" rowspan="2" colspan="2">
+    <widget class="Line" name="line">
+     <property name="orientation">
+      <enum>Qt::Vertical</enum>
+     </property>
+    </widget>
+   </item>
    <item row="0" column="0" colspan="2">
     <widget class="QGroupBox" name="groupBox_Datafile">
      <property name="font">
       <font>
-       <weight>50</weight>
        <bold>false</bold>
       </font>
      </property>
@@ -54,7 +80,6 @@
          <widget class="QLabel" name="lblNucData">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -89,7 +114,6 @@
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -117,7 +141,6 @@
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -136,7 +159,6 @@
          <widget class="QLabel" name="lblMagData">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -171,7 +193,6 @@
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -199,7 +220,6 @@
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -218,7 +238,6 @@
          <widget class="QLabel" name="lblShape">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -240,7 +259,6 @@
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -273,7 +291,6 @@
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
@@ -293,10 +310,30 @@
      </layout>
     </widget>
    </item>
-   <item row="0" column="3" rowspan="7" colspan="2">
-    <widget class="Line" name="line">
-     <property name="orientation">
-      <enum>Qt::Vertical</enum>
+   <item row="8" column="5">
+    <widget class="QLabel" name="lblVerifyError">
+     <property name="minimumSize">
+      <size>
+       <width>0</width>
+       <height>30</height>
+      </size>
+     </property>
+     <property name="font">
+      <font>
+       <bold>false</bold>
+      </font>
+     </property>
+     <property name="toolTip">
+      <string>Verification Error</string>
+     </property>
+     <property name="text">
+      <string/>
+     </property>
+     <property name="alignment">
+      <set>Qt::AlignHCenter</set>
+     </property>
+     <property name="wordWrap">
+      <bool>true</bool>
      </property>
     </widget>
    </item>
@@ -304,7 +341,6 @@
     <widget class="QGroupBox" name="groupBox_SLDPixelInfo">
      <property name="font">
       <font>
-       <weight>50</weight>
        <bold>false</bold>
       </font>
      </property>
@@ -316,7 +352,6 @@
        <widget class="QLabel" name="lblNoPixels">
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -342,7 +377,6 @@ Not editable.</string>
         </property>
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -358,7 +392,6 @@ Not editable.</string>
        <widget class="QGroupBox" name="groupBox_5">
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -372,7 +405,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblMx">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -394,7 +426,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -410,7 +441,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnitMx">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -423,7 +453,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblMy">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -445,7 +474,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -461,7 +489,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnitMy">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -474,7 +501,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblMz">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -496,7 +522,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -512,7 +537,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnitMz">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -525,7 +549,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblNucl">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -547,7 +570,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -560,7 +582,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnitNucl">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -578,7 +599,6 @@ Not editable.</string>
        <widget class="QGroupBox" name="groupBox_6">
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -592,7 +612,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblXnodes">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -611,7 +630,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -624,7 +642,6 @@ Not editable.</string>
             <widget class="QLabel" name="label_ynodes">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -643,7 +660,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -656,7 +672,6 @@ Not editable.</string>
             <widget class="QLabel" name="label_znodes">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -675,7 +690,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -693,7 +707,6 @@ Not editable.</string>
        <widget class="QGroupBox" name="groupBox_Stepsize">
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -707,7 +720,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblXstepsize">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -726,7 +738,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -739,7 +750,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnitx">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -752,7 +762,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblYstepsize">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -771,7 +780,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -784,7 +792,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnity">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -797,7 +804,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblZstepsize">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -816,7 +822,6 @@ Not editable.</string>
              </property>
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -829,7 +834,6 @@ Not editable.</string>
             <widget class="QLabel" name="lblUnitz">
              <property name="font">
               <font>
-               <weight>50</weight>
                <bold>false</bold>
               </font>
              </property>
@@ -856,7 +860,6 @@ Not editable.</string>
         </property>
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -897,7 +900,6 @@ Not editable.</string>
         </property>
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -922,14 +924,57 @@ Not editable.</string>
      <zorder>groupBox_Stepsize</zorder>
     </widget>
    </item>
-   <item row="1" column="2">
-    <spacer name="horizontalSpacer_2">
+   <item row="2" column="5" rowspan="5" colspan="8">
+    <layout class="QHBoxLayout" name="coordDisplay"/>
+   </item>
+   <item row="5" column="0">
+    <widget class="QComboBox" name="cbOptionsCalc">
+     <property name="sizePolicy">
+      <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+       <horstretch>0</horstretch>
+       <verstretch>0</verstretch>
+      </sizepolicy>
+     </property>
+     <property name="minimumSize">
+      <size>
+       <width>155</width>
+       <height>23</height>
+      </size>
+     </property>
+     <property name="maximumSize">
+      <size>
+       <width>155</width>
+       <height>26</height>
+      </size>
+     </property>
+     <property name="toolTip">
+      <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Option of orientation to perform calculations:&lt;/p&gt;&lt;p&gt;- Scattering calculated for fixed orientation &amp;#8594; 2D output&lt;/p&gt;&lt;p&gt;- Scattering orientation averaged over all orientations &amp;#8594; 1D output&lt;/p&gt;&lt;p&gt;This choice is only available for pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+     </property>
+     <item>
+      <property name="text">
+       <string>Fixed orientation</string>
+      </property>
+     </item>
+     <item>
+      <property name="text">
+       <string>Debye full avg.</string>
+      </property>
+     </item>
+     <item>
+      <property name="text">
+       <string>Full avg. w/ β(Q)</string>
+      </property>
+     </item>
+    </widget>
+   </item>
+   <item row="6" column="5">
+    <spacer name="horizontalSpacer_6">
      <property name="orientation">
       <enum>Qt::Horizontal</enum>
      </property>
      <property name="sizeHint" stdset="0">
       <size>
-       <width>3</width>
+       <width>40</width>
        <height>20</height>
       </size>
      </property>
@@ -948,80 +993,33 @@ Not editable.</string>
      </property>
     </spacer>
    </item>
-   <item row="1" column="0" rowspan="2" colspan="2">
-    <widget class="QGroupBox" name="groupBox_InputParam">
+   <item row="3" column="0" colspan="2">
+    <widget class="QGroupBox" name="groupBox_Qrange">
      <property name="font">
       <font>
-       <weight>50</weight>
        <bold>false</bold>
       </font>
      </property>
      <property name="title">
-      <string>Input Parameters</string>
+      <string>Q Range</string>
      </property>
-     <layout class="QGridLayout" name="gridLayout_6">
+     <layout class="QGridLayout" name="gridLayout_7">
       <item row="0" column="0">
-       <layout class="QGridLayout" name="gridLayout_InputParam" rowstretch="0,0,0,0,0,0,0,0,0" rowminimumheight="0,0,0,0,0,0,0,0,0">
-        <property name="sizeConstraint">
-         <enum>QLayout::SetMinimumSize</enum>
-        </property>
-        <item row="0" column="0">
-         <widget class="QLabel" name="lblParameter">
-          <property name="font">
-           <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="text">
-           <string>Parameter</string>
-          </property>
-         </widget>
-        </item>
-        <item row="0" column="1">
-         <widget class="QLabel" name="lblValue">
-          <property name="font">
-           <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="text">
-           <string>Value</string>
-          </property>
-         </widget>
-        </item>
-        <item row="0" column="2">
-         <widget class="QLabel" name="lblUnit">
-          <property name="font">
-           <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="text">
-           <string>Unit</string>
-          </property>
-         </widget>
-        </item>
-        <item row="1" column="0">
-         <widget class="QLabel" name="lblUpFracIn">
+       <layout class="QGridLayout" name="gridLayout_3">
+        <item row="1" column="2">
+         <widget class="QLabel" name="lbl5">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons after the analyzer.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-          </property>
           <property name="text">
-           <string>Up_frac_in</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Å&lt;span style=&quot; vertical-align:super;&quot;&gt;-1&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
           </property>
          </widget>
         </item>
         <item row="1" column="1">
-         <widget class="QLineEdit" name="txtUpFracIn">
+         <widget class="QLineEdit" name="txtQxMax">
           <property name="minimumSize">
            <size>
             <width>0</width>
@@ -1030,74 +1028,47 @@ Not editable.</string>
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons after the analyzer.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-          </property>
-          <property name="text">
-           <string>1.0</string>
-          </property>
-         </widget>
-        </item>
-        <item row="2" column="0">
-         <widget class="QLabel" name="lblUpFracOut">
-          <property name="font">
-           <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons before the sample.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-          </property>
           <property name="text">
-           <string>Up_frac_out</string>
+           <string>0.3</string>
           </property>
          </widget>
         </item>
-        <item row="2" column="1">
-         <widget class="QLineEdit" name="txtUpFracOut">
-          <property name="minimumSize">
-           <size>
-            <width>0</width>
-            <height>18</height>
-           </size>
-          </property>
+        <item row="1" column="0">
+         <widget class="QLabel" name="lblQxQyMax">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons before the sample.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Maximum value of Q&lt;span style=&quot; vertical-align:sub;&quot;&gt;x,y&lt;/span&gt;.&lt;/p&gt;&lt;p&gt;Q&lt;span style=&quot; vertical-align:sub;&quot;&gt;x,ymax &lt;/span&gt;&amp;isin; ]0, 1000].&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
           </property>
           <property name="text">
-           <string>1.0</string>
+           <string>Qx (Qy) Max</string>
           </property>
          </widget>
         </item>
-        <item row="3" column="0">
-         <widget class="QLabel" name="lblUpTheta">
+        <item row="0" column="0">
+         <widget class="QLabel" name="lblNoQBins">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>Number of bins in reciprocal space for the 1D or 2D plot generated by 'Compute'.
+Number of Qbins &amp;isin; [2, 1000].</string>
           </property>
           <property name="text">
-           <string>Up_theta</string>
+           <string>No. of Qx (Qy) bins</string>
           </property>
          </widget>
         </item>
-        <item row="3" column="1">
-         <widget class="QLineEdit" name="txtUpTheta">
+        <item row="0" column="1">
+         <widget class="QLineEdit" name="txtNoQBins">
           <property name="minimumSize">
            <size>
             <width>0</width>
@@ -1106,129 +1077,241 @@ Not editable.</string>
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-          </property>
-          <property name="text">
-           <string>0.0</string>
-          </property>
-         </widget>
-        </item>
-        <item row="4" column="0">
-         <widget class="QLabel" name="lblUpPhi">
-          <property name="font">
-           <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-          </property>
-          <property name="text">
-           <string>Up_phi</string>
-          </property>
-         </widget>
-        </item>
-        <item row="3" column="2">
-         <widget class="QLabel" name="lblUpThetaUnit">
-          <property name="font">
-           <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;&lt;span style=&quot; vertical-align:super;&quot;&gt;o&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>30</string>
           </property>
          </widget>
         </item>
-        <item row="4" column="1">
-         <widget class="QLineEdit" name="txtUpPhi">
-          <property name="minimumSize">
-           <size>
-            <width>0</width>
-            <height>18</height>
-           </size>
-          </property>
-          <property name="font">
-           <font>
-            <weight>50</weight>
-            <bold>false</bold>
-           </font>
-          </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+       </layout>
+      </item>
+     </layout>
+    </widget>
+   </item>
+   <item row="8" column="0" colspan="3">
+    <layout class="QGridLayout" name="gridLayout_2">
+     <item row="0" column="0">
+      <spacer name="horizontalSpacer_7">
+       <property name="orientation">
+        <enum>Qt::Horizontal</enum>
+       </property>
+       <property name="sizeHint" stdset="0">
+        <size>
+         <width>40</width>
+         <height>20</height>
+        </size>
+       </property>
+      </spacer>
+     </item>
+     <item row="0" column="3">
+      <widget class="QPushButton" name="cmdClose">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="minimumSize">
+        <size>
+         <width>75</width>
+         <height>23</height>
+        </size>
+       </property>
+       <property name="toolTip">
+        <string>Close the calculator.</string>
+       </property>
+       <property name="text">
+        <string>Close</string>
+       </property>
+       <property name="iconSize">
+        <size>
+         <width>17</width>
+         <height>16</height>
+        </size>
+       </property>
+       <property name="autoDefault">
+        <bool>false</bool>
+       </property>
+      </widget>
+     </item>
+     <item row="0" column="2">
+      <widget class="QPushButton" name="cmdReset">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="minimumSize">
+        <size>
+         <width>75</width>
+         <height>23</height>
+        </size>
+       </property>
+       <property name="toolTip">
+        <string>Reset the interface to its default values</string>
+       </property>
+       <property name="text">
+        <string>Reset</string>
+       </property>
+       <property name="autoDefault">
+        <bool>false</bool>
+       </property>
+      </widget>
+     </item>
+     <item row="0" column="4">
+      <widget class="QPushButton" name="cmdHelp">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="minimumSize">
+        <size>
+         <width>75</width>
+         <height>23</height>
+        </size>
+       </property>
+       <property name="toolTip">
+        <string>Display 'Help' information about the calculator</string>
+       </property>
+       <property name="text">
+        <string>Help</string>
+       </property>
+       <property name="autoDefault">
+        <bool>false</bool>
+       </property>
+      </widget>
+     </item>
+     <item row="0" column="1">
+      <widget class="QPushButton" name="cmdCompute">
+       <property name="sizePolicy">
+        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
+         <horstretch>0</horstretch>
+         <verstretch>0</verstretch>
+        </sizepolicy>
+       </property>
+       <property name="toolTip">
+        <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Compute the scattering pattern and display 1D or 2D plot depending on the settings.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+       </property>
+       <property name="text">
+        <string>Compute</string>
+       </property>
+       <property name="autoDefault">
+        <bool>false</bool>
+       </property>
+      </widget>
+     </item>
+    </layout>
+   </item>
+   <item row="1" column="0" rowspan="2" colspan="2">
+    <widget class="QGroupBox" name="groupBox_InputParam">
+     <property name="font">
+      <font>
+       <bold>false</bold>
+      </font>
+     </property>
+     <property name="title">
+      <string>Input Parameters</string>
+     </property>
+     <layout class="QGridLayout" name="gridLayout_6">
+      <item row="0" column="0">
+       <layout class="QGridLayout" name="gridLayout_InputParam" rowstretch="0,0,0,0,0,0,0,0,0" rowminimumheight="0,0,0,0,0,0,0,0,0">
+        <property name="sizeConstraint">
+         <enum>QLayout::SetMinimumSize</enum>
+        </property>
+        <item row="0" column="0">
+         <widget class="QLabel" name="lblParameter">
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
           </property>
           <property name="text">
-           <string>0.0</string>
+           <string>Parameter</string>
           </property>
          </widget>
         </item>
-        <item row="4" column="2">
-         <widget class="QLabel" name="lblUpPhiUnit">
+        <item row="0" column="1">
+         <widget class="QLabel" name="lblValue">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;&lt;span style=&quot; vertical-align:super;&quot;&gt;o&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>Value</string>
           </property>
          </widget>
         </item>
-        <item row="5" column="1">
-         <widget class="QLineEdit" name="txtBackground">
-          <property name="minimumSize">
-           <size>
-            <width>0</width>
-            <height>18</height>
-           </size>
+        <item row="0" column="2">
+         <widget class="QLabel" name="lblUnit">
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
           </property>
+          <property name="text">
+           <string>Unit</string>
+          </property>
+         </widget>
+        </item>
+        <item row="1" column="0">
+         <widget class="QLabel" name="lblUpFracIn">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons after the analyzer.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
-           <string>0.0</string>
+           <string>Up_frac_in</string>
           </property>
          </widget>
         </item>
-        <item row="5" column="2">
-         <widget class="QLabel" name="lbl2">
+        <item row="1" column="1">
+         <widget class="QLineEdit" name="txtUpFracIn">
+          <property name="minimumSize">
+           <size>
+            <width>0</width>
+            <height>18</height>
+           </size>
+          </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons after the analyzer.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;cm&lt;span style=&quot; vertical-align:super;&quot;&gt;-1&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>1.0</string>
           </property>
          </widget>
         </item>
-        <item row="6" column="0">
-         <widget class="QLabel" name="lblScale">
+        <item row="2" column="0">
+         <widget class="QLabel" name="lblUpFracOut">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons before the sample.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
-           <string>Scale</string>
+           <string>Up_frac_out</string>
           </property>
          </widget>
         </item>
-        <item row="6" column="1">
-         <widget class="QLineEdit" name="txtScale">
+        <item row="2" column="1">
+         <widget class="QLineEdit" name="txtUpFracOut">
           <property name="minimumSize">
            <size>
             <width>0</width>
@@ -1237,30 +1320,34 @@ Not editable.</string>
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Ratio of spin up/(spin up + spin down) neutrons before the sample.&lt;/p&gt;&lt;p&gt;It must be between 0 and 1.&lt;/p&gt;&lt;p&gt;It is equal to 0.5 for unpolarized neutrons.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
            <string>1.0</string>
           </property>
          </widget>
         </item>
-        <item row="7" column="0">
-         <widget class="QLabel" name="lblSolventSLD">
+        <item row="3" column="0">
+         <widget class="QLabel" name="lblUpTheta">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
-           <string>Solvent_SLD</string>
+           <string>Up_theta</string>
           </property>
          </widget>
         </item>
-        <item row="7" column="1">
-         <widget class="QLineEdit" name="txtSolventSLD">
+        <item row="3" column="1">
+         <widget class="QLineEdit" name="txtUpTheta">
           <property name="minimumSize">
            <size>
             <width>0</width>
@@ -1269,33 +1356,46 @@ Not editable.</string>
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
            <string>0.0</string>
           </property>
          </widget>
         </item>
-        <item row="8" column="0">
-         <widget class="QLabel" name="lblTotalVolume">
+        <item row="4" column="0">
+         <widget class="QLabel" name="lblUpPhi">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="toolTip">
-           <string>Default total volume calculated from the pixel information (or natural density for pdb file).</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;p&gt;The editing is disabled if data are from .omf, .sld, .pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
           </property>
           <property name="text">
-           <string>Total volume</string>
+           <string>Up_phi</string>
           </property>
          </widget>
         </item>
-        <item row="8" column="1">
-         <widget class="QLineEdit" name="txtTotalVolume">
+        <item row="3" column="2">
+         <widget class="QLabel" name="lblUpThetaUnit">
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
+          </property>
+          <property name="text">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;&lt;span style=&quot; vertical-align:super;&quot;&gt;o&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
+         </widget>
+        </item>
+        <item row="4" column="1">
+         <widget class="QLineEdit" name="txtUpPhi">
           <property name="minimumSize">
            <size>
             <width>0</width>
@@ -1304,122 +1404,136 @@ Not editable.</string>
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Default total volume calculated from the pixel information (or natural density for pdb file)&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Polarization angle.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
           </property>
           <property name="text">
-           <string>216000.0</string>
+           <string>0.0</string>
           </property>
          </widget>
         </item>
-        <item row="8" column="2">
-         <widget class="QLabel" name="lblUnitVolume">
+        <item row="4" column="2">
+         <widget class="QLabel" name="lblUpPhiUnit">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Å&lt;span style=&quot; vertical-align:super;&quot;&gt;3&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;&lt;span style=&quot; vertical-align:super;&quot;&gt;o&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
           </property>
          </widget>
         </item>
-        <item row="5" column="0">
-         <widget class="QLabel" name="lblBackgd">
+        <item row="5" column="1">
+         <widget class="QLineEdit" name="txtBackground">
+          <property name="minimumSize">
+           <size>
+            <width>0</width>
+            <height>18</height>
+           </size>
+          </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>Background</string>
+           <string>0.0</string>
           </property>
          </widget>
         </item>
-        <item row="7" column="2">
-         <widget class="QLabel" name="lblUnitSolventSLD">
-          <property name="sizePolicy">
-           <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
-            <horstretch>0</horstretch>
-            <verstretch>0</verstretch>
-           </sizepolicy>
+        <item row="5" column="2">
+         <widget class="QLabel" name="lbl2">
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
+          </property>
+          <property name="text">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;cm&lt;span style=&quot; vertical-align:super;&quot;&gt;-1&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
+         </widget>
+        </item>
+        <item row="6" column="0">
+         <widget class="QLabel" name="lblScale">
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
+          </property>
+          <property name="text">
+           <string>Scale</string>
           </property>
+         </widget>
+        </item>
+        <item row="6" column="1">
+         <widget class="QLineEdit" name="txtScale">
           <property name="minimumSize">
            <size>
             <width>0</width>
-            <height>0</height>
+            <height>18</height>
            </size>
           </property>
-          <property name="baseSize">
-           <size>
-            <width>0</width>
-            <height>0</height>
-           </size>
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
+          </property>
+          <property name="text">
+           <string>1.0</string>
           </property>
+         </widget>
+        </item>
+        <item row="7" column="0">
+         <widget class="QLabel" name="lblSolventSLD">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Å&lt;span style=&quot; vertical-align:super;&quot;&gt;-2&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>Solvent_SLD</string>
           </property>
-          <property name="scaledContents">
-           <bool>false</bool>
+         </widget>
+        </item>
+        <item row="7" column="1">
+         <widget class="QLineEdit" name="txtSolventSLD">
+          <property name="minimumSize">
+           <size>
+            <width>0</width>
+            <height>18</height>
+           </size>
           </property>
-          <property name="margin">
-           <number>0</number>
+          <property name="font">
+           <font>
+            <bold>false</bold>
+           </font>
           </property>
-          <property name="indent">
-           <number>-1</number>
+          <property name="text">
+           <string>0.0</string>
           </property>
          </widget>
         </item>
-       </layout>
-      </item>
-     </layout>
-    </widget>
-   </item>
-   <item row="3" column="0" colspan="2">
-    <widget class="QGroupBox" name="groupBox_Qrange">
-     <property name="font">
-      <font>
-       <weight>50</weight>
-       <bold>false</bold>
-      </font>
-     </property>
-     <property name="title">
-      <string>Q Range</string>
-     </property>
-     <layout class="QGridLayout" name="gridLayout_7">
-      <item row="0" column="0">
-       <layout class="QGridLayout" name="gridLayout_3">
-        <item row="0" column="0">
-         <widget class="QLabel" name="lblNoQBins">
+        <item row="8" column="0">
+         <widget class="QLabel" name="lblTotalVolume">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="toolTip">
-           <string>Number of bins in reciprocal space for the 1D or 2D plot generated by 'Compute'.
-Number of Qbins &amp;isin; [2, 1000].</string>
+           <string>Default total volume calculated from the pixel information (or natural density for pdb file).</string>
           </property>
           <property name="text">
-           <string>No. of Qx (Qy) bins</string>
+           <string>Total volume</string>
           </property>
          </widget>
         </item>
-        <item row="0" column="1">
-         <widget class="QLineEdit" name="txtNoQBins">
+        <item row="8" column="1">
+         <widget class="QLineEdit" name="txtTotalVolume">
           <property name="minimumSize">
            <size>
             <width>0</width>
@@ -1428,60 +1542,77 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
+          <property name="toolTip">
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Default total volume calculated from the pixel information (or natural density for pdb file)&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
           <property name="text">
-           <string>30</string>
+           <string>216000.0</string>
           </property>
          </widget>
         </item>
-        <item row="1" column="0">
-         <widget class="QLabel" name="lblQxQyMax">
+        <item row="8" column="2">
+         <widget class="QLabel" name="lblUnitVolume">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
-          <property name="toolTip">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Maximum value of Q&lt;span style=&quot; vertical-align:sub;&quot;&gt;x,y&lt;/span&gt;.&lt;/p&gt;&lt;p&gt;Q&lt;span style=&quot; vertical-align:sub;&quot;&gt;x,ymax &lt;/span&gt;&amp;isin; ]0, 1000].&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-          </property>
           <property name="text">
-           <string>Qx (Qy) Max</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Å&lt;span style=&quot; vertical-align:super;&quot;&gt;3&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
           </property>
          </widget>
         </item>
-        <item row="1" column="1">
-         <widget class="QLineEdit" name="txtQxMax">
-          <property name="minimumSize">
-           <size>
-            <width>0</width>
-            <height>18</height>
-           </size>
-          </property>
+        <item row="5" column="0">
+         <widget class="QLabel" name="lblBackgd">
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>0.3</string>
+           <string>Background</string>
           </property>
          </widget>
         </item>
-        <item row="1" column="2">
-         <widget class="QLabel" name="lbl5">
+        <item row="7" column="2">
+         <widget class="QLabel" name="lblUnitSolventSLD">
+          <property name="sizePolicy">
+           <sizepolicy hsizetype="Preferred" vsizetype="Preferred">
+            <horstretch>0</horstretch>
+            <verstretch>0</verstretch>
+           </sizepolicy>
+          </property>
+          <property name="minimumSize">
+           <size>
+            <width>0</width>
+            <height>0</height>
+           </size>
+          </property>
+          <property name="baseSize">
+           <size>
+            <width>0</width>
+            <height>0</height>
+           </size>
+          </property>
           <property name="font">
            <font>
-            <weight>50</weight>
             <bold>false</bold>
            </font>
           </property>
           <property name="text">
-           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Å&lt;span style=&quot; vertical-align:super;&quot;&gt;-1&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+           <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Å&lt;span style=&quot; vertical-align:super;&quot;&gt;-2&lt;/span&gt;&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
+          </property>
+          <property name="scaledContents">
+           <bool>false</bool>
+          </property>
+          <property name="margin">
+           <number>0</number>
+          </property>
+          <property name="indent">
+           <number>-1</number>
           </property>
          </widget>
         </item>
@@ -1490,18 +1621,10 @@ Number of Qbins &amp;isin; [2, 1000].</string>
      </layout>
     </widget>
    </item>
-   <item row="0" column="9" rowspan="2" colspan="2">
-    <widget class="Line" name="line">
-     <property name="orientation">
-      <enum>Qt::Vertical</enum>
-     </property>
-    </widget>
-   </item>
    <item row="0" column="11" rowspan="2" colspan="2">
     <widget class="QGroupBox" name="groupBox_coordinateInfo">
      <property name="font">
       <font>
-       <weight>50</weight>
        <bold>false</bold>
       </font>
      </property>
@@ -1513,7 +1636,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
        <widget class="QGroupBox" name="groupBox_7">
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -1525,7 +1647,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblEnvYaw">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1547,7 +1668,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
            </property>
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1563,7 +1683,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblEnvYawUnit">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1576,7 +1695,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblEnvPitch">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1598,7 +1716,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
            </property>
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1614,7 +1731,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblEnvPitchUnit">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1627,7 +1743,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblEnvRoll">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1649,7 +1764,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
            </property>
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1665,7 +1779,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblEnvRollUnit">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1681,7 +1794,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
        <widget class="QGroupBox" name="groupBox_7">
         <property name="font">
          <font>
-          <weight>50</weight>
           <bold>false</bold>
          </font>
         </property>
@@ -1693,7 +1805,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblSampleYaw">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1715,7 +1826,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
            </property>
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1731,7 +1841,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblSampleYawUnit">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1744,7 +1853,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblSamplePitch">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1766,7 +1874,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
            </property>
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1782,7 +1889,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblSamplePitchUnit">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1795,7 +1901,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblSampleRoll">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1817,7 +1922,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
            </property>
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1833,7 +1937,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
           <widget class="QLabel" name="lblSampleRollUnit">
            <property name="font">
             <font>
-             <weight>50</weight>
              <bold>false</bold>
             </font>
            </property>
@@ -1848,9 +1951,6 @@ Number of Qbins &amp;isin; [2, 1000].</string>
      </layout>
     </widget>
    </item>
-   <item row="2" column="5" rowspan="5" colspan="8">
-    <layout class="QHBoxLayout" name="coordDisplay"/>
-   </item>
    <item row="3" column="6">
     <spacer name="horizontalSpacer_4">
      <property name="orientation">
@@ -1864,212 +1964,27 @@ Number of Qbins &amp;isin; [2, 1000].</string>
      </property>
     </spacer>
    </item>
-   <item row="5" column="0">
-    <widget class="QComboBox" name="cbOptionsCalc">
-     <property name="sizePolicy">
-      <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
-       <horstretch>0</horstretch>
-       <verstretch>0</verstretch>
-      </sizepolicy>
-     </property>
-     <property name="minimumSize">
-      <size>
-       <width>155</width>
-       <height>23</height>
-      </size>
-     </property>
-     <property name="maximumSize">
-      <size>
-       <width>155</width>
-       <height>26</height>
-      </size>
-     </property>
-     <property name="toolTip">
-      <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Option of orientation to perform calculations:&lt;/p&gt;&lt;p&gt;- Scattering calculated for fixed orientation &amp;#8594; 2D output&lt;/p&gt;&lt;p&gt;- Scattering orientation averaged over all orientations &amp;#8594; 1D output&lt;/p&gt;&lt;p&gt;This choice is only available for pdb files.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-     </property>
-     <item>
-      <property name="text">
-       <string>Fixed orientation</string>
-      </property>
-     </item>
-     <item>
-      <property name="text">
-       <string>Debye full avg.</string>
-      </property>
-     </item>
-    </widget>
-   </item>
-   <item row="5" column="1" rowspan="2">
-    <spacer name="verticalSpacer">
-     <property name="orientation">
-      <enum>Qt::Vertical</enum>
-     </property>
-     <property name="sizeHint" stdset="0">
-      <size>
-       <width>20</width>
-       <height>54</height>
-      </size>
-     </property>
-    </spacer>
-   </item>
-   <item row="6" column="5">
-    <spacer name="horizontalSpacer_6">
-     <property name="orientation">
-      <enum>Qt::Horizontal</enum>
-     </property>
-     <property name="sizeHint" stdset="0">
-      <size>
-       <width>40</width>
-       <height>20</height>
-      </size>
-     </property>
-    </spacer>
-   </item>
-   <item row="7" column="0" colspan="3">
-    <layout class="QGridLayout" name="gridLayout_2">
-     <item row="0" column="0">
-      <spacer name="horizontalSpacer_7">
-       <property name="orientation">
-        <enum>Qt::Horizontal</enum>
-       </property>
-       <property name="sizeHint" stdset="0">
-        <size>
-         <width>40</width>
-         <height>20</height>
-        </size>
-       </property>
-      </spacer>
-     </item>
-     <item row="0" column="1">
-      <widget class="QPushButton" name="cmdCompute">
-       <property name="sizePolicy">
-        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
-         <horstretch>0</horstretch>
-         <verstretch>0</verstretch>
-        </sizepolicy>
-       </property>
-       <property name="toolTip">
-        <string>&lt;html&gt;&lt;head/&gt;&lt;body&gt;&lt;p&gt;Compute the scattering pattern and display 1D or 2D plot depending on the settings.&lt;/p&gt;&lt;/body&gt;&lt;/html&gt;</string>
-       </property>
-       <property name="text">
-        <string>Compute</string>
-       </property>
-       <property name="autoDefault">
-        <bool>false</bool>
-       </property>
-      </widget>
-     </item>
-     <item row="0" column="2">
-      <widget class="QPushButton" name="cmdReset">
-       <property name="sizePolicy">
-        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
-         <horstretch>0</horstretch>
-         <verstretch>0</verstretch>
-        </sizepolicy>
-       </property>
-       <property name="minimumSize">
-        <size>
-         <width>75</width>
-         <height>23</height>
-        </size>
-       </property>
-       <property name="toolTip">
-        <string>Reset the interface to its default values</string>
-       </property>
+   <item row="5" column="1">
+    <layout class="QGridLayout" name="gridLayout_17">
+     <item row="1" column="0">
+      <widget class="QLabel" name="lblROG">
        <property name="text">
-        <string>Reset</string>
-       </property>
-       <property name="autoDefault">
-        <bool>false</bool>
+        <string>Radius of Gyration</string>
        </property>
       </widget>
      </item>
-     <item row="0" column="3">
-      <widget class="QPushButton" name="cmdClose">
-       <property name="sizePolicy">
-        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
-         <horstretch>0</horstretch>
-         <verstretch>0</verstretch>
-        </sizepolicy>
-       </property>
-       <property name="minimumSize">
-        <size>
-         <width>75</width>
-         <height>23</height>
-        </size>
-       </property>
-       <property name="toolTip">
-        <string>Close the calculator.</string>
-       </property>
-       <property name="text">
-        <string>Close</string>
-       </property>
-       <property name="iconSize">
-        <size>
-         <width>17</width>
-         <height>16</height>
-        </size>
-       </property>
-       <property name="autoDefault">
+     <item row="2" column="0">
+      <widget class="QLineEdit" name="txtROG">
+       <property name="enabled">
         <bool>false</bool>
        </property>
-      </widget>
-     </item>
-     <item row="0" column="4">
-      <widget class="QPushButton" name="cmdHelp">
-       <property name="sizePolicy">
-        <sizepolicy hsizetype="Minimum" vsizetype="Fixed">
-         <horstretch>0</horstretch>
-         <verstretch>0</verstretch>
-        </sizepolicy>
-       </property>
-       <property name="minimumSize">
-        <size>
-         <width>75</width>
-         <height>23</height>
-        </size>
-       </property>
-       <property name="toolTip">
-        <string>Display 'Help' information about the calculator</string>
-       </property>
        <property name="text">
-        <string>Help</string>
-       </property>
-       <property name="autoDefault">
-        <bool>false</bool>
+        <string>0</string>
        </property>
       </widget>
      </item>
     </layout>
    </item>
-   <item row="7" column="5">
-    <widget class="QLabel" name="lblVerifyError">
-     <property name="minimumSize">
-      <size>
-       <width>0</width>
-       <height>30</height>
-      </size>
-     </property>
-     <property name="font">
-      <font>
-       <weight>50</weight>
-       <bold>false</bold>
-      </font>
-     </property>
-     <property name="toolTip">
-      <string>Verification Error</string>
-     </property>
-     <property name="text">
-      <string/>
-     </property>
-     <property name="alignment">
-      <set>Qt::AlignHCenter</set>
-     </property>
-     <property name="wordWrap">
-      <bool>true</bool>
-     </property>
-    </widget>
-   </item>
   </layout>
  </widget>
  <tabstops>