diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.h
index 2bb6f7f0130a9b2020af35f140cb87c8e0afda6b..d521c6f5df8cd3f1a374792c42cad55cefb69eef 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.h
@@ -310,6 +310,12 @@ private slots:
/// Slot to load a peaks workspace to the current MantidEV named workspace
void loadIsawPeaks_slot();
+ /// Slot to save the current MantidEV peaks workspace
+ void saveNexusPeaks_slot();
+
+ /// Slot to load a peaks workspace to the current MantidEV named workspace
+ void loadNexusPeaks_slot();
+
/// Slot to show the UB matrix
void showUB_slot();
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.ui b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.ui
index bffc3627533b62b8a837bb18c45adffc169d2487..4906f166dbcb095a57fff07ca31a045459a3fce7 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.ui
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.ui
@@ -20,3442 +20,3435 @@
<string>SCD Event Data Reduction</string>
</property>
<widget class="QWidget" name="centralwidget">
- <layout class="QVBoxLayout" name="verticalLayout">
- <item>
- <widget class="QMenuBar" name="menubar">
- <widget class="QMenu" name="menuFile">
- <property name="title">
- <string>File</string>
- </property>
- <addaction name="actionSave_Isaw_UB"/>
- <addaction name="actionLoad_Isaw_UB"/>
- <addaction name="actionSave_Isaw_Peaks"/>
- <addaction name="actionLoad_Isaw_Peaks"/>
- <addaction name="actionSave_State"/>
- <addaction name="actionLoad_State"/>
- <addaction name="actionReset_Default_Settings"/>
- </widget>
- <widget class="QMenu" name="menuView">
- <property name="title">
- <string>View</string>
- </property>
- <addaction name="actionShow_UB"/>
+ <layout class="QVBoxLayout" name="verticalLayout">
+ <item>
+ <widget class="QMenuBar" name="menubar">
+ <widget class="QMenu" name="menuFile">
+ <property name="title">
+ <string>File</string>
+ </property>
+ <addaction name="actionSave_Isaw_UB"/>
+ <addaction name="actionLoad_Isaw_UB"/>
+ <addaction name="actionSave_Isaw_Peaks"/>
+ <addaction name="actionLoad_Isaw_Peaks"/>
+ <addaction name="actionSave_Nexus_Peaks"/>
+ <addaction name="actionLoad_Nexus_Peaks"/>
+ <addaction name="actionSave_State"/>
+ <addaction name="actionLoad_State"/>
+ <addaction name="actionReset_Default_Settings"/>
+ </widget>
+ <widget class="QMenu" name="menuView">
+ <property name="title">
+ <string>View</string>
+ </property>
+ <addaction name="actionShow_UB"/>
+ </widget>
+ <widget class="QMenu" name="menuHelp">
+ <property name="title">
+ <string>Help</string>
+ </property>
+ <addaction name="actionOnline_Help_Page"/>
+ </widget>
+ <addaction name="menuFile"/>
+ <addaction name="menuView"/>
+ <addaction name="menuHelp"/>
</widget>
- <widget class="QMenu" name="menuHelp">
- <property name="title">
- <string>Help</string>
+ </item>
+ <item>
+ <widget class="QTabWidget" name="MantidEV_tabwidg">
+ <property name="toolTip">
+ <string/>
</property>
- <addaction name="actionOnline_Help_Page"/>
- </widget>
- <addaction name="menuFile"/>
- <addaction name="menuView"/>
- <addaction name="menuHelp"/>
- </widget>
- </item>
- <item>
- <widget class="QTabWidget" name="MantidEV_tabwidg">
- <property name="toolTip">
- <string/>
- </property>
- <property name="currentIndex">
- <number>3</number>
- </property>
- <widget class="QWidget" name="SelectData">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
+ <property name="currentIndex">
+ <number>1</number>
</property>
- <attribute name="title">
- <string>Select Data</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_3">
- <item>
- <widget class="QScrollArea" name="selectDataScrollArea">
- <property name="enabled">
- <bool>true</bool>
- </property>
- <property name="sizePolicy">
- <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
- <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="frameShape">
- <enum>QFrame::NoFrame</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Plain</enum>
- </property>
- <property name="lineWidth">
- <number>0</number>
- </property>
- <property name="verticalScrollBarPolicy">
- <enum>Qt::ScrollBarAsNeeded</enum>
- </property>
- <property name="widgetResizable">
- <bool>true</bool>
- </property>
- <property name="alignment">
- <set>Qt::AlignCenter</set>
- </property>
- <widget class="QWidget" name="scrollAreaWidgetContents">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>903</width>
- <height>708</height>
- </rect>
+ <widget class="QWidget" name="SelectData">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <attribute name="title">
+ <string>Select Data</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_3">
+ <item>
+ <widget class="QScrollArea" name="selectDataScrollArea">
+ <property name="enabled">
+ <bool>true</bool>
+ </property>
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Expanding" vsizetype="Expanding">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
</property>
<property name="minimumSize">
<size>
- <width>500</width>
- <height>500</height>
+ <width>0</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="baseSize">
+ <size>
+ <width>0</width>
+ <height>0</height>
</size>
</property>
- <property name="autoFillBackground">
+ <property name="frameShape">
+ <enum>QFrame::NoFrame</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Plain</enum>
+ </property>
+ <property name="lineWidth">
+ <number>0</number>
+ </property>
+ <property name="verticalScrollBarPolicy">
+ <enum>Qt::ScrollBarAsNeeded</enum>
+ </property>
+ <property name="widgetResizable">
<bool>true</bool>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_7">
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_7">
- <property name="sizeConstraint">
- <enum>QLayout::SetDefaultConstraint</enum>
- </property>
- <item>
- <widget class="QLabel" name="SelectEventWorkspace_lbl">
- <property name="text">
- <string>Event Workspace Name</string>
- </property>
- </widget>
- </item>
- <item>
- <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>
- <widget class="QLineEdit" name="SelectEventWorkspace_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Name of the event workspace to use. This name is set by default,<br> if data is loaded from an event file and mapped to an MD workspace.</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_8">
- <item>
- <widget class="QLabel" name="SelectMDWorkspace_lbl">
- <property name="text">
- <string>MD Workspace Name</string>
- </property>
- </widget>
- </item>
- <item>
- <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>
- <widget class="QLineEdit" name="MDworkspace_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>200</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Name of the MD workspace to use. This name is set<br>by default, if data is loaded from an event file and mapped to an MD workspace.</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QGroupBox" name="convertToMDGroupBox">
- <property name="minimumSize">
- <size>
- <width>0</width>
- <height>160</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Not doing this will use existing workspace</string>
- </property>
- <property name="title">
- <string>Convert to MD</string>
- </property>
- <property name="checkable">
- <bool>true</bool>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_8">
- <item>
- <layout class="QVBoxLayout" name="verticalLayout_4">
- <property name="sizeConstraint">
- <enum>QLayout::SetDefaultConstraint</enum>
- </property>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_3">
- <item>
- <widget class="QLabel" name="MinMagQ_lbl">
- <property name="text">
- <string>Min |Q| to Map to MD</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_2">
- <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>
- <widget class="QLineEdit" name="MinMagQ_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>50</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Specify value to use as bound on |Qx|, |Qy| and |Qz|</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_2">
- <item>
- <widget class="QLabel" name="MaxMagQ_lbl">
- <property name="text">
- <string>Max |Q| to Map to MD</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer">
- <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>
- <widget class="QLineEdit" name="MaxMagQ_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>50</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Specify value to use as bound on |Qx|, |Qy| and |Qz|</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QCheckBox" name="LorentzCorrection_ckbx">
- <property name="toolTip">
- <string>Apply the Lorentz Correction as<br> data is mapped to reciprocal space and stored in the MD workspace. This helps with finding peaks with larger |Q|.</string>
- </property>
- <property name="text">
- <string>Apply Lorentz Correction</string>
- </property>
- </widget>
- </item>
- </layout>
+ <property name="alignment">
+ <set>Qt::AlignCenter</set>
+ </property>
+ <widget class="QWidget" name="scrollAreaWidgetContents">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>903</width>
+ <height>696</height>
+ </rect>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>500</width>
+ <height>500</height>
+ </size>
+ </property>
+ <property name="autoFillBackground">
+ <bool>true</bool>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_7">
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_7">
+ <property name="sizeConstraint">
+ <enum>QLayout::SetDefaultConstraint</enum>
+ </property>
+ <item>
+ <widget class="QLabel" name="SelectEventWorkspace_lbl">
+ <property name="text">
+ <string>Event Workspace Name</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <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>
+ <widget class="QLineEdit" name="SelectEventWorkspace_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>200</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Name of the event workspace to use. This name is set by default,<br> if data is loaded from an event file and mapped to an MD workspace.</string>
+ </property>
+ </widget>
</item>
</layout>
- </widget>
- </item>
- <item>
- <widget class="QGroupBox" name="loadDataGroupBox">
- <property name="minimumSize">
- <size>
- <width>0</width>
- <height>200</height>
- </size>
- </property>
- <property name="toolTip">
- <string>If disabled then use existing workspaces</string>
- </property>
- <property name="title">
- <string>Load Event Data</string>
- </property>
- <property name="checkable">
- <bool>true</bool>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_5">
- <item>
- <layout class="QVBoxLayout" name="verticalLayout_6">
- <property name="sizeConstraint">
- <enum>QLayout::SetDefaultConstraint</enum>
- </property>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_6">
- <item>
- <widget class="QLabel" name="EventFileName_lbl">
- <property name="text">
- <string>Filename</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_5">
- <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>
- <widget class="QLineEdit" name="EventFileName_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>400</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Specify the name of the data file to load. Press<br> return to set default names for Event, MD and Peaks workspaces.</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="SelectEventFile_btn">
- <property name="toolTip">
- <string>Browse for the event file to be loaded.</string>
- </property>
- <property name="text">
- <string>Browse</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QCheckBox" name="LoadDetCal_ckbx">
- <property name="toolTip">
- <string>Optionally, apply<br> calibration information from the specified .DetCal file(s).</string>
- </property>
- <property name="text">
- <string> Load ISAW Detector Calibration</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_5">
- <item>
- <widget class="QLabel" name="CalFileName_lbl">
- <property name="text">
- <string>Filename</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_4">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Expanding</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLineEdit" name="CalFileName_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>400</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Select the .DetCal file to apply.</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="SelectCalFile_btn">
- <property name="toolTip">
- <string>Browse for the first .DetCal file to be used.</string>
- </property>
- <property name="text">
- <string>Browse</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_4">
- <item>
- <widget class="QLabel" name="CalFileName2_lbl">
- <property name="text">
- <string>Filename2</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_3">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Expanding</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLineEdit" name="CalFileName2_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="minimumSize">
- <size>
- <width>400</width>
- <height>0</height>
- </size>
- </property>
- <property name="toolTip">
- <string>Select the second .DetCal file for the second detector<br> panel on the SNAP instrument at the SNS.</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="SelectCalFile2_btn">
- <property name="toolTip">
- <string>Browse for the second .DetCal file to be used<br> for the second panel on SNAP.</string>
- </property>
- <property name="text">
- <string>Browse</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_8">
+ <item>
+ <widget class="QLabel" name="SelectMDWorkspace_lbl">
+ <property name="text">
+ <string>MD Workspace Name</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <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>
+ <widget class="QLineEdit" name="MDworkspace_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>200</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Name of the MD workspace to use. This name is set<br>by default, if data is loaded from an event file and mapped to an MD workspace.</string>
+ </property>
+ </widget>
</item>
</layout>
- </widget>
- </item>
- <item>
- <spacer name="verticalSpacer">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>20</width>
- <height>40</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_9">
- <property name="sizeConstraint">
- <enum>QLayout::SetDefaultConstraint</enum>
- </property>
- <item>
- <spacer name="horizontalSpacer_10">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QPushButton" name="ApplySelectData_btn">
- <property name="toolTip">
- <string>Actually load the data and convert to MD, or just<br> proceed to the next tab using previously loaded data.</string>
- </property>
- <property name="text">
- <string>Apply</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
+ </item>
+ <item>
+ <widget class="QGroupBox" name="convertToMDGroupBox">
+ <property name="minimumSize">
+ <size>
+ <width>0</width>
+ <height>160</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Not doing this will use existing workspace</string>
+ </property>
+ <property name="title">
+ <string>Convert to MD</string>
+ </property>
+ <property name="checkable">
+ <bool>true</bool>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_8">
+ <item>
+ <layout class="QVBoxLayout" name="verticalLayout_4">
+ <property name="sizeConstraint">
+ <enum>QLayout::SetDefaultConstraint</enum>
+ </property>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_3">
+ <item>
+ <widget class="QLabel" name="MinMagQ_lbl">
+ <property name="text">
+ <string>Min |Q| to Map to MD</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_2">
+ <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>
+ <widget class="QLineEdit" name="MinMagQ_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>50</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Specify value to use as bound on |Qx|, |Qy| and |Qz|</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_2">
+ <item>
+ <widget class="QLabel" name="MaxMagQ_lbl">
+ <property name="text">
+ <string>Max |Q| to Map to MD</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer">
+ <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>
+ <widget class="QLineEdit" name="MaxMagQ_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>50</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Specify value to use as bound on |Qx|, |Qy| and |Qz|</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="LorentzCorrection_ckbx">
+ <property name="toolTip">
+ <string>Apply the Lorentz Correction as<br> data is mapped to reciprocal space and stored in the MD workspace. This helps with finding peaks with larger |Q|.</string>
+ </property>
+ <property name="text">
+ <string>Apply Lorentz Correction</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ <item>
+ <widget class="QGroupBox" name="loadDataGroupBox">
+ <property name="minimumSize">
+ <size>
+ <width>0</width>
+ <height>200</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>If disabled then use existing workspaces</string>
+ </property>
+ <property name="title">
+ <string>Load Event Data</string>
+ </property>
+ <property name="checkable">
+ <bool>true</bool>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_5">
+ <item>
+ <layout class="QVBoxLayout" name="verticalLayout_6">
+ <property name="sizeConstraint">
+ <enum>QLayout::SetDefaultConstraint</enum>
+ </property>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_6">
+ <item>
+ <widget class="QLabel" name="EventFileName_lbl">
+ <property name="text">
+ <string>Filename</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_5">
+ <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>
+ <widget class="QLineEdit" name="EventFileName_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>400</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Specify the name of the data file to load. Press<br> return to set default names for Event, MD and Peaks workspaces.</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QPushButton" name="SelectEventFile_btn">
+ <property name="toolTip">
+ <string>Browse for the event file to be loaded.</string>
+ </property>
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="LoadDetCal_ckbx">
+ <property name="toolTip">
+ <string>Optionally, apply<br> calibration information from the specified .DetCal file(s).</string>
+ </property>
+ <property name="text">
+ <string> Load ISAW Detector Calibration</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_5">
+ <item>
+ <widget class="QLabel" name="CalFileName_lbl">
+ <property name="text">
+ <string>Filename</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_4">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Expanding</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="CalFileName_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>400</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Select the .DetCal file to apply.</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QPushButton" name="SelectCalFile_btn">
+ <property name="toolTip">
+ <string>Browse for the first .DetCal file to be used.</string>
+ </property>
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_4">
+ <item>
+ <widget class="QLabel" name="CalFileName2_lbl">
+ <property name="text">
+ <string>Filename2</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_3">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Expanding</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="CalFileName2_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="minimumSize">
+ <size>
+ <width>400</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="toolTip">
+ <string>Select the second .DetCal file for the second detector<br> panel on the SNAP instrument at the SNS.</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QPushButton" name="SelectCalFile2_btn">
+ <property name="toolTip">
+ <string>Browse for the second .DetCal file to be used<br> for the second panel on SNAP.</string>
+ </property>
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </item>
+ <item>
+ <spacer name="verticalSpacer">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_9">
+ <property name="sizeConstraint">
+ <enum>QLayout::SetDefaultConstraint</enum>
+ </property>
+ <item>
+ <spacer name="horizontalSpacer_10">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QPushButton" name="ApplySelectData_btn">
+ <property name="toolTip">
+ <string>Actually load the data and convert to MD, or just<br> proceed to the next tab using previously loaded data.</string>
+ </property>
+ <property name="text">
+ <string>Apply</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
</widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="FindPeaks">
- <attribute name="title">
- <string>Find Peaks</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_9">
- <item>
- <widget class="QScrollArea" name="scrollArea">
- <property name="frameShape">
- <enum>QFrame::NoFrame</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Plain</enum>
- </property>
- <property name="widgetResizable">
- <bool>true</bool>
- </property>
- <widget class="QWidget" name="scrollAreaWidgetContents_2">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>903</width>
- <height>708</height>
- </rect>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="FindPeaks">
+ <attribute name="title">
+ <string>Find Peaks</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_9">
+ <item>
+ <widget class="QScrollArea" name="scrollArea">
+ <property name="frameShape">
+ <enum>QFrame::NoFrame</enum>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_10">
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_10">
- <item>
- <widget class="QLabel" name="PeaksWorkspace_lbl">
- <property name="text">
- <string>Peaks Workspace Name</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_18">
- <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>
- <widget class="QLineEdit" name="PeaksWorkspace_ledt">
- <property name="toolTip">
- <string>Name of the peaks workspace to use. This name is set by default,<br> if data is loaded from an event file and mapped to an MD workspace on the Select Data tab.</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="Line" name="line_2">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QRadioButton" name="FindPeaks_rbtn">
- <property name="toolTip">
- <string>Search through the MD workspace to find Bragg peaks.</string>
- </property>
- <property name="text">
- <string>Find Peaks</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_11">
- <item>
- <spacer name="horizontalSpacer_9">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="MaxABC_lbl">
- <property name="text">
- <string>Estimated Max of a,b,c</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_14">
- <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>
- <widget class="QLineEdit" name="MaxABC_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Estimated maximum for real<br> space cell edge length in Angstroms. This is used to get an approximate lower bound on the possible distances between peaks.</string>
- </property>
- <property name="text">
- <string>15</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_12">
- <item>
- <spacer name="horizontalSpacer_11">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="NumToFind_lbl">
- <property name="text">
- <string>Number of Peaks to Find</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_15">
- <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>
- <widget class="QLineEdit" name="NumToFind_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Maximum number of peaks to find. Boxes with progressively<br> lower local intensity will be tried, until the specified number of peaks is found, or until the intensity falls below the specified Min Intensity.</string>
- </property>
- <property name="text">
- <string>50</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_13">
- <item>
- <spacer name="horizontalSpacer_12">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="MinIntensity_lbl">
- <property name="text">
- <string>Min Intensity(above ave)</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_16">
- <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>
- <widget class="QLineEdit" name="MinIntensity_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Lower bound on the local intensity of MD boxes to consider as possible peaks, expressed as a multiple of the overall average intensity of the entire MD workspace region. Boxes with progressively<br> lower local intensity will be tried, until the specified number of peaks is found, or until the intensity falls below the specified Min Intensity.</string>
- </property>
- <property name="text">
- <string>10000</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="UseExistingPeaksWorkspace_rbtn">
- <property name="toolTip">
- <string>Use a peaks workspace with peaks that have been<br> been previously found, predicted, or loaded. </string>
- </property>
- <property name="text">
- <string>Use Existing Peaks Workspace</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QRadioButton" name="LoadIsawPeaks_rbtn">
- <property name="toolTip">
- <string>Load the peaks workspace from a file of peaks<br> that have been previously found or predicted.</string>
- </property>
- <property name="text">
- <string>Load ISAW Peaks (or Integrate) File</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_14">
- <item>
- <spacer name="horizontalSpacer_13">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="SelectPeaksFile_lbl">
- <property name="text">
- <string>Filename</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_17">
- <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>
- <widget class="QLineEdit" name="SelectPeaksFile_ledt">
- <property name="toolTip">
- <string>Name of the peaks file that should be loaded.</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="SelectPeaksFile_btn">
- <property name="toolTip">
- <string>Browse for the file of peaks to load.</string>
- </property>
- <property name="text">
- <string>Browse</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="verticalSpacer_2">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>20</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_15">
- <item>
- <spacer name="horizontalSpacer_8">
- <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>
- <widget class="QPushButton" name="ApplyFindPeaks_btn">
- <property name="toolTip">
- <string>Proceed to actually get the<br> peaks or use the existing peaks, as specified..</string>
- </property>
- <property name="text">
- <string>Apply</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="FindUB">
- <attribute name="title">
- <string>Find UB</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_11">
- <item>
- <widget class="QScrollArea" name="scrollArea_2">
- <property name="frameShape">
- <enum>QFrame::NoFrame</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Plain</enum>
- </property>
- <property name="widgetResizable">
- <bool>true</bool>
- </property>
- <widget class="QWidget" name="scrollAreaWidgetContents_4">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>903</width>
- <height>708</height>
- </rect>
+ <property name="frameShadow">
+ <enum>QFrame::Plain</enum>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_12">
- <item>
- <widget class="QRadioButton" name="FindUBUsingFFT_rbtn">
- <property name="toolTip">
- <string>Find a UB matrix using the<br> FindUBUsingFFT algorithm. This will produce a UB matrix corresponding to the Niggli reduced cell for the lattice.</string>
- </property>
- <property name="text">
- <string>Find UB Using FFT</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_20">
- <item>
- <spacer name="horizontalSpacer_28">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="MinD_lbl">
- <property name="text">
- <string>Estimated Lower Bound for a,b,c</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_29">
- <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>
- <widget class="QLineEdit" name="MinD_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Set this to a value that is<br> about 50%-90% of the shortest real space edge length, in Angstroms.</string>
- </property>
- <property name="text">
- <string>3</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_21">
- <item>
- <spacer name="horizontalSpacer_27">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="MaxD_lbl">
- <property name="text">
- <string>Estimated Upper Bound for a,b,c</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_30">
- <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>
- <widget class="QLineEdit" name="MaxD_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Set this to a value that is<br> about 110%-150% of the longest real space edge length, in Angstroms.</string>
- </property>
- <property name="text">
- <string>15</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_22">
- <item>
- <spacer name="horizontalSpacer_26">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="FFTTolerance_lbl">
- <property name="text">
- <string>Tolerance</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_31">
- <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>
- <widget class="QLineEdit" name="FFTTolerance_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Maximum distance of h,k or l from integer values to<br> consider a peak to be indexed.</string>
- </property>
- <property name="text">
- <string>0.12</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="FindUBUsingIndexedPeaks_rbtn">
- <property name="toolTip">
- <string>Find the UB matrix using the FindUBUsingIndexedPeaks algorithm. Specifically, if the<br> peaks in the peaks workspace have already been indexed, find the UB matrix that corresponds to that indexing.</string>
- </property>
- <property name="text">
- <string>Find UB Using Indexed Peaks</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_23">
- <item>
- <spacer name="horizontalSpacer_25">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="IndexedPeaksTolerance_lbl">
- <property name="text">
- <string>Tolerance</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_32">
- <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>
- <widget class="QLineEdit" name="IndexedPeaksTolerance_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Maximum distance of h,k or l from integer values to<br> consider a peak to be indexed.</string>
- </property>
- <property name="text">
- <string>0.1</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="LoadISAWUB_rbtn">
- <property name="toolTip">
- <string>Load the UB matrix from a file.</string>
- </property>
- <property name="text">
- <string>Load Isaw UB</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_24">
- <item>
- <spacer name="horizontalSpacer_24">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="SelectUBFile_lbl">
- <property name="text">
- <string>Filename</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_33">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::MinimumExpanding</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLineEdit" name="SelectUBFile_ledt">
- <property name="toolTip">
- <string>Name of the file with the UB matrix.</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="SelectUBFile_btn">
- <property name="toolTip">
- <string>Browse for the file with the UB matrix.</string>
- </property>
- <property name="text">
- <string>Browse</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_31">
- <item>
- <spacer name="horizontalSpacer_23">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="OptimizeGoniometerAngles_ckbx">
- <property name="toolTip">
- <string>Optimize the goniometer<br> angles, to index the peaks as accurately as possible using the UB matrix that was loaded.</string>
- </property>
- <property name="text">
- <string>Optimize Phi, Chi and Omega</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_25">
- <item>
- <spacer name="horizontalSpacer_22">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="MaxGoniometerChange_lbl">
- <property name="text">
- <string>Maximum Change (degrees)</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_34">
- <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>
- <widget class="QLineEdit" name="MaxGoniometerChange_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Maximum number of degrees that CHI, PHI<br> or OMEGA can be changed.</string>
- </property>
- <property name="text">
- <string>5</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_30">
- <item>
- <widget class="QRadioButton" name="UseCurrentUB_rbtn">
- <property name="toolTip">
- <string>If the peaks workspace<br> already has a UB matrix, just use that UB.</string>
- </property>
- <property name="text">
- <string>Use Current UB (if already found or loaded)</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="Line" name="line">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_29">
- <item>
- <widget class="QCheckBox" name="IndexPeaks_ckbx">
- <property name="toolTip">
- <string>After obtaining the UB<br> matrix, index the peaks using that UB.</string>
- </property>
- <property name="text">
- <string>Index Peaks Using UB</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_26">
- <item>
- <spacer name="horizontalSpacer_20">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="IndexingTolerance_lbl">
- <property name="text">
- <string>Indexing Tolerance</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_35">
- <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>
- <widget class="QLineEdit" name="IndexingTolerance_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Only set the h,k,l values on peaks for which the maximum distance of h,k or l from integer values<br> is less than this tolerance.</string>
- </property>
- <property name="text">
- <string>0.12</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_28">
- <item>
- <spacer name="horizontalSpacer_21">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="RoundHKLs_ckbx">
- <property name="toolTip">
- <string>Round the h,k,l values to the nearest integer.</string>
- </property>
- <property name="text">
- <string>Round HKLs</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QCheckBox" name="PredictPeaks_ckbx">
- <property name="text">
- <string>Predict Peaks</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_16">
- <item>
- <spacer name="horizontalSpacer_91">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="min_pred_wl_lbl">
- <property name="maximumSize">
- <size>
- <width>160</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>Minimum wavelength</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_64">
- <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>
- <widget class="QLineEdit" name="min_pred_wl_ledt">
- <property name="minimumSize">
- <size>
- <width>146</width>
- <height>0</height>
- </size>
- </property>
- <property name="maximumSize">
- <size>
- <width>146</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>0.4</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_17">
- <item>
- <spacer name="horizontalSpacer_92">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="max_pred_wl_lbl">
- <property name="maximumSize">
- <size>
- <width>160</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>Maximum wavelength</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_65">
- <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>
- <widget class="QLineEdit" name="max_pred_wl_ledt">
- <property name="maximumSize">
- <size>
- <width>146</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>3.5</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_18">
- <item>
- <spacer name="horizontalSpacer_93">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="min_pred_dspacing_lbl">
- <property name="maximumSize">
- <size>
- <width>160</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>Minimum d-spacing</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_66">
- <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>
- <widget class="QLineEdit" name="min_pred_dspacing_ledt">
- <property name="maximumSize">
- <size>
- <width>146</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>0.4</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_19">
- <item>
- <spacer name="horizontalSpacer_94">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="max_pred_dspacing_lbl">
- <property name="maximumSize">
- <size>
- <width>160</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>Maximum d-spacing</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_67">
- <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>
- <widget class="QLineEdit" name="max_pred_dspacing_ledt">
- <property name="maximumSize">
- <size>
- <width>146</width>
- <height>16777215</height>
- </size>
- </property>
- <property name="text">
- <string>8.5</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="verticalSpacer_3">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>20</width>
- <height>40</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_27">
- <item>
- <spacer name="horizontalSpacer_19">
- <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>
- <widget class="QPushButton" name="ApplyFindUB_btn">
- <property name="toolTip">
- <string>Proceed to actually get the<br> UB matrix and (optionally) index the peaks.</string>
- </property>
- <property name="text">
- <string>Apply</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
- </widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="ChooseCell">
- <attribute name="title">
- <string>Choose Cell</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_13">
- <item>
- <widget class="QScrollArea" name="scrollArea_3">
- <property name="frameShape">
- <enum>QFrame::NoFrame</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Plain</enum>
- </property>
- <property name="widgetResizable">
- <bool>true</bool>
- </property>
- <widget class="QWidget" name="scrollAreaWidgetContents_5">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>903</width>
- <height>708</height>
- </rect>
+ <property name="widgetResizable">
+ <bool>true</bool>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_14">
- <item>
- <widget class="QRadioButton" name="ShowPossibleCells_rbtn">
- <property name="toolTip">
- <string>Show a list of the possible<br> conventional cells in the MantidPlot Results Log window. NOTE: The current UB must correspond to a Niggli reduced cell for these to be valid.</string>
- </property>
- <property name="text">
- <string>Show Possible Cells</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_36">
- <item>
- <spacer name="horizontalSpacer_38">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="MaxScalarError_lbl">
- <property name="text">
- <string>Max Scalar Error </string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_41">
- <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>
- <widget class="QLineEdit" name="MaxScalarError_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Maximum error allowed in the cell<br> scalars. If this is set very large, all possible conventional cells will be shown, including those that don't really match the current cell. If this is set too small, the desired correct cell may be missing from the list due to experimental error. The default value of 0.2 should usually work.</string>
- </property>
- <property name="text">
- <string>0.2</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_35">
- <item>
- <spacer name="horizontalSpacer_37">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="BestCellOnly_ckbx">
- <property name="toolTip">
- <string>Only show the best fitting<br> cell for each cell type and centering that is in the list of possible cells.</string>
- </property>
- <property name="text">
- <string>Best Only</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_351">
- <item>
- <spacer name="horizontalSpacer_371">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="AllowPermutations_ckbx">
- <property name="toolTip">
- <string>Allow permutations of conventional cells.</string>
- </property>
- <property name="text">
- <string>Allow Permutations</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="SelectCellOfType_rbtn">
- <property name="toolTip">
- <string>Transform the current UB<br> matrix and indexing to correspond to the best fitting cell with the specified cell-type and centering.</string>
- </property>
- <property name="text">
- <string>Select Cell of Type</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_33">
- <item>
- <spacer name="horizontalSpacer_39">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QComboBox" name="CellType_cmbx">
- <property name="toolTip">
- <string>The cell-type to be used.</string>
- </property>
- <item>
+ <widget class="QWidget" name="scrollAreaWidgetContents_2">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>903</width>
+ <height>696</height>
+ </rect>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_10">
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_10">
+ <item>
+ <widget class="QLabel" name="PeaksWorkspace_lbl">
+ <property name="text">
+ <string>Peaks Workspace Name</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_18">
+ <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>
+ <widget class="QLineEdit" name="PeaksWorkspace_ledt">
+ <property name="toolTip">
+ <string>Name of the peaks workspace to use. This name is set by default,<br> if data is loaded from an event file and mapped to an MD workspace on the Select Data tab.</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="Line" name="line_2">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="FindPeaks_rbtn">
+ <property name="toolTip">
+ <string>Search through the MD workspace to find Bragg peaks.</string>
+ </property>
+ <property name="text">
+ <string>Find Peaks</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_11">
+ <item>
+ <spacer name="horizontalSpacer_9">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="MaxABC_lbl">
+ <property name="text">
+ <string>Estimated Max of a,b,c</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_14">
+ <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>
+ <widget class="QLineEdit" name="MaxABC_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Estimated maximum for real<br> space cell edge length in Angstroms. This is used to get an approximate lower bound on the possible distances between peaks.</string>
+ </property>
+ <property name="text">
+ <string>15</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_12">
+ <item>
+ <spacer name="horizontalSpacer_11">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="NumToFind_lbl">
+ <property name="text">
+ <string>Number of Peaks to Find</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_15">
+ <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>
+ <widget class="QLineEdit" name="NumToFind_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Maximum number of peaks to find. Boxes with progressively<br> lower local intensity will be tried, until the specified number of peaks is found, or until the intensity falls below the specified Min Intensity.</string>
+ </property>
+ <property name="text">
+ <string>50</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_13">
+ <item>
+ <spacer name="horizontalSpacer_12">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="MinIntensity_lbl">
+ <property name="text">
+ <string>Min Intensity(above ave)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_16">
+ <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>
+ <widget class="QLineEdit" name="MinIntensity_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Lower bound on the local intensity of MD boxes to consider as possible peaks, expressed as a multiple of the overall average intensity of the entire MD workspace region. Boxes with progressively<br> lower local intensity will be tried, until the specified number of peaks is found, or until the intensity falls below the specified Min Intensity.</string>
+ </property>
+ <property name="text">
+ <string>10000</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="UseExistingPeaksWorkspace_rbtn">
+ <property name="toolTip">
+ <string>Use a peaks workspace with peaks that have been<br> been previously found, predicted, or loaded. </string>
+ </property>
+ <property name="text">
+ <string>Use Existing Peaks Workspace</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="LoadIsawPeaks_rbtn">
+ <property name="toolTip">
+ <string>Load the peaks workspace from a file of peaks<br> that have been previously found or predicted.</string>
+ </property>
+ <property name="text">
+ <string>Load ISAW Peaks (or Integrate or Nexus) File</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_14">
+ <item>
+ <spacer name="horizontalSpacer_13">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="SelectPeaksFile_lbl">
+ <property name="text">
+ <string>Filename</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_17">
+ <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>
+ <widget class="QLineEdit" name="SelectPeaksFile_ledt">
+ <property name="toolTip">
+ <string>Name of the peaks file that should be loaded.</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QPushButton" name="SelectPeaksFile_btn">
+ <property name="toolTip">
+ <string>Browse for the file of peaks to load.</string>
+ </property>
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer_2">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_15">
+ <item>
+ <spacer name="horizontalSpacer_8">
+ <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>
+ <widget class="QPushButton" name="ApplyFindPeaks_btn">
+ <property name="toolTip">
+ <string>Proceed to actually get the<br> peaks or use the existing peaks, as specified..</string>
+ </property>
+ <property name="text">
+ <string>Apply</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="FindUB">
+ <attribute name="title">
+ <string>Find UB</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_11">
+ <item>
+ <widget class="QScrollArea" name="scrollArea_2">
+ <property name="frameShape">
+ <enum>QFrame::NoFrame</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Plain</enum>
+ </property>
+ <property name="widgetResizable">
+ <bool>true</bool>
+ </property>
+ <widget class="QWidget" name="scrollAreaWidgetContents_4">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>903</width>
+ <height>696</height>
+ </rect>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_12">
+ <item>
+ <widget class="QRadioButton" name="FindUBUsingFFT_rbtn">
+ <property name="toolTip">
+ <string>Find a UB matrix using the<br> FindUBUsingFFT algorithm. This will produce a UB matrix corresponding to the Niggli reduced cell for the lattice.</string>
+ </property>
+ <property name="text">
+ <string>Find UB Using FFT</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_20">
+ <item>
+ <spacer name="horizontalSpacer_28">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="MinD_lbl">
+ <property name="text">
+ <string>Estimated Lower Bound for a,b,c</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_29">
+ <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>
+ <widget class="QLineEdit" name="MinD_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Set this to a value that is<br> about 50%-90% of the shortest real space edge length, in Angstroms.</string>
+ </property>
+ <property name="text">
+ <string>3</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_21">
+ <item>
+ <spacer name="horizontalSpacer_27">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="MaxD_lbl">
+ <property name="text">
+ <string>Estimated Upper Bound for a,b,c</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_30">
+ <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>
+ <widget class="QLineEdit" name="MaxD_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Set this to a value that is<br> about 110%-150% of the longest real space edge length, in Angstroms.</string>
+ </property>
+ <property name="text">
+ <string>15</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_22">
+ <item>
+ <spacer name="horizontalSpacer_26">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="FFTTolerance_lbl">
+ <property name="text">
+ <string>Tolerance</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_31">
+ <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>
+ <widget class="QLineEdit" name="FFTTolerance_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Maximum distance of h,k or l from integer values to<br> consider a peak to be indexed.</string>
+ </property>
+ <property name="text">
+ <string>0.12</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="FindUBUsingIndexedPeaks_rbtn">
+ <property name="toolTip">
+ <string>Find the UB matrix using the FindUBUsingIndexedPeaks algorithm. Specifically, if the<br> peaks in the peaks workspace have already been indexed, find the UB matrix that corresponds to that indexing.</string>
+ </property>
+ <property name="text">
+ <string>Find UB Using Indexed Peaks</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_23">
+ <item>
+ <spacer name="horizontalSpacer_25">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="IndexedPeaksTolerance_lbl">
+ <property name="text">
+ <string>Tolerance</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_32">
+ <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>
+ <widget class="QLineEdit" name="IndexedPeaksTolerance_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Maximum distance of h,k or l from integer values to<br> consider a peak to be indexed.</string>
+ </property>
+ <property name="text">
+ <string>0.1</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="LoadISAWUB_rbtn">
+ <property name="toolTip">
+ <string>Load the UB matrix from a file.</string>
+ </property>
+ <property name="text">
+ <string>Load Isaw UB</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_24">
+ <item>
+ <spacer name="horizontalSpacer_24">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="SelectUBFile_lbl">
+ <property name="text">
+ <string>Filename</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_33">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::MinimumExpanding</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="SelectUBFile_ledt">
+ <property name="toolTip">
+ <string>Name of the file with the UB matrix.</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QPushButton" name="SelectUBFile_btn">
+ <property name="toolTip">
+ <string>Browse for the file with the UB matrix.</string>
+ </property>
+ <property name="text">
+ <string>Browse</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_31">
+ <item>
+ <spacer name="horizontalSpacer_23">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="OptimizeGoniometerAngles_ckbx">
+ <property name="toolTip">
+ <string>Optimize the goniometer<br> angles, to index the peaks as accurately as possible using the UB matrix that was loaded.</string>
+ </property>
+ <property name="text">
+ <string>Optimize Phi, Chi and Omega</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_25">
+ <item>
+ <spacer name="horizontalSpacer_22">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="MaxGoniometerChange_lbl">
+ <property name="text">
+ <string>Maximum Change (degrees)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_34">
+ <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>
+ <widget class="QLineEdit" name="MaxGoniometerChange_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Maximum number of degrees that CHI, PHI<br> or OMEGA can be changed.</string>
+ </property>
+ <property name="text">
+ <string>5</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_30">
+ <item>
+ <widget class="QRadioButton" name="UseCurrentUB_rbtn">
+ <property name="toolTip">
+ <string>If the peaks workspace<br> already has a UB matrix, just use that UB.</string>
+ </property>
+ <property name="text">
+ <string>Use Current UB (if already found or loaded)</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="Line" name="line">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_29">
+ <item>
+ <widget class="QCheckBox" name="IndexPeaks_ckbx">
+ <property name="toolTip">
+ <string>After obtaining the UB<br> matrix, index the peaks using that UB.</string>
+ </property>
+ <property name="text">
+ <string>Index Peaks Using UB</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_26">
+ <item>
+ <spacer name="horizontalSpacer_20">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="IndexingTolerance_lbl">
+ <property name="text">
+ <string>Indexing Tolerance</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_35">
+ <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>
+ <widget class="QLineEdit" name="IndexingTolerance_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Only set the h,k,l values on peaks for which the maximum distance of h,k or l from integer values<br> is less than this tolerance.</string>
+ </property>
+ <property name="text">
+ <string>0.12</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_28">
+ <item>
+ <spacer name="horizontalSpacer_21">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="RoundHKLs_ckbx">
+ <property name="toolTip">
+ <string>Round the h,k,l values to the nearest integer.</string>
+ </property>
+ <property name="text">
+ <string>Round HKLs</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="PredictPeaks_ckbx">
+ <property name="text">
+ <string>Predict Peaks</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_16">
+ <item>
+ <spacer name="horizontalSpacer_91">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="min_pred_wl_lbl">
+ <property name="maximumSize">
+ <size>
+ <width>160</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>Minimum wavelength</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_64">
+ <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>
+ <widget class="QLineEdit" name="min_pred_wl_ledt">
+ <property name="minimumSize">
+ <size>
+ <width>146</width>
+ <height>0</height>
+ </size>
+ </property>
+ <property name="maximumSize">
+ <size>
+ <width>146</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>0.4</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_17">
+ <item>
+ <spacer name="horizontalSpacer_92">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="max_pred_wl_lbl">
+ <property name="maximumSize">
+ <size>
+ <width>160</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>Maximum wavelength</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_65">
+ <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>
+ <widget class="QLineEdit" name="max_pred_wl_ledt">
+ <property name="maximumSize">
+ <size>
+ <width>146</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>3.5</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_18">
+ <item>
+ <spacer name="horizontalSpacer_93">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="min_pred_dspacing_lbl">
+ <property name="maximumSize">
+ <size>
+ <width>160</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>Minimum d-spacing</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_66">
+ <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>
+ <widget class="QLineEdit" name="min_pred_dspacing_ledt">
+ <property name="maximumSize">
+ <size>
+ <width>146</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>0.4</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_19">
+ <item>
+ <spacer name="horizontalSpacer_94">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="max_pred_dspacing_lbl">
+ <property name="maximumSize">
+ <size>
+ <width>160</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>Maximum d-spacing</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_67">
+ <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>
+ <widget class="QLineEdit" name="max_pred_dspacing_ledt">
+ <property name="maximumSize">
+ <size>
+ <width>146</width>
+ <height>16777215</height>
+ </size>
+ </property>
+ <property name="text">
+ <string>8.5</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer_3">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_27">
+ <item>
+ <spacer name="horizontalSpacer_19">
+ <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>
+ <widget class="QPushButton" name="ApplyFindUB_btn">
+ <property name="toolTip">
+ <string>Proceed to actually get the<br> UB matrix and (optionally) index the peaks.</string>
+ </property>
+ <property name="text">
+ <string>Apply</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="ChooseCell">
+ <attribute name="title">
+ <string>Choose Cell</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_13">
+ <item>
+ <widget class="QScrollArea" name="scrollArea_3">
+ <property name="frameShape">
+ <enum>QFrame::NoFrame</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Plain</enum>
+ </property>
+ <property name="widgetResizable">
+ <bool>true</bool>
+ </property>
+ <widget class="QWidget" name="scrollAreaWidgetContents_5">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>903</width>
+ <height>696</height>
+ </rect>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_14">
+ <item>
+ <widget class="QRadioButton" name="ShowPossibleCells_rbtn">
+ <property name="toolTip">
+ <string>Show a list of the possible<br> conventional cells in the MantidPlot Results Log window. NOTE: The current UB must correspond to a Niggli reduced cell for these to be valid.</string>
+ </property>
+ <property name="text">
+ <string>Show Possible Cells</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_36">
+ <item>
+ <spacer name="horizontalSpacer_38">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="MaxScalarError_lbl">
+ <property name="text">
+ <string>Max Scalar Error </string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_41">
+ <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>
+ <widget class="QLineEdit" name="MaxScalarError_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Maximum error allowed in the cell<br> scalars. If this is set very large, all possible conventional cells will be shown, including those that don't really match the current cell. If this is set too small, the desired correct cell may be missing from the list due to experimental error. The default value of 0.2 should usually work.</string>
+ </property>
+ <property name="text">
+ <string>0.2</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_35">
+ <item>
+ <spacer name="horizontalSpacer_37">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="BestCellOnly_ckbx">
+ <property name="toolTip">
+ <string>Only show the best fitting<br> cell for each cell type and centering that is in the list of possible cells.</string>
+ </property>
+ <property name="text">
+ <string>Best Only</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_351">
+ <item>
+ <spacer name="horizontalSpacer_371">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="AllowPermutations_ckbx">
+ <property name="toolTip">
+ <string>Allow permutations of conventional cells.</string>
+ </property>
+ <property name="text">
+ <string>Allow Permutations</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="SelectCellOfType_rbtn">
+ <property name="toolTip">
+ <string>Transform the current UB<br> matrix and indexing to correspond to the best fitting cell with the specified cell-type and centering.</string>
+ </property>
+ <property name="text">
+ <string>Select Cell of Type</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_33">
+ <item>
+ <spacer name="horizontalSpacer_39">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QComboBox" name="CellType_cmbx">
+ <property name="toolTip">
+ <string>The cell-type to be used.</string>
+ </property>
+ <item>
+ <property name="text">
+ <string>Cubic</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Hexagonal</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Monoclinic</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Orthorhombic</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Rhombohedral</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Tetragonal</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Triclinic</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item>
+ <widget class="QComboBox" name="CellCentering_cmbx">
+ <property name="toolTip">
+ <string>The centering to be used.</string>
+ </property>
+ <item>
+ <property name="text">
+ <string>C</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>F</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>I</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>P</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>R</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_42">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="SelectCellWithForm_rbtn">
+ <property name="toolTip">
+ <string>Transform the current UB<br> matrix and indexing to correspond to the cell with the specified Form number, as shown in the list of possible cells.</string>
+ </property>
+ <property name="text">
+ <string>Select Cell With Form</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_34">
+ <item>
+ <spacer name="horizontalSpacer_40">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QComboBox" name="CellFormNumber_cmbx">
+ <property name="toolTip">
+ <string>The Form number of the<br> desired conventional cell.</string>
+ </property>
+ <item>
+ <property name="text">
+ <string>1</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>2</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>3</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>4</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>5</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>6</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>7</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>8</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>9</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>10</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>11</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>12</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>13</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>14</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>15</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>16</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>17</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>18</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>19</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>20</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>21</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>22</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>23</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>24</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>25</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>26</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>27</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>28</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>29</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>30</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>31</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>32</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>33</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>34</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>35</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>36</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>37</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>38</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>39</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>40</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>41</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>42</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>43</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>44</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_43">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>20</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer_4">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_32">
+ <item>
+ <spacer name="horizontalSpacer_36">
+ <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>
+ <widget class="QPushButton" name="ApplyChooseCell_btn">
+ <property name="toolTip">
+ <string>Proceed to show the<br> possible cells, or change the UB matrix and indexing, according to the options selected.</string>
+ </property>
<property name="text">
- <string>Cubic</string>
+ <string>Apply</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="ChangeHKL">
+ <attribute name="title">
+ <string>Change HKL</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_15">
+ <item>
+ <widget class="QScrollArea" name="scrollArea_4">
+ <property name="frameShape">
+ <enum>QFrame::NoFrame</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Plain</enum>
+ </property>
+ <property name="widgetResizable">
+ <bool>true</bool>
+ </property>
+ <widget class="QWidget" name="scrollAreaWidgetContents_6">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>903</width>
+ <height>696</height>
+ </rect>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_16">
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_37">
+ <item>
+ <widget class="QLabel" name="HKL_Transfrom_lbl">
+ <property name="toolTip">
+ <string>Transform the UB matrix<br> and peak indexes using the specified 3X3 matrix.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>Hexagonal</string>
+ <string>Specify 3x3 Matrix to Apply to HKL</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_38">
+ <item>
+ <spacer name="horizontalSpacer_48">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="HKL_Tran_Row_1_lbl">
<property name="text">
- <string>Monoclinic</string>
+ <string>HKL Transformation, Row 1</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_45">
+ <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>
+ <widget class="QLineEdit" name="HKL_tran_row_1_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>First row of the<br> transformation matrix to apply the HKL indexes.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>Orthorhombic</string>
+ <string>1, 0, 0</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_39">
+ <item>
+ <spacer name="horizontalSpacer_49">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="HKL_Tran_Row_2_lbl">
<property name="text">
- <string>Rhombohedral</string>
+ <string>HKL Transformation, Row 2</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_46">
+ <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>
+ <widget class="QLineEdit" name="HKL_tran_row_2_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Second row of the<br> transformation matrix to apply the HKL indexes.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>Tetragonal</string>
+ <string>0, 1, 0</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_40">
+ <item>
+ <spacer name="horizontalSpacer_50">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="HKL_Tran_Row_3_lbl">
<property name="text">
- <string>Triclinic</string>
+ <string>HKL Transformation, Row 3</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <spacer name="horizontalSpacer_47">
+ <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>
+ <widget class="QLineEdit" name="HKL_tran_row_3_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Third row of the<br> transformation matrix to apply the HKL indexes.</string>
</property>
- </item>
- </widget>
- </item>
- <item>
- <widget class="QComboBox" name="CellCentering_cmbx">
- <property name="toolTip">
- <string>The centering to be used.</string>
- </property>
- <item>
<property name="text">
- <string>C</string>
+ <string>0, 0, 1</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer_5">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_42">
+ <item>
+ <spacer name="horizontalSpacer_44">
+ <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>
+ <widget class="QPushButton" name="ApplyChangeHKL_btn">
+ <property name="toolTip">
+ <string>Use the specified matrix<br> to update the peak indexes and UB matrix.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>F</string>
+ <string>Apply</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
+ </widget>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="Integrate">
+ <attribute name="title">
+ <string>Integrate</string>
+ </attribute>
+ <layout class="QVBoxLayout" name="verticalLayout_18">
+ <item>
+ <widget class="QScrollArea" name="scrollArea_5">
+ <property name="frameShape">
+ <enum>QFrame::NoFrame</enum>
+ </property>
+ <property name="frameShadow">
+ <enum>QFrame::Plain</enum>
+ </property>
+ <property name="widgetResizable">
+ <bool>true</bool>
+ </property>
+ <widget class="QWidget" name="scrollAreaWidgetContents_7">
+ <property name="geometry">
+ <rect>
+ <x>0</x>
+ <y>0</y>
+ <width>903</width>
+ <height>696</height>
+ </rect>
+ </property>
+ <layout class="QVBoxLayout" name="verticalLayout_17">
+ <item>
+ <widget class="QRadioButton" name="SphereIntegration_rbtn">
+ <property name="toolTip">
+ <string>Apply the IntegratePeaksMD<br> algorithm to integrate the current list of peaks, using spherical regions around the peaks in reciprocal space. This is the fastest of the integration methods. See the algorithm documentation for more details.</string>
+ </property>
+ <property name="text">
+ <string>Spherical or Cylindrical Integration</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_55">
+ <item>
+ <spacer name="horizontalSpacer_63">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="PeakRadius_lbl">
<property name="text">
- <string>I</string>
+ <string>Peak Radius (A^-1)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="PeakRadius_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Radius of the spherical<br> region that will be considered the body of the peak.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>P</string>
+ <string>0.20</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_54">
+ <item>
+ <spacer name="horizontalSpacer_62">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="BackgroundInnerRadius_lbl">
<property name="text">
- <string>R</string>
+ <string>Background Inner Radius (A^-1)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="BackgroundInnerRadius_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Radius of the inner surface<br> of the spherical shell that will be used for the background estimate.</string>
</property>
- </item>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_42">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="SelectCellWithForm_rbtn">
- <property name="toolTip">
- <string>Transform the current UB<br> matrix and indexing to correspond to the cell with the specified Form number, as shown in the list of possible cells.</string>
- </property>
- <property name="text">
- <string>Select Cell With Form</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_34">
- <item>
- <spacer name="horizontalSpacer_40">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QComboBox" name="CellFormNumber_cmbx">
- <property name="toolTip">
- <string>The Form number of the<br> desired conventional cell.</string>
- </property>
- <item>
<property name="text">
- <string>1</string>
+ <string>0.20</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_53">
+ <item>
+ <spacer name="horizontalSpacer_61">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="BackgroundOuterRadius_lbl">
<property name="text">
- <string>2</string>
+ <string>Background Outer Radius (A^-1)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="BackgroundOuterRadius_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Radius of the outer surface<br> of the spherical shell that will be used for the background estimate.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>3</string>
+ <string>0.25</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_52">
+ <item>
+ <spacer name="horizontalSpacer_55">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="IntegrateEdge_ckbx">
+ <property name="toolTip">
+ <string>If true, all peaks will be<br> integrated. If false, any peak for which the background shell goes off the edge of the detector will not be integrated.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>4</string>
+ <string>Integrate if on Edge</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="Cylinder_ckbx">
+ <property name="toolTip">
+ <string>If true, cylinder instead of sphere..</string>
</property>
- </item>
- <item>
<property name="text">
- <string>5</string>
+ <string>Integrate with cylinder</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ <item>
+ <widget class="QComboBox" name="CylinderProfileFit_cmbx">
+ <property name="toolTip">
+ <string>Fit cylinder profile with function</string>
+ </property>
+ <item>
+ <property name="text">
+ <string>BackToBackExponential</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Bk2BKExpConvPV</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>DeltaFunction</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>ElasticDiffSphere</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>ExamplePeakFunction</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Gaussian</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>IkedaCarpenterPV</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Lorentzian</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>NoFit</string>
+ </property>
+ </item>
+ <item>
+ <property name="text">
+ <string>Voigt</string>
+ </property>
+ </item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_53a">
+ <item>
+ <spacer name="horizontalSpacer_61a">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="CylinderLength_lbl">
<property name="text">
- <string>6</string>
+ <string>Cylinder Length (A^-1)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="CylinderLength_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Length of the cylinder used for integration.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>7</string>
+ <string>0.4</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_53b">
+ <item>
+ <spacer name="horizontalSpacer_61b">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="CylinderPercentBkg_lbl">
<property name="text">
- <string>8</string>
+ <string>Percent of cylinder length that is background.</string>
</property>
- </item>
- <item>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="CylinderPercentBkg_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Radius of the outer surface<br> of the spherical shell that will be used for the background estimate.</string>
+ </property>
+ <property name="text">
+ <string>0.25</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="TwoDFitIntegration_rbtn">
+ <property name="toolTip">
+ <string>Apply the PeakIntegration<br> algorithm to integrate the current list of peaks, by combining the integrated intensities on multiple time-of-flight slices. This method is much slower than the Spherical Integration method, so please allow time for the calculation to complete. See the algorithm documentation for more details.</string>
+ </property>
+ <property name="text">
+ <string>2-D Fitting Integration</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_51">
+ <item>
+ <spacer name="horizontalSpacer_60">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="FitRebinParams_lbl">
<property name="text">
- <string>9</string>
+ <string>Rebin Parameters</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="FitRebinParams_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>Parameters used to form<br> histograms from the event data. The first and last values are the start and end times-of-flight. The middle value is the step size. If the step size is negative it represents the decimal fraction increase in the bin boundary at each step, instead of the actual bin size.</string>
+ </property>
+ <property name="text">
+ <string>1000,-0.004,16000</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_50">
+ <item>
+ <spacer name="horizontalSpacer_59">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="NBadEdgePixels_lbl">
+ <property name="text">
+ <string>Number of Bad Edge Pixels</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="NBadEdgePixels_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
+ </property>
+ <property name="toolTip">
+ <string>The width of the border of<br> bad pixels around the edge of each detector that should be omitted.</string>
+ </property>
+ <property name="text">
+ <string>5</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_49">
+ <item>
+ <spacer name="horizontalSpacer_54">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
+ </property>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="IkedaCarpenter_ckbx">
+ <property name="toolTip">
+ <string>If true, the Ikeda-Carpenter<br> function will be used to fit the results of integrating the various time-of-flight slices, to obtain the final integrated result.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>10</string>
+ <string>Ikeda-Carpenter TOF</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>11</string>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <widget class="QRadioButton" name="EllipsoidIntegration_rbtn">
+ <property name="toolTip">
+ <string>Apply the IntegrateEllipsoids<br> algorithm to integrate the current list of peaks, by finding the principal axes of the 3D events in regions around each peak. This method is a little slower than the Spherical Integration method. See the algorithm documentation for more details.</string>
+ </property>
+ <property name="text">
+ <string>Ellipsoidal Integration (Integer HKL only)</string>
+ </property>
+ </widget>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_48">
+ <item>
+ <spacer name="horizontalSpacer_58">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>12</string>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>13</string>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
</property>
- </item>
- <item>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="RegionRadius_lbl">
<property name="text">
- <string>14</string>
+ <string>Region Radius (A^-1)</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>15</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="RegionRadius_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
</property>
- </item>
- <item>
- <property name="text">
- <string>16</string>
+ <property name="toolTip">
+ <string>Radius of a spherical region<br> around each peak that will be used when finding the principal axes. This should be large enough to include the entire peak and nearby background region, but not much larger.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>17</string>
+ <string>0.25</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>18</string>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_47">
+ <item>
+ <spacer name="horizontalSpacer_52">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>19</string>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>20</string>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>15</width>
+ <height>0</height>
+ </size>
</property>
- </item>
- <item>
- <property name="text">
- <string>21</string>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QCheckBox" name="SpecifySize_ckbx">
+ <property name="toolTip">
+ <string>If this is set true, the major axis<br> size of each ellipsoidal region will be constant for all peaks, and will be set by the following three parameters. If this is set false, the major axis sizes will be calculated based on the standard deviation in the direction of the major axis.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>22</string>
+ <string>Specify Size</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>23</string>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_46">
+ <item>
+ <spacer name="horizontalSpacer_57">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>24</string>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>25</string>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>0</height>
+ </size>
</property>
- </item>
- <item>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="PeakSize_lbl">
<property name="text">
- <string>26</string>
+ <string>Peak Size (A^-1)</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>27</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="PeakSize_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
</property>
- </item>
- <item>
- <property name="text">
- <string>28</string>
+ <property name="toolTip">
+ <string>Length of the major axis<br> to use for the ellipsoidal peak region.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>29</string>
+ <string>0.20</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>30</string>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_45">
+ <item>
+ <spacer name="horizontalSpacer_56">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>31</string>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>32</string>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>0</height>
+ </size>
</property>
- </item>
- <item>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="BackgroundInnerSize_lbl">
<property name="text">
- <string>33</string>
+ <string>Background Inner Size (A^-1)</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>34</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="BackgroundInnerSize_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
</property>
- </item>
- <item>
- <property name="text">
- <string>35</string>
+ <property name="toolTip">
+ <string>Length of the major axis<br> of the inner surface of the ellipsoidal shell used for the background region.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>36</string>
+ <string>0.20</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>37</string>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_44">
+ <item>
+ <spacer name="horizontalSpacer_53">
+ <property name="orientation">
+ <enum>Qt::Horizontal</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>38</string>
+ <property name="sizeType">
+ <enum>QSizePolicy::Fixed</enum>
</property>
- </item>
- <item>
- <property name="text">
- <string>39</string>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>40</width>
+ <height>0</height>
+ </size>
</property>
- </item>
- <item>
+ </spacer>
+ </item>
+ <item>
+ <widget class="QLabel" name="BackgroundOuterSize_lbl">
<property name="text">
- <string>40</string>
+ <string>Background Outer Size (A^-1) </string>
</property>
- </item>
- <item>
- <property name="text">
- <string>41</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="BackgroundOuterSize_ledt">
+ <property name="sizePolicy">
+ <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
+ <horstretch>0</horstretch>
+ <verstretch>0</verstretch>
+ </sizepolicy>
</property>
- </item>
- <item>
- <property name="text">
- <string>42</string>
+ <property name="toolTip">
+ <string>Length of the major axis<br> of the outer surface of the ellipsoidal shell used for the background region.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>43</string>
+ <string>0.25</string>
+ </property>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ <item>
+ <spacer name="verticalSpacer_6">
+ <property name="orientation">
+ <enum>Qt::Vertical</enum>
+ </property>
+ <property name="sizeHint" stdset="0">
+ <size>
+ <width>20</width>
+ <height>40</height>
+ </size>
+ </property>
+ </spacer>
+ </item>
+ <item>
+ <layout class="QHBoxLayout" name="horizontalLayout_43">
+ <item>
+ <spacer name="horizontalSpacer_51">
+ <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>
+ <widget class="QPushButton" name="ApplyIntegrate_btn">
+ <property name="toolTip">
+ <string>Proceed to actually do the peak integration as specified.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>44</string>
+ <string>Apply</string>
</property>
- </item>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_43">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>20</height>
- </size>
- </property>
- </spacer>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="verticalSpacer_4">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>20</width>
- <height>40</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_32">
- <item>
- <spacer name="horizontalSpacer_36">
- <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>
- <widget class="QPushButton" name="ApplyChooseCell_btn">
- <property name="toolTip">
- <string>Proceed to show the<br> possible cells, or change the UB matrix and indexing, according to the options selected.</string>
- </property>
- <property name="text">
- <string>Apply</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- </layout>
+ </widget>
+ </item>
+ </layout>
+ </item>
+ </layout>
+ </widget>
</widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="ChangeHKL">
- <attribute name="title">
- <string>Change HKL</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_15">
- <item>
- <widget class="QScrollArea" name="scrollArea_4">
- <property name="frameShape">
- <enum>QFrame::NoFrame</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Plain</enum>
- </property>
- <property name="widgetResizable">
- <bool>true</bool>
- </property>
- <widget class="QWidget" name="scrollAreaWidgetContents_6">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>903</width>
- <height>708</height>
- </rect>
+ </item>
+ </layout>
+ </widget>
+ <widget class="QWidget" name="PointInfo_tab">
+ <attribute name="title">
+ <string>Point Info</string>
+ </attribute>
+ <layout class="QGridLayout" name="gridLayout_3">
+ <item row="0" column="0">
+ <widget class="QGroupBox" name="SelectedPoint_grpbx">
+ <property name="title">
+ <string>Selected Point Info</string>
</property>
- <layout class="QVBoxLayout" name="verticalLayout_16">
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_37">
- <item>
- <widget class="QLabel" name="HKL_Transfrom_lbl">
- <property name="toolTip">
- <string>Transform the UB matrix<br> and peak indexes using the specified 3X3 matrix.</string>
- </property>
- <property name="text">
- <string>Specify 3x3 Matrix to Apply to HKL</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_38">
- <item>
- <spacer name="horizontalSpacer_48">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="HKL_Tran_Row_1_lbl">
- <property name="text">
- <string>HKL Transformation, Row 1</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_45">
- <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>
- <widget class="QLineEdit" name="HKL_tran_row_1_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>First row of the<br> transformation matrix to apply the HKL indexes.</string>
- </property>
- <property name="text">
- <string>1, 0, 0</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_39">
- <item>
- <spacer name="horizontalSpacer_49">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="HKL_Tran_Row_2_lbl">
- <property name="text">
- <string>HKL Transformation, Row 2</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_46">
- <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>
- <widget class="QLineEdit" name="HKL_tran_row_2_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Second row of the<br> transformation matrix to apply the HKL indexes.</string>
- </property>
- <property name="text">
- <string>0, 1, 0</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_40">
- <item>
- <spacer name="horizontalSpacer_50">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="HKL_Tran_Row_3_lbl">
- <property name="text">
- <string>HKL Transformation, Row 3</string>
- </property>
- </widget>
- </item>
- <item>
- <spacer name="horizontalSpacer_47">
- <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>
- <widget class="QLineEdit" name="HKL_tran_row_3_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Third row of the<br> transformation matrix to apply the HKL indexes.</string>
- </property>
- <property name="text">
- <string>0, 0, 1</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="verticalSpacer_5">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>20</width>
- <height>40</height>
- </size>
- </property>
- </spacer>
- </item>
+ <layout class="QVBoxLayout" name="verticalLayout_2">
<item>
- <layout class="QHBoxLayout" name="horizontalLayout_42">
- <item>
- <spacer name="horizontalSpacer_44">
- <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>
- <widget class="QPushButton" name="ApplyChangeHKL_btn">
- <property name="toolTip">
- <string>Use the specified matrix<br> to update the peak indexes and UB matrix.</string>
- </property>
- <property name="text">
- <string>Apply</string>
- </property>
- </widget>
- </item>
- </layout>
+ <widget class="QTableWidget" name="SelectedPoint_tbl"/>
</item>
- </layout>
- </widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="Integrate">
- <attribute name="title">
- <string>Integrate</string>
- </attribute>
- <layout class="QVBoxLayout" name="verticalLayout_18">
- <item>
- <widget class="QScrollArea" name="scrollArea_5">
- <property name="frameShape">
- <enum>QFrame::NoFrame</enum>
- </property>
- <property name="frameShadow">
- <enum>QFrame::Plain</enum>
- </property>
- <property name="widgetResizable">
- <bool>true</bool>
- </property>
- <widget class="QWidget" name="scrollAreaWidgetContents_7">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>903</width>
- <height>708</height>
- </rect>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_17">
<item>
- <widget class="QRadioButton" name="SphereIntegration_rbtn">
- <property name="toolTip">
- <string>Apply the IntegratePeaksMD<br> algorithm to integrate the current list of peaks, using spherical regions around the peaks in reciprocal space. This is the fastest of the integration methods. See the algorithm documentation for more details.</string>
- </property>
- <property name="text">
- <string>Spherical or Cylindrical Integration</string>
+ <widget class="QGroupBox" name="groupBox">
+ <property name="title">
+ <string>Specify Qx Qy Qz</string>
</property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_55">
- <item>
- <spacer name="horizontalSpacer_63">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="PeakRadius_lbl">
- <property name="text">
- <string>Peak Radius (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="PeakRadius_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Radius of the spherical<br> region that will be considered the body of the peak.</string>
- </property>
- <property name="text">
- <string>0.20</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_54">
- <item>
- <spacer name="horizontalSpacer_62">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="BackgroundInnerRadius_lbl">
- <property name="text">
- <string>Background Inner Radius (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="BackgroundInnerRadius_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Radius of the inner surface<br> of the spherical shell that will be used for the background estimate.</string>
- </property>
- <property name="text">
- <string>0.20</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_53">
- <item>
- <spacer name="horizontalSpacer_61">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="BackgroundOuterRadius_lbl">
- <property name="text">
- <string>Background Outer Radius (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="BackgroundOuterRadius_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Radius of the outer surface<br> of the spherical shell that will be used for the background estimate.</string>
- </property>
- <property name="text">
- <string>0.25</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_52">
- <item>
- <spacer name="horizontalSpacer_55">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="IntegrateEdge_ckbx">
- <property name="toolTip">
- <string>If true, all peaks will be<br> integrated. If false, any peak for which the background shell goes off the edge of the detector will not be integrated.</string>
- </property>
- <property name="text">
- <string>Integrate if on Edge</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QCheckBox" name="Cylinder_ckbx">
- <property name="toolTip">
- <string>If true, cylinder instead of sphere..</string>
- </property>
- <property name="text">
- <string>Integrate with cylinder</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QComboBox" name="CylinderProfileFit_cmbx">
- <property name="toolTip">
- <string>Fit cylinder profile with function</string>
- </property>
- <item>
- <property name="text">
- <string>BackToBackExponential</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>Bk2BKExpConvPV</string>
- </property>
- </item>
- <item>
- <property name="text">
- <string>DeltaFunction</string>
+ <layout class="QHBoxLayout" name="horizontalLayout">
+ <item>
+ <widget class="QLineEdit" name="Qx_ledt">
+ <property name="toolTip">
+ <string>The X-coordinate of a point<br> of interest in reciprocal space specified in lab coordinates.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>ElasticDiffSphere</string>
+ <string>0.0</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>ExamplePeakFunction</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="Qy_ledt">
+ <property name="toolTip">
+ <string>The Y-coordinate of a point<br> of interest in reciprocal space specified in lab coordinates.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>Gaussian</string>
+ <string>0.0</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>IkedaCarpenterPV</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QLineEdit" name="Qz_ledt">
+ <property name="toolTip">
+ <string>The Z-coordinate of a point<br> of interest in reciprocal space specified in lab coordinates.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>Lorentzian</string>
+ <string>0.0</string>
</property>
- </item>
- <item>
- <property name="text">
- <string>NoFit</string>
+ </widget>
+ </item>
+ <item>
+ <widget class="QPushButton" name="ShowInfo_btn">
+ <property name="toolTip">
+ <string>Press this after entering<br> Qx,Qy,Qz in lab coordinates to display information about that point in the Selected Point Info table.</string>
</property>
- </item>
- <item>
<property name="text">
- <string>Voigt</string>
+ <string>Show Info</string>
</property>
- </item>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_53a">
- <item>
- <spacer name="horizontalSpacer_61a">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="CylinderLength_lbl">
- <property name="text">
- <string>Cylinder Length (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="CylinderLength_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Length of the cylinder used for integration.</string>
- </property>
- <property name="text">
- <string>0.4</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_53b">
- <item>
- <spacer name="horizontalSpacer_61b">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="CylinderPercentBkg_lbl">
- <property name="text">
- <string>Percent of cylinder length that is background.</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="CylinderPercentBkg_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Radius of the outer surface<br> of the spherical shell that will be used for the background estimate.</string>
- </property>
- <property name="text">
- <string>0.25</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="TwoDFitIntegration_rbtn">
- <property name="toolTip">
- <string>Apply the PeakIntegration<br> algorithm to integrate the current list of peaks, by combining the integrated intensities on multiple time-of-flight slices. This method is much slower than the Spherical Integration method, so please allow time for the calculation to complete. See the algorithm documentation for more details.</string>
- </property>
- <property name="text">
- <string>2-D Fitting Integration</string>
- </property>
- </widget>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_51">
- <item>
- <spacer name="horizontalSpacer_60">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="FitRebinParams_lbl">
- <property name="text">
- <string>Rebin Parameters</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="FitRebinParams_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Parameters used to form<br> histograms from the event data. The first and last values are the start and end times-of-flight. The middle value is the step size. If the step size is negative it represents the decimal fraction increase in the bin boundary at each step, instead of the actual bin size.</string>
- </property>
- <property name="text">
- <string>1000,-0.004,16000</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_50">
- <item>
- <spacer name="horizontalSpacer_59">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="NBadEdgePixels_lbl">
- <property name="text">
- <string>Number of Bad Edge Pixels</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="NBadEdgePixels_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>The width of the border of<br> bad pixels around the edge of each detector that should be omitted.</string>
- </property>
- <property name="text">
- <string>5</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_49">
- <item>
- <spacer name="horizontalSpacer_54">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="IkedaCarpenter_ckbx">
- <property name="toolTip">
- <string>If true, the Ikeda-Carpenter<br> function will be used to fit the results of integrating the various time-of-flight slices, to obtain the final integrated result.</string>
- </property>
- <property name="text">
- <string>Ikeda-Carpenter TOF</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <widget class="QRadioButton" name="EllipsoidIntegration_rbtn">
- <property name="toolTip">
- <string>Apply the IntegrateEllipsoids<br> algorithm to integrate the current list of peaks, by finding the principal axes of the 3D events in regions around each peak. This method is a little slower than the Spherical Integration method. See the algorithm documentation for more details.</string>
- </property>
- <property name="text">
- <string>Ellipsoidal Integration (Integer HKL only)</string>
- </property>
+ </widget>
+ </item>
+ </layout>
</widget>
</item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_48">
- <item>
- <spacer name="horizontalSpacer_58">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="RegionRadius_lbl">
- <property name="text">
- <string>Region Radius (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="RegionRadius_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Radius of a spherical region<br> around each peak that will be used when finding the principal axes. This should be large enough to include the entire peak and nearby background region, but not much larger.</string>
- </property>
- <property name="text">
- <string>0.25</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_47">
- <item>
- <spacer name="horizontalSpacer_52">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>15</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QCheckBox" name="SpecifySize_ckbx">
- <property name="toolTip">
- <string>If this is set true, the major axis<br> size of each ellipsoidal region will be constant for all peaks, and will be set by the following three parameters. If this is set false, the major axis sizes will be calculated based on the standard deviation in the direction of the major axis.</string>
- </property>
- <property name="text">
- <string>Specify Size</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_46">
- <item>
- <spacer name="horizontalSpacer_57">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="PeakSize_lbl">
- <property name="text">
- <string>Peak Size (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="PeakSize_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Length of the major axis<br> to use for the ellipsoidal peak region.</string>
- </property>
- <property name="text">
- <string>0.20</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_45">
- <item>
- <spacer name="horizontalSpacer_56">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="BackgroundInnerSize_lbl">
- <property name="text">
- <string>Background Inner Size (A^-1)</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="BackgroundInnerSize_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Length of the major axis<br> of the inner surface of the ellipsoidal shell used for the background region.</string>
- </property>
- <property name="text">
- <string>0.20</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_44">
- <item>
- <spacer name="horizontalSpacer_53">
- <property name="orientation">
- <enum>Qt::Horizontal</enum>
- </property>
- <property name="sizeType">
- <enum>QSizePolicy::Fixed</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>40</width>
- <height>0</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <widget class="QLabel" name="BackgroundOuterSize_lbl">
- <property name="text">
- <string>Background Outer Size (A^-1) </string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="BackgroundOuterSize_ledt">
- <property name="sizePolicy">
- <sizepolicy hsizetype="Fixed" vsizetype="Fixed">
- <horstretch>0</horstretch>
- <verstretch>0</verstretch>
- </sizepolicy>
- </property>
- <property name="toolTip">
- <string>Length of the major axis<br> of the outer surface of the ellipsoidal shell used for the background region.</string>
- </property>
- <property name="text">
- <string>0.25</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
- <item>
- <spacer name="verticalSpacer_6">
- <property name="orientation">
- <enum>Qt::Vertical</enum>
- </property>
- <property name="sizeHint" stdset="0">
- <size>
- <width>20</width>
- <height>40</height>
- </size>
- </property>
- </spacer>
- </item>
- <item>
- <layout class="QHBoxLayout" name="horizontalLayout_43">
- <item>
- <spacer name="horizontalSpacer_51">
- <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>
- <widget class="QPushButton" name="ApplyIntegrate_btn">
- <property name="toolTip">
- <string>Proceed to actually do the peak integration as specified.</string>
- </property>
- <property name="text">
- <string>Apply</string>
- </property>
- </widget>
- </item>
- </layout>
- </item>
</layout>
</widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QWidget" name="PointInfo_tab">
- <attribute name="title">
- <string>Point Info</string>
- </attribute>
- <layout class="QGridLayout" name="gridLayout_3">
- <item row="0" column="0">
- <widget class="QGroupBox" name="SelectedPoint_grpbx">
- <property name="title">
- <string>Selected Point Info</string>
- </property>
- <layout class="QVBoxLayout" name="verticalLayout_2">
- <item>
- <widget class="QTableWidget" name="SelectedPoint_tbl"/>
- </item>
- <item>
- <widget class="QGroupBox" name="groupBox">
- <property name="title">
- <string>Specify Qx Qy Qz</string>
- </property>
- <layout class="QHBoxLayout" name="horizontalLayout">
- <item>
- <widget class="QLineEdit" name="Qx_ledt">
- <property name="toolTip">
- <string>The X-coordinate of a point<br> of interest in reciprocal space specified in lab coordinates.</string>
- </property>
- <property name="text">
- <string>0.0</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="Qy_ledt">
- <property name="toolTip">
- <string>The Y-coordinate of a point<br> of interest in reciprocal space specified in lab coordinates.</string>
- </property>
- <property name="text">
- <string>0.0</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QLineEdit" name="Qz_ledt">
- <property name="toolTip">
- <string>The Z-coordinate of a point<br> of interest in reciprocal space specified in lab coordinates.</string>
- </property>
- <property name="text">
- <string>0.0</string>
- </property>
- </widget>
- </item>
- <item>
- <widget class="QPushButton" name="ShowInfo_btn">
- <property name="toolTip">
- <string>Press this after entering<br> Qx,Qy,Qz in lab coordinates to display information about that point in the Selected Point Info table.</string>
- </property>
- <property name="text">
- <string>Show Info</string>
- </property>
- </widget>
- </item>
- </layout>
- </widget>
- </item>
- </layout>
- </widget>
- </item>
- </layout>
+ </item>
+ </layout>
+ </widget>
</widget>
- </widget>
- </item>
- </layout>
- </widget>
- <widget class="QStatusBar" name="statusbar">
- <property name="geometry">
- <rect>
- <x>0</x>
- <y>0</y>
- <width>3</width>
- <height>27</height>
- </rect>
- </property>
+ </item>
+ </layout>
</widget>
+ <widget class="QStatusBar" name="statusbar"/>
<action name="actionSave_State">
<property name="text">
<string>Save Settings</string>
@@ -3529,6 +3522,16 @@
<string>Online Help Page</string>
</property>
</action>
+ <action name="actionSave_Nexus_Peaks">
+ <property name="text">
+ <string>Save Nexus Peaks</string>
+ </property>
+ </action>
+ <action name="actionLoad_Nexus_Peaks">
+ <property name="text">
+ <string>Load Nexus Peaks</string>
+ </property>
+ </action>
</widget>
<resources/>
<connections/>
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEVWorker.h b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEVWorker.h
index af3a2a596b9f7a586c39a05f0975e6e6e2f02ab6..5f92a905fa2eb2ad2d050a7bdb9ae23c4fc470f6 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEVWorker.h
+++ b/Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEVWorker.h
@@ -95,11 +95,19 @@ public:
bool loadIsawPeaks( const std::string & peaks_ws_name,
const std::string & file_name );
+ bool loadNexusPeaks( const std::string & peaks_ws_name,
+ const std::string & file_name );
+
/// Save the peaks workspace to a .peaks or .integrate file
bool saveIsawPeaks( const std::string & peaks_ws_name,
const std::string & file_name,
bool append );
+ /// Save the peaks workspace to a .nxs file
+ bool saveNexusPeaks( const std::string & peaks_ws_name,
+ const std::string & file_name,
+ bool append );
+
/// Index the peaks using the FFT method
bool findUBUsingFFT( const std::string & peaks_ws_name,
double min_abc,
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEV.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEV.cpp
index 39964eda49a65ef0b605494dd47e165886e1ce11..5ac92097495116849472d24de678d91822f465b9 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEV.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEV.cpp
@@ -4,6 +4,7 @@
#include <QSettings>
#include <QDesktopServices>
#include <QDesktopWidget>
+#include <Poco/Path.h>
#include "MantidQtCustomInterfaces/MantidEV.h"
#include "MantidAPI/AlgorithmManager.h"
@@ -319,6 +320,12 @@ void MantidEV::initLayout()
QObject::connect( m_uiForm.actionLoad_Isaw_Peaks, SIGNAL(triggered()),
this, SLOT(loadIsawPeaks_slot()) );
+ QObject::connect( m_uiForm.actionSave_Nexus_Peaks, SIGNAL(triggered()),
+ this, SLOT(saveNexusPeaks_slot()) );
+
+ QObject::connect( m_uiForm.actionLoad_Nexus_Peaks, SIGNAL(triggered()),
+ this, SLOT(loadNexusPeaks_slot()) );
+
QObject::connect( m_uiForm.actionShow_UB, SIGNAL(triggered()),
this, SLOT(showUB_slot()) );
@@ -765,15 +772,22 @@ void MantidEV::findPeaks_slot()
else if ( load_peaks )
{
std::string file_name = m_uiForm.SelectPeaksFile_ledt->text().trimmed().toStdString();
+ std::string extension = Poco::Path(file_name).getExtension();
if ( file_name.length() == 0 )
{
errorMessage("Specify a peaks file with the peaks to be loaded.");
return;
}
-
- if ( !worker->loadIsawPeaks( peaks_ws_name, file_name ) )
- {
- errorMessage("Could not load requested peaks file");
+ if (extension.compare("nxs") == 0 || extension.compare("h5") == 0){
+ if ( !worker->loadNexusPeaks( peaks_ws_name, file_name ) ){
+ errorMessage("Could not load requested peaks file");
+ }
+ }
+ else {
+ if ( !worker->loadIsawPeaks( peaks_ws_name, file_name ) )
+ {
+ errorMessage("Could not load requested NeXus file");
+ }
}
}
}
@@ -788,7 +802,7 @@ void MantidEV::getLoadPeaksFileName_slot()
QString Qfile_name = QFileDialog::getOpenFileName( this,
tr("Load peaks file"),
file_path,
- tr("Peaks Files (*.peaks *.integrate);; All files(*.*)"));
+ tr("Peaks Files (*.peaks *.integrate *.nxs *.h5);; All files(*.*)"));
if ( Qfile_name.length()> 0 )
{
@@ -808,7 +822,7 @@ void MantidEV::getSavePeaksFileName()
QString Qfile_name = QFileDialog::getSaveFileName( this,
tr("Save peaks file"),
file_path,
- tr("Peaks Files (*.peaks *.integrate);; All files(*.*) "),
+ tr("Peaks Files (*.peaks *.integrate *.nxs *.h5);; All files(*.*)"),
0, QFileDialog::DontConfirmOverwrite );
if ( Qfile_name.length() > 0 )
@@ -1495,6 +1509,67 @@ void MantidEV::saveIsawPeaks_slot()
}
}
+/**
+ * Slot called when the Save Nexus Peaks action is selected from the File menu.
+ */
+void MantidEV::saveNexusPeaks_slot()
+{
+ std::string peaks_ws_name = m_uiForm.PeaksWorkspace_ledt->text().trimmed().toStdString();
+ if ( peaks_ws_name.length() == 0 )
+ {
+ errorMessage("Specify a peaks workspace name on the Find Peaks tab.");
+ return;
+ }
+
+ getSavePeaksFileName();
+
+ std::string file_name = m_uiForm.SelectPeaksFile_ledt->text().trimmed().toStdString();
+ if ( file_name.length() == 0 )
+ {
+ errorMessage("Specify a peaks file name for saving the peaks workspace.");
+ return;
+ }
+ else
+ {
+ // if the file exists, check for overwrite or append
+ bool append = false;
+ QFile peaks_file( QString::fromStdString( file_name ) );
+ if ( peaks_file.exists() )
+ {
+ QMessageBox message_box( this->window() );
+ message_box.setText( tr("File Exists") );
+ message_box.setInformativeText("Replace file, or append peaks to file?");
+ QAbstractButton *replace_btn = message_box.addButton( tr("Replace"), QMessageBox::NoRole );
+ QAbstractButton *append_btn = message_box.addButton( tr("Append"), QMessageBox::YesRole );
+ message_box.setIcon( QMessageBox::Question );
+ // it should not be necessary to do the next
+ // four lines, but without them the message box
+ // appears at random locations on RHEL 6
+ message_box.show();
+ QSize box_size = message_box.sizeHint();
+ QRect screen_rect = QDesktopWidget().screen()->rect();
+ message_box.move( QPoint( screen_rect.width()/2 - box_size.width()/2,
+ screen_rect.height()/2 - box_size.height()/2 ) );
+ message_box.exec();
+
+ if ( message_box.clickedButton() == append_btn )
+ {
+ append = true;
+ }
+ else if ( message_box.clickedButton() == replace_btn ) // no strictly needed, but clearer
+ {
+ append = false;
+ }
+ }
+
+ if ( !worker->saveNexusPeaks( peaks_ws_name, file_name, append ) )
+ {
+ errorMessage( "Failed to save peaks to file" );
+ return;
+ }
+ }
+}
+
/**
* Slot called when the Load Isaw Peaks action is selected from the File menu.
@@ -1526,6 +1601,36 @@ void MantidEV::loadIsawPeaks_slot()
}
}
+/**
+ * Slot called when the Load Nexus Peaks action is selected from the File menu.
+ */
+void MantidEV::loadNexusPeaks_slot()
+{
+ std::string peaks_ws_name = m_uiForm.PeaksWorkspace_ledt->text().trimmed().toStdString();
+ if ( peaks_ws_name.length() == 0 )
+ {
+ errorMessage("Specify a peaks workspace name on the Find Peaks tab.");
+ return;
+ }
+
+ getLoadPeaksFileName_slot();
+
+ std::string file_name = m_uiForm.SelectPeaksFile_ledt->text().trimmed().toStdString();
+ if ( file_name.length() == 0 )
+ {
+ errorMessage("Select a peaks file to be loaded.");
+ return;
+ }
+ else
+ {
+ if ( !worker->loadNexusPeaks( peaks_ws_name, file_name ) )
+ {
+ errorMessage( "Failed to Load Peaks File" );
+ return;
+ }
+ }
+}
+
/**
* Slot called when the Show UB action is selected from the View menu.
diff --git a/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp b/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp
index 0cba832b97f19448f1f25cf4cb021a12722ce7c8..6200f7641430ba30e3eef5835c6b14bfe9f1e36e 100644
--- a/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp
+++ b/Code/Mantid/MantidQt/CustomInterfaces/src/MantidEVWorker.cpp
@@ -397,9 +397,31 @@ bool MantidEVWorker::loadIsawPeaks( const std::string & peaks_ws_name,
return false;
}
+/**
+ * Load the specified peaks workspace from the specified NeXus file.
+ *
+ * @param peaks_ws_name The name of the peaks workspace to load/create.
+ * @param file_name The name of the NeXus file to load.
+ *
+ * @return true if LoadNexusPeaks completed successfully.
+ */
+bool MantidEVWorker::loadNexusPeaks( const std::string & peaks_ws_name,
+ const std::string & file_name )
+{
+
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("Load");
+ alg->setProperty("Filename",file_name );
+
+ alg->setProperty("OutputWorkspace", peaks_ws_name );
+
+ if ( alg->execute() )
+ return true;
+
+ return false;
+}
/**
- * Load the specified peaks workspace to the specified peaks file.
+ * Save the specified peaks workspace to the specified peaks file.
*
* @param peaks_ws_name The name of the peaks workspace to save.
* @param file_name The name of the peaks file to write to.
@@ -425,6 +447,43 @@ bool MantidEVWorker::saveIsawPeaks( const std::string & peaks_ws_name,
return false;
}
+/**
+ * Save the specified peaks workspace to the specified peaks file.
+ *
+ * @param peaks_ws_name The name of the peaks workspace to save.
+ * @param file_name The name of the NeXus file to write to.
+ *
+ * @return true if SaveNexusPeaks completed successfully.
+ */
+bool MantidEVWorker::saveNexusPeaks( const std::string & peaks_ws_name,
+ const std::string & file_name,
+ bool append )
+{
+ if (append){
+ std::string temp_peaks_ws_name = "__MantidEVWorker_peaks_ws";
+ IAlgorithm_sptr load = AlgorithmManager::Instance().create("Load");
+ load->setProperty("OutputWorkspace", temp_peaks_ws_name );
+ load->setProperty("Filename",file_name );
+
+ load->execute();
+
+ IAlgorithm_sptr combine = AlgorithmManager::Instance().create("CombinePeaksWorkspaces");
+ combine->setProperty("LHSWorkspace", temp_peaks_ws_name );
+ combine->setProperty("RHSWorkspace", peaks_ws_name );
+ combine->setProperty("OutputWorkspace", peaks_ws_name );
+
+ combine->execute();
+ }
+ IAlgorithm_sptr alg = AlgorithmManager::Instance().create("SaveNexus");
+ alg->setProperty("InputWorkspace", peaks_ws_name );
+ alg->setProperty("Filename",file_name );
+
+ if ( alg->execute() )
+ return true;
+
+ return false;
+}
+
/**
* Find an optimized UB matrix that indexes the peaks in the specified
diff --git a/Code/Mantid/scripts/SCD_Reduction/ReduceSCD.config b/Code/Mantid/scripts/SCD_Reduction/ReduceSCD.config
index 67b5014828afe4eb8502b3a4816760b39390420c..324b3883589caf24d49f3ea2b12b0f784a38cdd6 100644
--- a/Code/Mantid/scripts/SCD_Reduction/ReduceSCD.config
+++ b/Code/Mantid/scripts/SCD_Reduction/ReduceSCD.config
@@ -43,6 +43,8 @@ calibration_file_2 None
#
data_directory None
output_directory /SNS/TOPAZ/IPTS-9890/shared/SPAnH
+# Change to true for data with lots of peaks. Use False for ISAW ASCII output
+output_nexus False
#
# If use_monitor_counts is True, then the integrated beam monitor
diff --git a/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_OneRun.py b/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_OneRun.py
index da992481ba3ac2c36cd0634d9073a5a3f2989c71..8ae81127207be15b6d7bff3d4f079f5d9f55bd07 100644
--- a/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_OneRun.py
+++ b/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_OneRun.py
@@ -72,6 +72,7 @@ calibration_file_1 = params_dictionary.get('calibration_file_1', None)
calibration_file_2 = params_dictionary.get('calibration_file_2', None)
data_directory = params_dictionary[ "data_directory" ]
output_directory = params_dictionary[ "output_directory" ]
+output_nexus = params_dictionary.get( "output_nexus", False)
min_tof = params_dictionary[ "min_tof" ]
max_tof = params_dictionary[ "max_tof" ]
use_monitor_counts = params_dictionary[ "use_monitor_counts" ]
@@ -145,7 +146,10 @@ print "\nProcessing File: " + full_name + " ......\n"
# Name the files to write for this run
#
run_niggli_matrix_file = output_directory + "/" + run + "_Niggli.mat"
-run_niggli_integrate_file = output_directory + "/" + run + "_Niggli.integrate"
+if output_nexus:
+ run_niggli_integrate_file = output_directory + "/" + run + "_Niggli.nxs"
+else:
+ run_niggli_integrate_file = output_directory + "/" + run + "_Niggli.integrate"
#
# Load the run data and find the total monitor counts
@@ -219,7 +223,10 @@ IndexPeaks( PeaksWorkspace=peaks_ws, Tolerance=tolerance)
# see these partial results
#
SaveIsawUB( InputWorkspace=peaks_ws,Filename=run_niggli_matrix_file )
-SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False,
+if output_nexus:
+ SaveNexus( InputWorkspace=peaks_ws, Filename=run_niggli_integrate_file )
+else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False,
Filename=run_niggli_integrate_file )
#
@@ -327,7 +334,10 @@ elif use_cylindrical_integration:
# This is the only file needed, for the driving script to get a combined
# result.
#
-SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False,
+if output_nexus:
+ SaveNexus( InputWorkspace=peaks_ws, Filename=run_niggli_integrate_file )
+else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False,
Filename=run_niggli_integrate_file )
# Print warning if user is trying to integrate using the cylindrical method and transorm the cell
@@ -342,13 +352,20 @@ else:
if (not cell_type is None) and (not centering is None) :
run_conventional_matrix_file = output_directory + "/" + run + "_" + \
cell_type + "_" + centering + ".mat"
- run_conventional_integrate_file = output_directory + "/" + run + "_" + \
+ if output_nexus:
+ run_conventional_integrate_file = output_directory + "/" + run + "_" + \
+ cell_type + "_" + centering + ".nxs"
+ else:
+ run_conventional_integrate_file = output_directory + "/" + run + "_" + \
cell_type + "_" + centering + ".integrate"
SelectCellOfType( PeaksWorkspace=peaks_ws,\
CellType=cell_type, Centering=centering,\
AllowPermutations=allow_perm,\
Apply=True, Tolerance=tolerance )
- SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False,\
+ if output_nexus:
+ SaveNexus( InputWorkspace=peaks_ws, Filename=run_conventional_integrate_file )
+ else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False,\
Filename=run_conventional_integrate_file )
SaveIsawUB( InputWorkspace=peaks_ws, Filename=run_conventional_matrix_file )
diff --git a/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_Parallel.py b/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_Parallel.py
index 16a978089c34d4a2f4c1ad37234f8ce01d269a62..804358531b1d668af187c5aedeea8ff4958e5339 100644
--- a/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_Parallel.py
+++ b/Code/Mantid/scripts/SCD_Reduction/ReduceSCD_Parallel.py
@@ -84,6 +84,7 @@ params_dictionary = ReduceDictionary.LoadDictionary( *config_files )
exp_name = params_dictionary[ "exp_name" ]
output_directory = params_dictionary[ "output_directory" ]
+output_nexus = params_dictionary.get( "output_nexus", False)
reduce_one_run_script = params_dictionary[ "reduce_one_run_script" ]
slurm_queue_name = params_dictionary[ "slurm_queue_name" ]
max_processes = int(params_dictionary[ "max_processes" ])
@@ -94,6 +95,7 @@ cell_type = params_dictionary[ "cell_type" ]
centering = params_dictionary[ "centering" ]
allow_perm = params_dictionary[ "allow_perm" ]
run_nums = params_dictionary[ "run_nums" ]
+data_directory = params_dictionary[ "data_directory" ]
use_cylindrical_integration = params_dictionary[ "use_cylindrical_integration" ]
instrument_name = params_dictionary[ "instrument_name" ]
@@ -153,14 +155,44 @@ print "***********************************************************************
# appending them to a combined output file.
#
niggli_name = output_directory + "/" + exp_name + "_Niggli"
-niggli_integrate_file = niggli_name + ".integrate"
+if output_nexus:
+ niggli_integrate_file = niggli_name + ".nxs"
+else:
+ niggli_integrate_file = niggli_name + ".integrate"
niggli_matrix_file = niggli_name + ".mat"
first_time = True
+
+if output_nexus:
+ #Only need this for instrument for peaks_total
+ short_filename = "%s_%s_event.nxs" % (instrument_name, str(run_nums[0]))
+ if data_directory is not None:
+ full_name = data_directory + "/" + short_filename
+ else:
+ candidates = FileFinder.findRuns(short_filename)
+ full_name = ""
+ for item in candidates:
+ if os.path.exists(item):
+ full_name = str(item)
+
+ if not full_name.endswith('nxs'):
+ print "Exiting since the data_directory was not specified and"
+ print "findnexus failed for event NeXus file: " + instrument_name + " " + str(run)
+ exit(0)
+ #
+ # Load the first data file to find instrument
+ #
+ wksp = LoadEventNexus( Filename=full_name, FilterByTofMin=0, FilterByTofMax=0 )
+ peaks_total = CreatePeaksWorkspace(NumberOfPeaks=0, InstrumentWorkspace=wksp)
+
if not use_cylindrical_integration:
for r_num in run_nums:
- one_run_file = output_directory + '/' + str(r_num) + '_Niggli.integrate'
- peaks_ws = LoadIsawPeaks( Filename=one_run_file )
+ if output_nexus:
+ one_run_file = output_directory + '/' + str(r_num) + '_Niggli.nxs'
+ peaks_ws = Load( Filename=one_run_file )
+ else:
+ one_run_file = output_directory + '/' + str(r_num) + '_Niggli.integrate'
+ peaks_ws = LoadIsawPeaks( Filename=one_run_file )
if first_time:
if UseFirstLattice and not read_UB:
# Find a UB (using FFT) for the first run to use in the FindUBUsingLatticeParameters
@@ -171,17 +203,27 @@ if not use_cylindrical_integration:
uc_alpha = peaks_ws.sample().getOrientedLattice().alpha()
uc_beta = peaks_ws.sample().getOrientedLattice().beta()
uc_gamma = peaks_ws.sample().getOrientedLattice().gamma()
- SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False, Filename=niggli_integrate_file )
-
+ if output_nexus:
+ peaks_total = CombinePeaksWorkspaces(LHSWorkspace=peaks_total, RHSWorkspace=peaks_ws)
+ SaveNexus( InputWorkspace=peaks_ws, Filename=niggli_integrate_file )
+ else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False, Filename=niggli_integrate_file )
first_time = False
else:
- SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=True, Filename=niggli_integrate_file )
+ if output_nexus:
+ peaks_total = CombinePeaksWorkspaces(LHSWorkspace=peaks_total, RHSWorkspace=peaks_ws)
+ SaveNexus( InputWorkspace=peaks_total, Filename=niggli_integrate_file )
+ else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=True, Filename=niggli_integrate_file )
#
# Load the combined file and re-index all of the peaks together.
# Save them back to the combined Niggli file (Or selcted UB file if in use...)
#
- peaks_ws = LoadIsawPeaks( Filename=niggli_integrate_file )
+ if output_nexus:
+ peaks_ws = Load( Filename=niggli_integrate_file )
+ else:
+ peaks_ws = LoadIsawPeaks( Filename=niggli_integrate_file )
#
# Find a Niggli UB matrix that indexes the peaks in this run
@@ -206,7 +248,10 @@ if not use_cylindrical_integration:
FindUBUsingFFT( PeaksWorkspace=peaks_ws, MinD=min_d, MaxD=max_d, Tolerance=tolerance )
IndexPeaks( PeaksWorkspace=peaks_ws, Tolerance=tolerance )
- SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False, Filename=niggli_integrate_file )
+ if output_nexus:
+ SaveNexus( InputWorkspace=peaks_ws, Filename=niggli_integrate_file )
+ else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False, Filename=niggli_integrate_file )
SaveIsawUB( InputWorkspace=peaks_ws, Filename=niggli_matrix_file )
#
@@ -216,12 +261,18 @@ if not use_cylindrical_integration:
if not use_cylindrical_integration:
if (not cell_type is None) and (not centering is None) :
conv_name = output_directory + "/" + exp_name + "_" + cell_type + "_" + centering
- conventional_integrate_file = conv_name + ".integrate"
+ if output_nexus:
+ conventional_integrate_file = conv_name + ".nxs"
+ else:
+ conventional_integrate_file = conv_name + ".integrate"
conventional_matrix_file = conv_name + ".mat"
SelectCellOfType( PeaksWorkspace=peaks_ws, CellType=cell_type, Centering=centering,\
AllowPermutations=allow_perm, Apply=True, Tolerance=tolerance )
- SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False, Filename=conventional_integrate_file )
+ if output_nexus:
+ SaveNexus( InputWorkspace=peaks_ws, Filename=conventional_integrate_file )
+ else:
+ SaveIsawPeaks( InputWorkspace=peaks_ws, AppendFile=False, Filename=conventional_integrate_file )
SaveIsawUB( InputWorkspace=peaks_ws, Filename=conventional_matrix_file )
if use_cylindrical_integration: