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  • 1. GSAS-II Requirements, Optional and Included Packages
    • 1.1. Supported Platforms
    • 1.2. Python Requirements
    • 1.3. GUI Requirements
    • 1.4. Scripting Requirements
    • 1.5. Optional Python Packages
    • 1.6. Required Binary Files
    • 1.7. Optional Binary Files
    • 1.8. Supported Externally-Developed Software
  • 2. Main routine: GSASII.py
    • 2.1. GSASII: GSAS-II GUI
    • 2.2. Keyboard Menu Shortcuts
    • 2.3. GSAS-II contents
      • G2App
        • G2App.ClearStartup()
        • G2App.MacOpenFiles()
  • 3. GSASIIobj: Data objects & Docs
    • 3.1. Summary/Contents
    • 3.2. Variable names in GSAS-II
    • 3.3. Constraints Tree Item
    • 3.4. Covariance Tree Item
    • 3.5. Phase Tree Items
    • 3.6. Rigid Body Objects
    • 3.7. Space Group Objects
    • 3.8. Phase Information
      • 3.8.1. Atom Records
      • 3.8.2. Drawing Atom Records
      • 3.8.3. Rigid Body Insertions
    • 3.9. Powder Diffraction Tree Items
      • 3.9.1. CW Instrument Parameters
      • 3.9.2. TOF Instrument Parameters
    • 3.10. Powder Reflection Data Structure
    • 3.11. Single Crystal Tree Items
    • 3.12. Single Crystal Reflection Data Structure
    • 3.13. Image Data Structure
    • 3.14. Parameter Dictionary
    • 3.15. Texture implementation
    • 3.16. ISODISTORT implementation
      • 3.16.1. Displacive modes
      • 3.16.2. Occupancy modes
      • 3.16.3. Mode Computations
    • 3.17. Parameter Limits
    • 3.18. GSASIIobj Classes and routines
      • AddPhase2Index()
      • AtomIdLookup
      • AtomRanIdLookup
      • CompileVarDesc()
      • CreatePDFitems()
      • DefaultControls
      • ExpressionCalcObj
        • ExpressionCalcObj.EvalExpression()
        • ExpressionCalcObj.SetupCalc()
        • ExpressionCalcObj.UpdateDict()
        • ExpressionCalcObj.UpdateVars()
        • ExpressionCalcObj.__init__()
        • ExpressionCalcObj.__weakref__
        • ExpressionCalcObj.compiledExpr
        • ExpressionCalcObj.eObj
        • ExpressionCalcObj.exprDict
        • ExpressionCalcObj.fxnpkgdict
        • ExpressionCalcObj.lblLookup
        • ExpressionCalcObj.parmDict
        • ExpressionCalcObj.su
        • ExpressionCalcObj.varLookup
      • ExpressionObj
        • ExpressionObj.CheckVars()
        • ExpressionObj.EditExpression()
        • ExpressionObj.GetDepVar()
        • ExpressionObj.GetIndependentVars()
        • ExpressionObj.GetVaried()
        • ExpressionObj.GetVariedVarVal()
        • ExpressionObj.LoadExpression()
        • ExpressionObj.ParseExpression()
        • ExpressionObj.SetDepVar()
        • ExpressionObj.UpdateVariedVars()
        • ExpressionObj.__init__()
        • ExpressionObj.__weakref__
        • ExpressionObj.assgnVars
        • ExpressionObj.expression
        • ExpressionObj.freeVars
        • ExpressionObj.lastError
      • FindFunction()
      • G2Exception
        • G2Exception.__init__()
        • G2Exception.__str__()
        • G2Exception.__weakref__
      • G2RefineCancel
        • G2RefineCancel.__init__()
        • G2RefineCancel.__str__()
        • G2RefineCancel.__weakref__
      • G2VarObj
        • G2VarObj.__eq__()
        • G2VarObj.__hash__()
        • G2VarObj.__init__()
        • G2VarObj.__repr__()
        • G2VarObj.__str__()
        • G2VarObj.__weakref__
        • G2VarObj._show()
        • G2VarObj.fmtVarByMode()
        • G2VarObj.varname()
      • GenWildCard()
      • GetPhaseNames()
      • HistIdLookup
      • HistRanIdLookup
      • HowDidIgetHere()
      • ImportBaseclass
        • ImportBaseclass.CIFValidator()
        • ImportBaseclass.ContentsValidator()
        • ImportBaseclass.ExtensionValidator()
        • ImportBaseclass.ImportException
        • ImportBaseclass.ReInitialize()
        • ImportBaseclass.__init__()
        • ImportBaseclass.__weakref__
      • ImportImage
        • ImportImage.InitParameters()
        • ImportImage.LoadImage()
        • ImportImage.ReInitialize()
        • ImportImage.__init__()
      • ImportPDFData
        • ImportPDFData.ReInitialize()
        • ImportPDFData.__init__()
      • ImportPhase
        • ImportPhase.__init__()
      • ImportPowderData
        • ImportPowderData.ReInitialize()
        • ImportPowderData.__init__()
      • ImportReflectometryData
        • ImportReflectometryData.ReInitialize()
        • ImportReflectometryData.__init__()
      • ImportSmallAngleData
        • ImportSmallAngleData.ReInitialize()
        • ImportSmallAngleData.__init__()
      • ImportStructFactor
        • ImportStructFactor.Banks
        • ImportStructFactor.InitParameters()
        • ImportStructFactor.Parameters
        • ImportStructFactor.ReInitialize()
        • ImportStructFactor.UpdateParameters()
        • ImportStructFactor.__init__()
      • IndexAllIds()
      • LookupAtomId()
      • LookupAtomLabel()
      • LookupHistId()
      • LookupHistName()
      • LookupPhaseId()
      • LookupPhaseName()
      • LookupWildCard()
      • MakeUniqueLabel()
      • PhaseIdLookup
      • PhaseRanIdLookup
      • ReadCIF()
      • SetDefaultSample()
      • SetNewPhase()
      • ShortHistNames
      • ShortPhaseNames
      • ShowTiming
        • ShowTiming.__init__()
        • ShowTiming.__weakref__
      • SortVariables()
      • StripUnicode()
      • TestIndexAll()
      • VarDescr()
      • _lookup()
      • fmtVarDescr()
      • getDescr()
      • getVarDescr()
      • getVarStep()
      • prmLookup()
      • reVarDesc
      • reVarStep
      • removeNonRefined()
      • validateAtomDrawType()
  • 4. GSAS-II Utility Modules
    • 4.1. GSASIIpath: locations & updates
      • 4.1.1. GSASIIpath Classes & Routines
        • DoNothing()
        • DownloadG2Binaries()
        • GetBinaryPrefix()
        • GetConfigValue()
        • GetVersionNumber()
        • IPyBreak()
        • IPyBreak_base()
        • InvokeDebugOpts()
        • LoadConfigFile()
        • MacRunScript()
        • MacStartGSASII()
        • MakeByte2str()
        • SetBinaryPath()
        • SetConfigValue()
        • SetVersionNumber()
        • TestSPG()
        • addCondaPkg()
        • addPrevGPX()
        • commonPath()
        • condaEnvCreate()
        • condaInstall()
        • condaTest()
        • exceptHook()
        • findConda()
        • fullsplit()
        • g2home
        • getsvnProxy()
        • makeScriptShortcut()
        • pdbBreak()
        • pipInstall()
        • proxycmds
        • runScript()
        • setsvnProxy()
        • svnChecksumPatch()
        • svnCleanup()
        • svnFindLocalChanges()
        • svnGetFileStatus()
        • svnGetLog()
        • svnGetRev()
        • svnInstallDir()
        • svnList()
        • svnLocCache
        • svnSwitch2branch()
        • svnSwitchDir()
        • svnUpdateDir()
        • svnUpdateProcess()
        • svnUpgrade()
        • svnVersion()
        • svnVersionNumber()
        • whichsvn()
    • 4.2. GSASIIlog: Logging of “Actions”
      • 4.2.1. GSASIIlog Classes & Routines
        • ButtonBindingLookup
        • ButtonLogEntry
        • G2logList
        • InvokeMenuCommand()
        • LogEntry
        • LogInfo
        • LogOff()
        • LogOn()
        • LogVarChange()
        • MakeButtonLog()
        • MakeTabLog()
        • MakeTreeLog()
        • MenuBindingLookup
        • MenuLogEntry
        • OnReplayPress()
        • ReplayLog()
        • SaveMenuCommand()
        • ShowLogStatus()
        • TabLogEntry
        • TreeLogEntry
        • VarLogEntry
        • dictLogged
        • listLogged
    • 4.3. config_example.py: Configuration options
      • 4.3.1. Configuration variables
        • Arc_mask_azimuth
        • Autoint_PollTime
        • Autoscale_ParmNames
        • Clip_on
        • Column_Metadata_directory
        • Contour_color
        • DefaultAutoScale
        • DrawAtoms_default
        • Enable_logging
        • G2RefinementWindow
        • Help_mode
        • Image_2theta_max
        • Image_2theta_min
        • Image_calibrant
        • Import_directory
        • Instprm_default
        • Main_Pos
        • Main_Size
        • Movie_fps
        • Movie_time
        • Multiprocessing_cores
        • PDF_Rmax
        • Plot_Colors
        • Plot_Pos
        • Plot_Size
        • Ring_mask_thickness
        • Save_paths
        • SeparateHistPhaseTreeItem
        • Show_timing
        • Spot_mask_diameter
        • Starting_directory
        • Tick_length
        • Tick_width
        • Transpose
        • Tutorial_location
        • debug
        • enum_DrawAtoms_default
        • fullIntegrate
        • fullrmc_exec
        • lastUpdateNotice
        • logging_debug
        • pdffit2_exec
        • previous_GPX_files
        • show_gpxSize
        • svn_exec
        • wxInspector
    • 4.4. GSASIIElem: functions for element types
      • 4.4.1. GSASIIElem Routines
        • CheckElement()
        • ComptonFac()
        • FPcalc()
        • FixValence()
        • GetAtomInfo()
        • GetBLtable()
        • GetEFFtable()
        • GetEFormFactorCoeff()
        • GetFFC5()
        • GetFFtable()
        • GetFormFactorCoeff()
        • GetMFtable()
        • GetMagFormFacCoeff()
        • GetXsectionCoeff()
        • MagScatFac()
        • ScatFac()
        • SetupGeneral()
        • getBLvalues()
        • getFFvalues()
        • getMFvalues()
    • 4.5. GSASIIlattice: Unit Cell Computations
      • 4.5.1. GSASIIlattice Classes & Routines
        • A2Gmat()
        • A2cell()
        • A2invcell()
        • AplusDij()
        • CellAbsorption()
        • CellBlock()
        • CellDijCorr()
        • CentCheck()
        • CosAngle()
        • CosSinAngle()
        • CrsAng()
        • CubicSHarm()
        • Dsp2pos()
        • FindNonstandard()
        • Flnh()
        • GenCellConstraints()
        • GenHBravais()
        • GenHLaue()
        • GenPfHKLs()
        • GenRBCoeff()
        • GenSHCoeff()
        • GenSSHLaue()
        • GenShCoeff()
        • GenerateCellConstraints()
        • GetBraviasNum()
        • GetKcl()
        • GetKclKsl()
        • GetKsl()
        • Glnh()
        • Gmat2A()
        • Gmat2AB()
        • Gmat2cell()
        • H2ThPh()
        • HKL2SpAng()
        • Hx2Rh()
        • KslCalc()
        • LaueUnique()
        • LaueUnique2()
        • MaxIndex()
        • OdfChk()
        • PlaneIntercepts()
        • Pos2dsp()
        • RBChk()
        • RBsymCheck()
        • RBsymChk()
        • Rh2Hx()
        • SHarmcal()
        • SamAng()
        • SphHarmAng()
        • SwapIndx()
        • SwapItems()
        • TOF2dsp()
        • TransformCell()
        • TransformPhase()
        • U6toUij()
        • Uij2Ueqv()
        • Uij2betaij()
        • UijtoU6()
        • UniqueCellByLaue
        • betaij2Uij()
        • calc_V()
        • calc_rDsq()
        • calc_rDsq2()
        • calc_rDsqSS()
        • calc_rDsqT()
        • calc_rDsqTSS()
        • calc_rDsqZ()
        • calc_rDsqZSS()
        • calc_rV()
        • calc_rVsq()
        • cell2A()
        • cell2AB()
        • cell2GS()
        • cell2Gmat()
        • cellAlbl
        • cellDijFill()
        • cellUlbl
        • cellUnique()
        • cellXformRelations
        • cellZeros()
        • combinations()
        • criticalEllipse()
        • fillgmat()
        • fmtCellConstraints()
        • getHKLmax()
        • getPeakPos()
        • invcell2Gmat()
        • invpolfcal()
        • permutations()
        • polfcal()
        • prodMGMT()
        • rotdMat()
        • rotdMat4()
        • sec2HMS()
        • selections()
        • selftestlist
        • sortHKLd()
        • subVals()
        • symInner()
        • test1()
        • test2()
        • test3()
        • test4()
        • test5()
        • test6()
        • test7()
        • test8()
        • test9()
        • textureIndex()
        • transposeHKLF()
        • uniqueCombinations()
    • 4.6. GSASIIspc: Space Group Computations
      • 4.6.1. GSASIIspc Classes & Routines
        • AllOps()
        • ApplyStringOps()
        • ApplyStringOpsMom()
        • AtomDxSymFix()
        • CheckSpin()
        • ElemPosition()
        • GenAtom()
        • GenHKL()
        • GenHKLf()
        • GetCSpqinel()
        • GetCSuinel()
        • GetCSxinel()
        • GetGenSym()
        • GetKNsym()
        • GetLittleGrpOps()
        • GetNXUPQsym()
        • GetOprName()
        • GetOprPtrName()
        • GetOprPtrNumber()
        • GetSGSpin()
        • HStrainNames()
        • Latt2text()
        • MT2text()
        • MagSSText2MTS()
        • MagSytSym()
        • MagText2MTS()
        • MoveToUnitCell()
        • Muiso2Shkl()
        • MustrainCoeff()
        • MustrainNames()
        • Opposite()
        • SGErrors()
        • SGPrint()
        • SGProd()
        • SGPtGroup()
        • SGpolar()
        • SSChoice()
        • SSGModCheck()
        • SSGPrint()
        • SSLatt2text()
        • SSMT2text()
        • SSpaceGroup()
        • SSpcGroup()
        • SpaceGroup()
        • SpcGroup()
        • StandardizeSpcName()
        • StringOpsProd()
        • SytSym()
        • Text2MT()
        • TextOps()
        • Trans2Text()
        • UpdateSytSym()
        • altSettingOrtho
        • checkHKLextc()
        • checkMagextc()
        • fixMono()
        • fullHM2shortHM()
        • selftestlist
        • sgequiv_2002_orthorhombic
        • spg2origins
        • spgbyNum
        • spglist
        • splitSSsym()
        • test0()
        • test1()
        • test2()
        • test3()
    • 4.7. GSASIIfiles: data (non-GUI) I/O routines
      • 4.7.1. GSASIIfiles Classes & Routines
        • FormatPadValue()
        • FormatSigFigs()
        • FormatValue()
        • FormulaEval()
        • G2Print()
        • G2SetPrintLevel()
        • G2printLevel
        • GetColumnMetadata()
        • LoadControls()
        • LoadExportRoutines()
        • LoadImportRoutines()
        • PDFWrite()
        • ReadPowderInstprm()
        • RereadImageData()
        • SetPowderInstParms()
        • WriteControls()
        • evalColMetadataDicts()
        • find()
        • readColMetadata()
        • readColMetadataLabels()
        • readMasks()
        • sfloat()
    • 4.8. GSASIImpsubs: routines used in multiprocessing
      • 4.8.1. GSASIImpsubs Classes & Routines
        • ComputePwdrProfCW()
        • ComputePwdrProfED()
        • ComputePwdrProfPink()
        • ComputePwdrProfTOF()
        • InitFobsSqGlobals()
        • InitMP()
        • InitPwdrProfGlobals()
        • ResetMP()
    • 4.9. Module nistlat: NIST*LATTICE cell computations
      • 4.9.1. nistlat Classes & Routines
        • CellSymSearch()
        • CompareCell()
        • ConvCell()
        • ReduceCell()
        • showCell()
        • uniqCells()
    • 4.10. ReadMarCCDFrame: Read Mar Files
      • marFrame
    • 4.11. G2shapes: Compute SAS particle shapes
  • 5. GSAS-II GUI Support Modules
    • 5.1. GSASIIctrlGUI: Custom GUI controls
      • 5.1.1. GSASIIctrlGUI Classes & Routines
        • ASCIIValidator
        • BlockSelector()
        • CallScrolledMultiEditor()
        • Define_wxId()
        • DisAglDialog
        • EnumSelector
        • FlagSetDialog
        • G2CheckBox
        • G2CheckBoxFrontLbl()
        • G2ChoiceButton
        • G2ColumnIDDialog
        • G2HistoDataDialog
        • G2HtmlWindow
        • G2LoggedButton
        • G2LstCtrl
        • G2MessageBox()
        • G2MultiChoiceDialog
        • G2MultiChoiceWindow
        • G2RadioButtons()
        • G2RefinementProgress
        • G2ScrolledGrid()
        • G2SingleChoiceDialog
        • G2Slider
        • G2SliderWidget()
        • G2SpinWidget()
        • G2TreeCtrl
        • GSGrid
        • GSNoteBook
        • GetConfigValsDocs()
        • GetExportPath()
        • GetImportFile()
        • GetImportPath()
        • GetItemOrder()
        • GridFractionEditor
        • HelpButton
        • HorizontalLine()
        • ItemSelector()
        • Load2Cells()
        • MultiColumnSelection
        • MultiDataDialog
        • MultiIntegerDialog
        • MultiStringDialog
        • MultipleBlockSelector()
        • MultipleChoicesDialog
        • MultipleChoicesSelector()
        • MyHelp
        • MyHtmlPanel
        • NumberValidator
        • OpenTutorial
        • OrderBox
        • PhaseSelector()
        • PickTwoDialog
        • ReadOnlyTextCtrl()
        • RefinementProgress
        • SGMagSpinBox
        • SGMessageBox
        • SaveConfigVars()
        • ScrolledMultiEditor
        • ScrolledStaticText
        • SelectConfigSetting
        • SelectEdit1Var()
        • ShowHelp()
        • ShowLSParms
        • ShowScrolledColText()
        • ShowScrolledInfo()
        • ShowWebPage()
        • SingleFloatDialog
        • SingleIntDialog
        • SingleStringDialog
        • SortableLstCtrl
        • StripIndents()
        • StripUnicode()
        • Table
        • ValidatedTxtCtrl
        • VirtualVarBox
        • XformMatrix()
        • askSaveDirectory()
        • askSaveFile()
        • downdate
        • getTextSize()
        • gpxFileSelector
        • makeContourSliders()
        • setColorButton()
        • showUniqueCell()
        • skimGPX()
        • updateNoticeDict
        • updateNotifier()
    • 5.2. GSASIIIO: Misc I/O routines
      • 5.2.1. GSASIIIO Classes & Routines
        • ExportBaseclass
        • ExportPowder()
        • ExportPowderList()
        • ExportSequential()
        • ExportSequentialFullCIF()
        • ExtractFileFromZip()
        • FileDlgFixExt()
        • GetCheckImageFile()
        • GetImageData()
        • GetPowderPeaks()
        • IndexPeakListSave()
        • LoadImage2Tree()
        • PeakListSave()
        • ProjFileOpen()
        • ProjFileSave()
        • PutG2Image()
        • ReadImages()
        • SaveIntegration()
        • XYsave()
        • objectScan()
        • postURL()
        • sfloat()
        • sint()
        • striphist()
        • trim()
    • 5.3. gltext: draw OpenGL text
      • Text
        • Text.centered
        • Text.draw_text()
        • Text.font
        • Text.font_size
        • Text.foreground
        • Text.getTextElement()
        • Text.getTexture()
        • Text.getTexture_size()
        • Text.setCentered()
        • Text.setFont()
        • Text.setFont_size()
        • Text.setForeground()
        • Text.setText()
        • Text.text
        • Text.text_element
        • Text.texture
        • Text.texture_size
      • TextElement
        • TextElement.bind()
        • TextElement.centered
        • TextElement.createTexture()
        • TextElement.deleteTexture()
        • TextElement.draw_text()
        • TextElement.font
        • TextElement.foreground
        • TextElement.isBound()
        • TextElement.owner_cnt
        • TextElement.release()
        • TextElement.text
        • TextElement.texture
        • TextElement.texture_size
  • 6. GSAS-II GUI Components
    • 6.1. GSASIIdataGUI: Main GUI for GSAS-II
      • 6.1.1. GSASIIdataGUI Classes & Routines
        • FindPhaseItem()
        • G2DataWindow
        • GSASII
        • GSASIImain()
        • GUIpatches()
        • GetDisplay()
        • GetGPXtreeDataNames()
        • GetGPXtreeItemId()
        • MergeDialog
        • SelectDataTreeItem()
        • SetDataMenuBar()
        • SetDefaultDData()
        • ShowVersions()
        • TestOldVersions()
        • UpdateComments()
        • UpdateControls()
        • UpdateNotebook()
        • UpdatePWHKPlot()
        • compareVersions()
        • convVersion()
        • versionDict
    • 6.2. GSASIIseqGUI: Sequential Results GUI
      • 6.2.1. GSASIIseqGUI Classes & Routines
        • UpdateSeqResults()
    • 6.3. GSASIIphsGUI: Phase GUI
      • 6.3.1. GSASIIphsGUI Classes & Routines
        • AddHatomDialog
        • DIFFaXcontrols
        • FindBondsDraw()
        • FindBondsDrawCell()
        • FindCoordination()
        • FindCoordinationByLabel()
        • RotationDialog
        • SetDrawingDefaults()
        • SphereEnclosure
        • SymOpDialog
        • TransformDialog
        • UpdatePhaseData()
        • UseMagAtomDialog
        • VoidMap()
        • checkPDFfit()
        • getAtomRadii()
        • getAtomSelections()
        • getPawleydRange()
        • updateAddRBorientText()
    • 6.4. GSASIIddataGUI: Phase Diffraction Data GUI
      • 6.4.1. GSASIIddataGUI Classes & Routines
        • MakeHistPhaseWin()
        • UpdateDData()
    • 6.5. GSASIIElemGUI: GUI to select and delete element lists
      • 6.5.1. GSASIIElemGUI Classes & Routines
        • DeleteElement
        • PickElement
        • PickElements
    • 6.6. GSASIIconstrGUI: Constraint GUI routines
      • 6.6.1. GSASIIconstrGUI Classes & Routines
        • CheckAllScalePhaseFractions()
        • CheckConstraints()
        • CheckScalePhaseFractions()
        • ConstraintDialog
        • DragableRBGrid
        • G2BoolEditor
        • RBDataTable
        • ShowIsoDistortCalc()
        • ShowIsoModes()
        • TransConstraints()
        • UpdateConstraints()
        • UpdateRigidBodies()
    • 6.7. GSASIIrestrGUI: Restraint GUI routines
      • 6.7.1. GSASIIrestrGUI Classes & Routines
        • GetSelectedRows()
        • UpdateRestraints()
    • 6.8. GSASIIimgGUI: Image GUI
      • 6.8.1. GSASIIimgGUI Classes & Routines
        • AutoIntFrame
        • CleanupMasks()
        • DefineEvaluator()
        • GetImageZ()
        • ImgIntLstCtrl
        • IntegParmTable
        • ReadControls()
        • ReadMask()
        • Read_imctrl()
        • UpdateImageControls()
        • UpdateMasks()
        • UpdateStressStrain()
        • testColumnMetadata()
    • 6.9. GSASIIpwdGUI: Powder Pattern GUI routines
      • 6.9.1. GSASIIpwdGUI Classes & Routines
        • CopyPlotCtrls()
        • CopySelectedHistItems()
        • GetFileBackground()
        • GetFileList()
        • GetHistsLikeSelected()
        • IsHistogramInAnyPhase()
        • OptimizePDF()
        • RDFDialog
        • SetCopyNames()
        • SetDefaultREFDModel()
        • SetDefaultSASDModel()
        • SetDefaultSubstances()
        • SetupSampleLabels()
        • SubCellsDialog
        • TestAtoms()
        • TestMagAtoms()
        • UpdateBackground()
        • UpdateIndexPeaksGrid()
        • UpdateInstrumentGrid()
        • UpdateLimitsGrid()
        • UpdateModelsGrid()
        • UpdatePDFGrid()
        • UpdatePeakGrid()
        • UpdateREFDModelsGrid()
        • UpdateReflectionGrid()
        • UpdateSampleGrid()
        • UpdateSubstanceGrid()
        • UpdateUnitCellsGrid()
        • addAutoBack()
        • autoBackground
        • computePDF()
    • 6.10. GSASIIexprGUI: Expression Handling
      • 6.10.1. GSASIIexprGUI Classes & Routines
        • AngleDialog
        • BondDialog
        • ExpressionDialog
        • IndexParmDict()
        • LoadDefaultExpressions()
    • 6.11. GSASIIfpaGUI: Fundamental Parameters Routines
      • 6.11.1. GSASIIfpaGUI Classes & Routines
        • BBPSDDetector
        • BBPointDetector
        • BraggBrentanoParms
        • DetMode
        • FillParmSizer()
        • IBmono
        • IBmonoParms
        • MakeSimSizer()
        • MakeTopasFPASizer()
        • NISTparms
        • SetCu2Wave()
        • SetCu6wave()
        • SetMonoWave()
        • XferFPAsettings()
        • doFPAcalc()
        • parmDict
        • setupFPAcalc()
        • simParms
        • writeNIST()
    • 6.12. fprime: compute f’ & f”
      • 6.12.1. fprime Classes & Routines
        • Fprime
    • 6.13. Absorb: Compute X-ray Absorption
      • 6.13.1. Absorb Classes & Routines
        • Absorb
  • 7. GSAS-II Data Storage Modules
    • 7.1. GSASIIdata: Ramachandran Parameters
    • 7.2. ElementTable: Periodic Table Data
    • 7.3. FormFactors: Scattering Data
    • 7.4. ImageCalibrants: Calibration Standards
      • 7.4.1. User-Defined Calibrants
    • 7.5. atmdata: Table of atomic data
    • 7.6. defaultIparms: Table of instrument parameters
  • 8. GSAS-II Structure Submodules
    • 8.1. GSASIIstrMain: main structure routine
      • 8.1.1. GSASIIstrMain Classes & Routines
        • BestPlane()
        • CheckLeBail()
        • DisAglTor()
        • DoLeBail()
        • PrintDistAngle()
        • Refine()
        • RefineCore()
        • ReportProblems()
        • RetDistAngle()
        • SeqRefine()
        • do_refine()
        • dropOOBvars()
        • phaseCheck()
    • 8.2. GSASIIstrMath - structure math routines
      • 8.2.1. GSASIIstrMath Classes & Routines
        • ApplyRBModelDervs()
        • ApplyRBModels()
        • ApplyXYZshifts()
        • Dict2Values()
        • GetAbsorb()
        • GetAbsorbDerv()
        • GetAtomFXU()
        • GetAtomSSFXU()
        • GetFobsSq()
        • GetHStrainShift()
        • GetHStrainShiftDerv()
        • GetIntensityCorr()
        • GetIntensityDerv()
        • GetNewCellParms()
        • GetPrefOri()
        • GetPrefOriDerv()
        • GetPwdrExt()
        • GetPwdrExtDerv()
        • GetReflPos()
        • GetReflPosDerv()
        • GetSampleSigGam()
        • GetSampleSigGamDerv()
        • HessRefine()
        • MagStructureFactor2()
        • MagStructureFactorDerv()
        • MagStructureFactorDerv2()
        • MakeSpHarmFF()
        • SCExtinction()
        • SHPOcal()
        • SHPOcalDerv()
        • SHTXcal()
        • SHTXcalDerv()
        • SStructureFactor()
        • SStructureFactorDerv()
        • SStructureFactorDerv2()
        • SStructureFactorDervTw()
        • SStructureFactorTw()
        • StructureFactor2()
        • StructureFactorDerv2()
        • StructureFactorDervTw2()
        • Values2Dict()
        • calcMassFracs()
        • dervHKLF()
        • dervRefine()
        • errRefine()
        • getPowderProfile()
        • getPowderProfileDerv()
        • penaltyDeriv()
        • penaltyFxn()
    • 8.3. GSASIIstrIO: structure I/O routines
      • 8.3.1. GSASIIstrIO Classes & Routines
        • GPXBackup()
        • GetAllPhaseData()
        • GetControls()
        • GetFprime()
        • GetFullGPX()
        • GetHistogramData()
        • GetHistogramNames()
        • GetHistogramPhaseData()
        • GetHistograms()
        • GetPawleyConstr()
        • GetPhaseData()
        • GetPhaseNames()
        • GetRestraints()
        • GetRigidBodies()
        • GetRigidBodyModels()
        • GetSeqResult()
        • GetUsedHistogramsAndPhases()
        • IndexGPX()
        • PrintISOmodes()
        • PrintIndependentVars()
        • PrintRestraints()
        • ReadCheckConstraints()
        • ReadConstraints()
        • SaveUpdatedHistogramsAndPhases()
        • SetHistogramData()
        • SetHistogramPhaseData()
        • SetISOmodes()
        • SetPhaseData()
        • SetRigidBodyModels()
        • SetSeqResult()
        • SetUsedHistogramsAndPhases()
        • SetupSeqSavePhases()
        • ShowBanner()
        • ShowControls()
        • WriteRBObjPOAndSig()
        • WriteRBObjSHCAndSig()
        • WriteRBObjTLSAndSig()
        • WriteRBObjTorAndSig()
        • WriteResRBModel()
        • WriteVecRBModel()
        • cellFill()
        • cellVary()
        • fmtESD()
        • getBackupName()
        • getCellEsd()
        • getCellSU()
        • gpxSize
  • 9. GSASIImapvars: Param Constraints
    • 9.1. Summary/Contents
    • 9.2. Externally-Accessible Routines
    • 9.3. Types of constraints
      • 9.3.1. Alternate parameters (New Var)
      • 9.3.2. Constrained parameters (Const)
      • 9.3.3. Equivalenced parameters (Equiv)
      • 9.3.4. Hold parameters (Fixed)
    • 9.4. Constraint Processing
      • 9.4.1. Constraint Reorganization (ProcessConstraints())
      • 9.4.2. Constraint Checking and Grouping (GenerateConstraints())
      • 9.4.3. Equivalence Checking and Reorganization (CheckEquivalences())
    • 9.5. Global Variables
    • 9.6. GSASIImapvars Routines/variables
      • CheckEquivalences()
      • ComputeDepESD()
      • ConstraintException
        • ConstraintException.__weakref__
      • Dict2Deriv()
      • Dict2Map()
      • EvaluateMultipliers()
      • GenerateConstraints()
      • GetDependentVars()
      • GetIndependentVars()
      • GetSymEquiv()
      • GramSchmidtOrtho()
      • GroupConstraints()
      • InitVars()
      • Map2Dict()
      • ProcessConstraints()
      • StoreEquivalence()
      • StoreHold()
      • SubfromParmDict()
      • VarKeys()
      • VarRemapShow()
      • _FillArray()
      • _FormatConstraint()
      • _RowEchelon()
      • _SwapColumns()
      • _showEquiv()
      • arrayList
      • consNum
      • constrParms
      • constrVarList
      • convVarList
      • depVarList
      • dependentParmList
      • getConstrError()
      • getInvConstraintEq()
      • groupErrors
      • holdParmList
      • holdParmType
      • indParmList
      • indepVarList
      • invarrayList
      • multdepVarList
      • normParms()
      • paramPrefix
      • saveVaryList
      • symGenList
      • undefinedVars
      • unvariedParmsList
  • 10. GSASIIimage: Image calc module
    • 10.1. Summary/Contents
    • 10.2. GSASIIimage Routines
      • AutoPixelMask()
      • DoPolaCalib()
      • EdgeFinder()
      • FastAutoPixelMask()
      • Fill2ThetaAzimuthMap()
      • FitDetector()
      • FitImageSpots()
      • FitMultiDist()
      • FitStrSta()
      • FitStrain()
      • GetAzm()
      • GetDetXYfromThAzm()
      • GetDetectorXY()
      • GetDetectorXY2()
      • GetDsp()
      • GetEllipse()
      • GetEllipse2()
      • GetTth()
      • GetTthAzm()
      • GetTthAzmDsp()
      • GetTthAzmDsp2()
      • GetTthAzmG()
      • GetTthAzmG2()
      • ImageCalibrate()
      • ImageCompress()
      • ImageIntegrate()
      • ImageLocalMax()
      • ImageRecalibrate()
      • Make2ThetaAzimuthMap()
      • MakeFrameMask()
      • MakeMaskMap()
      • MakeUseMask()
      • MakeUseTA()
      • TestFastPixelMask()
      • calcFij()
      • checkEllipse()
      • makeMat()
      • makeRing()
      • peneCorr()
      • pointInPolygon()
  • 11. GSASIImath: computation module
    • 11.1. Summary/Contents
    • 11.2. GSASIImath Classes and routines
      • AV2Q()
      • AVdeg2Q()
      • ApplyModeDisp()
      • ApplyModulation()
      • ApplySeqData()
      • AtomTLS2UIJ()
      • AtomsCollect()
      • BessIn()
      • BessJn()
      • CalcIsoCoords()
      • CalcIsoDisp()
      • Cart2Polar()
      • ChargeFlip()
      • Den2Vol()
      • DrawAtomsReplaceByID()
      • El2EstVol()
      • El2Mass()
      • FillAtomLookUp()
      • FindAllNeighbors()
      • FindAtomIndexByIDs()
      • Fourier4DMap()
      • FourierMap()
      • G2NormException
        • G2NormException.__weakref__
      • GetAngleSig()
      • GetAtomCoordsByID()
      • GetAtomFracByID()
      • GetAtomItemsById()
      • GetAtomMomsByID()
      • GetAtomsById()
      • GetDATSig()
      • GetDistSig()
      • GetMag()
      • GetMagDerv()
      • GetSHCoeff()
      • GetTorsionSig()
      • GetXYZDist()
      • HessianLSQ()
      • HessianSVD()
      • MagMod()
      • MagMod2()
      • MakeDrawAtom()
      • Modulation()
      • ModulationDerv()
      • ModulationTw()
      • NCScattDen()
      • OmitMap()
      • PeaksEquiv()
      • PeaksUnique()
      • Polar2Cart()
      • Q2AV()
      • Q2AVdeg()
      • Q2Mat()
      • RotPolbyQ()
      • RotateRBXYZ()
      • SSChargeFlip()
      • SearchMap()
      • SetMolCent()
      • TLS2Uij()
      • UpdateMCSAxyz()
      • UpdateRBUIJ()
      • UpdateRBXYZ()
      • ValEsd()
      • Vol2Den()
      • XScattDen()
      • adjHKLmax()
      • anneal()
      • calcRamaEnergy()
      • calcTorsionEnergy()
      • dropTerms()
      • findOffset()
      • findSSOffset()
      • getAngSig()
      • getAtomPtrs()
      • getAtomXYZ()
      • getCWgam()
      • getCWgamDeriv()
      • getCWsig()
      • getCWsigDeriv()
      • getDensity()
      • getDistDerv()
      • getEDgam()
      • getEDgamDeriv()
      • getEDsig()
      • getEDsigDeriv()
      • getMass()
      • getMeanWave()
      • getPinkNalpha()
      • getPinkNalphaDeriv()
      • getPinkNbeta()
      • getPinkNbetaDeriv()
      • getPinkXalpha()
      • getPinkXalphaDeriv()
      • getPinkXbeta()
      • getPinkXbetaDeriv()
      • getRBTransMat()
      • getRamaDeriv()
      • getRestAngle()
      • getRestChiral()
      • getRestDeriv()
      • getRestDist()
      • getRestPlane()
      • getRestPolefig()
      • getRestPolefigDerv()
      • getRestRama()
      • getRestTorsion()
      • getRho()
      • getRhos()
      • getSyXYZ()
      • getTOFalpha()
      • getTOFalphaDeriv()
      • getTOFbeta()
      • getTOFbetaDeriv()
      • getTOFgamma()
      • getTOFgammaDeriv()
      • getTOFsig()
      • getTOFsigDeriv()
      • getTorsionDeriv()
      • getVCov()
      • getWave()
      • invQ()
      • make2Quat()
      • makeQuat()
      • makeWaves()
      • makeWavesDerv()
      • mcsaSearch()
      • normQ()
      • patchIsoDisp()
      • pinv()
      • printRho()
      • prodQQ()
      • prodQVQ()
      • randomAVdeg()
      • randomQ()
      • searchBondRestr()
      • setHcorr()
      • setPeakparms()
      • setSVDwarn()
      • sortArray()
      • wavekE()
  • 12. GSASIIindex: Cell Indexing Module
    • 12.1. Summary/Contents
    • 12.2. GSASIIindex routines
      • A2values()
      • DoIndexPeaks()
      • FitHKL()
      • FitHKLE()
      • FitHKLT()
      • FitHKLTSS()
      • FitHKLZ()
      • FitHKLZSS()
      • IndexPeaks()
      • IndexSSPeaks()
      • TestData()
      • Values2A()
      • calc_M20()
      • calc_M20SS()
      • findBestCell()
      • getDmax()
      • getDmin()
      • halfCell()
      • monoCellReduce()
      • oddPeak()
      • ran2axis()
      • ranAbyR()
      • ranAbyV()
      • ranaxis()
      • rancell()
      • refinePeaks()
      • refinePeaksE()
      • refinePeaksT()
      • refinePeaksTSS()
      • refinePeaksZ()
      • refinePeaksZSS()
      • rotOrthoA()
      • scaleAbyV()
      • sortM20()
      • swapMonoA()
  • 13. GSASIIplot: plotting routines
    • 13.1. Summary/Contents
    • 13.2. List of Graphics routines
    • 13.3. Window management routines
    • 13.4. GSASIIplot Classes and routines
      • ComputeArc()
      • CopyRietveldPlot()
      • G2Plot3D
        • G2Plot3D.__init__()
      • G2PlotMpl
        • G2PlotMpl.__init__()
      • G2PlotNoteBook
        • G2PlotNoteBook.Delete()
        • G2PlotNoteBook.FindPlotTab()
        • G2PlotNoteBook.GetTabIndex()
        • G2PlotNoteBook.InvokeTreeItem()
        • G2PlotNoteBook.OnNotebookKey()
        • G2PlotNoteBook.OnPageChanged()
        • G2PlotNoteBook.RaisePageNoRefresh()
        • G2PlotNoteBook.RegisterRedrawRoutine()
        • G2PlotNoteBook.Rename()
        • G2PlotNoteBook.SetHelpButton()
        • G2PlotNoteBook.SetNoDelete()
        • G2PlotNoteBook.SetSelectionNoRefresh()
        • G2PlotNoteBook.__init__()
        • G2PlotNoteBook._addPage()
        • G2PlotNoteBook.add3D()
        • G2PlotNoteBook.addMpl()
        • G2PlotNoteBook.addOgl()
        • G2PlotNoteBook.clear()
      • G2PlotOgl
        • G2PlotOgl.__init__()
      • GSASIItoolbar
        • GSASIItoolbar.OnArrow()
        • GSASIItoolbar.OnHelp()
        • GSASIItoolbar.OnKey()
        • GSASIItoolbar.__init__()
        • GSASIItoolbar._update_view()
        • GSASIItoolbar.get_zoompan()
        • GSASIItoolbar.set_message()
      • ModulationPlot()
      • OnStartMask()
      • OnStartNewDzero()
      • Plot1DSngl()
      • Plot3DSngl()
      • Plot3dXYZ()
      • PlotAAProb()
      • PlotBarGraph()
      • PlotBeadModel()
      • PlotCalib()
      • PlotClusterXYZ()
      • PlotCovariance()
      • PlotDeltSig()
      • PlotExposedImage()
      • PlotFPAconvolutors()
      • PlotISFG()
      • PlotImage()
      • PlotIntegration()
      • PlotLayers()
      • PlotNamedFloatHBarGraph()
      • PlotPatterns()
      • PlotPeakWidths()
      • PlotPowderLines()
      • PlotRama()
      • PlotRawImage()
      • PlotRigidBody()
      • PlotSASDPairDist()
      • PlotSASDSizeDist()
      • PlotSelectedSequence()
      • PlotSizeStrainPO()
      • PlotSngl()
      • PlotStrain()
      • PlotStructure()
      • PlotTRImage()
      • PlotTexture()
      • PlotTorsion()
      • PlotXY()
      • PlotXYZ()
      • PlotXYZvect()
      • PublishRietveldPlot()
      • ReplotPattern()
      • ToggleMultiSpotMask()
      • UpdatePolygon()
      • Write2csv()
      • _Old_Paired_data
      • _tabPlotWin
        • _tabPlotWin.__init__()
      • changePlotSettings()
      • onLegendPick()
      • uneqImgShow()
  • 14. GSASIIpwd: Powder calculations
    • 14.1. Summary/Contents
    • 14.2. GSASIIpwd Classes and routines
      • Absorb()
      • AbsorbDerv()
      • CalcPDF()
      • Dict2Values()
      • DoPeakFit()
      • GetAsfMean()
      • GetNumDensity()
      • GetPDFfitAtomVar()
      • GetSeqCell()
      • ISO2PDFfit()
      • LaueFringePeakCalc()
      • LaueSatellite()
      • LorchWeight()
      • MEMupdateReflData()
      • MakePDFfitAtomsFile()
      • MakePDFfitRunFile()
      • MakefullrmcRun()
      • MakefullrmcSupercell()
      • Oblique()
      • PhaseWtSum()
      • Polarization()
      • Ruland()
      • SetBackgroundParms()
      • StackSim()
      • SurfaceRough()
      • SurfaceRoughDerv()
      • TestData()
      • Transmission()
      • UpdatePDFfit()
      • Values2Dict()
      • abeles()
      • autoBkgCalc()
      • calcIncident()
      • cauchy_gen
        • cauchy_gen.pdf()
      • ellipseSize()
      • ellipseSizeDerv()
      • factorize()
      • fcjde_gen
        • fcjde_gen.pdf()
      • findPDFfit()
      • findfullrmc()
      • fullrmcDownload()
      • getBackground()
      • getBackgroundDerv()
      • getEpsVoigt()
      • getFCJVoigt()
      • getFCJVoigt3()
      • getFWHM()
      • getHKLMpeak()
      • getHKLpeak()
      • getHeaderInfo()
      • getPeakProfile()
      • getPeakProfileDerv()
      • getPsVoigt()
      • getWidthsCW()
      • getWidthsED()
      • getWidthsTOF()
      • getdEpsVoigt()
      • getdFCJVoigt3()
      • getdPsVoigt()
      • getgamFW()
      • makeFFTsizeList()
      • makeMEMfile()
      • makePRFfile()
      • norm_gen
        • norm_gen.pdf()
      • peakInstPrmMode
      • setPeakInstPrmMode()
  • 15. GSAS-II Small Angle Scattering
    • 15.1. GSASII small angle calculation module
      • CylinderARFF()
      • CylinderARVol()
      • CylinderDFF()
      • CylinderDVol()
      • CylinderFF()
      • CylinderVol()
      • DiluteSF()
      • G_matrix()
      • GaussCume()
      • GaussDist()
      • HardSpheresSF()
      • IPG()
      • InterPrecipitateSF()
      • LSWCume()
      • LSWDist()
      • LogNormalCume()
      • LogNormalDist()
      • MaxEntException
      • MaxEnt_SB()
      • SchulzZimmCume()
      • SchulzZimmDist()
      • SphereFF()
      • SphereVol()
      • SphericalShellFF()
      • SphericalShellVol()
      • SpheroidFF()
      • SpheroidVol()
      • SquareWellSF()
      • StickyHardSpheresSF()
      • UniDiskFF()
      • UniDiskVol()
      • UniRodARFF()
      • UniRodARVol()
      • UniRodFF()
      • UniRodVol()
      • UniSphereFF()
      • UniSphereVol()
      • UniTubeFF()
      • UniTubeVol()
      • print_arr()
      • print_vec()
    • 15.2. Substances: Define Materials
  • 16. GSASIIscriptable: Scripting Interface
    • 16.1. Summary/Contents
    • 16.2. Installation of GSASIIscriptable
    • 16.3. Application Interface (API) Summary
      • 16.3.1. Overview of Classes
      • 16.3.2. Independent Functions
      • 16.3.3. Class G2Project
      • 16.3.4. Class G2Phase
      • 16.3.5. Class G2PwdrData
      • 16.3.6. Class G2Image
      • 16.3.7. Class G2PDF
      • 16.3.8. Class G2SeqRefRes
      • 16.3.9. Class G2AtomRecord
    • 16.4. Refinement parameters
      • 16.4.1. Project-level Parameter Dict
      • 16.4.2. Refinement recipe
      • 16.4.3. Refinement parameter types
    • 16.5. Specifying Refinement Parameters
      • 16.5.1. Histogram parameters
      • 16.5.2. Phase parameters
      • 16.5.3. Histogram-and-phase parameters
      • 16.5.4. Histogram/Phase objects
    • 16.6. Access to other parameter settings
    • 16.7. Code Examples
      • 16.7.1. Shortcut for Scripting Access
      • 16.7.2. Peak Fitting
      • 16.7.3. Pattern Simulation
      • 16.7.4. Simple Refinement
      • 16.7.5. Sequential Refinement
      • 16.7.6. Image Processing
      • 16.7.7. Image Calibration
      • 16.7.8. Optimized Image Integration
      • 16.7.9. Multicore Image Integration
      • 16.7.10. Histogram Export
      • 16.7.11. Automatic Background
    • 16.8. GSASIIscriptable Command-line Interface
      • 16.8.1. Parameters in JSON files
    • 16.9. API: Complete Documentation
      • G2AtomRecord
        • G2AtomRecord.adp_flag
        • G2AtomRecord.coordinates
        • G2AtomRecord.element
        • G2AtomRecord.label
        • G2AtomRecord.mult
        • G2AtomRecord.occupancy
        • G2AtomRecord.ranId
        • G2AtomRecord.refinement_flags
        • G2AtomRecord.type
        • G2AtomRecord.uiso
      • G2Image
        • G2Image.ControlList
        • G2Image.GeneratePixelMask()
        • G2Image.IntMaskMap()
        • G2Image.IntThetaAzMap()
        • G2Image.Integrate()
        • G2Image.MaskFrameMask()
        • G2Image.MaskThetaMap()
        • G2Image.Recalibrate()
        • G2Image.TestFastPixelMask()
        • G2Image.clearImageCache()
        • G2Image.clearPixelMask()
        • G2Image.findControl()
        • G2Image.getControl()
        • G2Image.getControls()
        • G2Image.getMasks()
        • G2Image.getVary()
        • G2Image.initMasks()
        • G2Image.loadControls()
        • G2Image.loadMasks()
        • G2Image.saveControls()
        • G2Image.setCalibrant()
        • G2Image.setControl()
        • G2Image.setControlFile()
        • G2Image.setControls()
        • G2Image.setMasks()
        • G2Image.setVary()
      • G2ImportException
      • G2ObjectWrapper
      • G2PDF
        • G2PDF.calculate()
        • G2PDF.export()
        • G2PDF.optimize()
        • G2PDF.set_background()
        • G2PDF.set_formula()
      • G2Phase
        • G2Phase.addDistRestraint()
        • G2Phase.add_atom()
        • G2Phase.atom()
        • G2Phase.atoms()
        • G2Phase.clearDistRestraint()
        • G2Phase.clear_HAP_refinements()
        • G2Phase.clear_refinements()
        • G2Phase.composition
        • G2Phase.copyHAPvalues()
        • G2Phase.density
        • G2Phase.export_CIF()
        • G2Phase.getHAPentryList()
        • G2Phase.getHAPentryValue()
        • G2Phase.getHAPvalues()
        • G2Phase.getPhaseEntryList()
        • G2Phase.getPhaseEntryValue()
        • G2Phase.get_cell()
        • G2Phase.get_cell_and_esd()
        • G2Phase.histograms()
        • G2Phase.mu()
        • G2Phase.setDistRestraintWeight()
        • G2Phase.setHAPentryValue()
        • G2Phase.setHAPvalues()
        • G2Phase.setPhaseEntryValue()
        • G2Phase.setSampleProfile()
        • G2Phase.set_HAP_refinements()
        • G2Phase.set_refinements()
      • G2Project
        • G2Project.add_EqnConstr()
        • G2Project.add_EquivConstr()
        • G2Project.add_HoldConstr()
        • G2Project.add_NewVarConstr()
        • G2Project.add_PDF()
        • G2Project.add_constraint_raw()
        • G2Project.add_image()
        • G2Project.add_phase()
        • G2Project.add_powder_histogram()
        • G2Project.add_simulated_powder_histogram()
        • G2Project.clone_powder_histogram()
        • G2Project.copyHistParms()
        • G2Project.copy_PDF()
        • G2Project.do_refinements()
        • G2Project.from_dict_and_names()
        • G2Project.get_Constraints()
        • G2Project.get_Controls()
        • G2Project.get_Covariance()
        • G2Project.get_Frozen()
        • G2Project.get_ParmList()
        • G2Project.get_Variable()
        • G2Project.get_VaryList()
        • G2Project.histogram()
        • G2Project.histograms()
        • G2Project.hold_many()
        • G2Project.image()
        • G2Project.imageMultiDistCalib()
        • G2Project.images()
        • G2Project.iter_refinements()
        • G2Project.link_histogram_phase()
        • G2Project.make_var_obj()
        • G2Project.pdf()
        • G2Project.pdfs()
        • G2Project.phase()
        • G2Project.phases()
        • G2Project.refine()
        • G2Project.reload()
        • G2Project.save()
        • G2Project.seqref()
        • G2Project.set_Controls()
        • G2Project.set_Frozen()
        • G2Project.set_refinement()
        • G2Project.update_ids()
      • G2PwdrData
        • G2PwdrData.Background
        • G2PwdrData.EditSimulated()
        • G2PwdrData.Export()
        • G2PwdrData.Export_peaks()
        • G2PwdrData.InstrumentParameters
        • G2PwdrData.LoadProfile()
        • G2PwdrData.PeakList
        • G2PwdrData.Peaks
        • G2PwdrData.SampleParameters
        • G2PwdrData.SaveProfile()
        • G2PwdrData.add_back_peak()
        • G2PwdrData.add_peak()
        • G2PwdrData.calc_autobkg()
        • G2PwdrData.clear_refinements()
        • G2PwdrData.del_back_peak()
        • G2PwdrData.fit_fixed_points()
        • G2PwdrData.getHistEntryList()
        • G2PwdrData.getHistEntryValue()
        • G2PwdrData.get_wR()
        • G2PwdrData.getdata()
        • G2PwdrData.ref_back_peak()
        • G2PwdrData.refine_peaks()
        • G2PwdrData.reflections()
        • G2PwdrData.residuals
        • G2PwdrData.setHistEntryValue()
        • G2PwdrData.set_background()
        • G2PwdrData.set_peakFlags()
        • G2PwdrData.set_refinements()
        • G2PwdrData.y_calc()
      • G2ScriptException
      • G2SeqRefRes
        • G2SeqRefRes.RefData()
        • G2SeqRefRes.get_Covariance()
        • G2SeqRefRes.get_ParmList()
        • G2SeqRefRes.get_Variable()
        • G2SeqRefRes.get_VaryList()
        • G2SeqRefRes.get_cell_and_esd()
        • G2SeqRefRes.histograms()
      • GenerateReflections()
      • IPyBrowse()
      • LoadDictFromProjFile()
      • LoadG2fil()
      • PreSetup()
      • Readers
      • SaveDictToProjFile()
      • SetDefaultDData()
      • SetPrintLevel()
      • SetupGeneral()
      • add()
      • blkSize
      • calcMaskMap()
      • calcThetaAzimMap()
      • create()
      • dictDive()
      • dump()
      • export()
      • exportersByExtension
      • import_generic()
      • installScriptingShortcut()
      • load_iprms()
      • load_pwd_from_reader()
      • main()
      • make_empty_project()
      • patchControls()
      • refine()
  • 17. GSAS-II Misc Scripts
    • 17.1. testDeriv: Check derivative computation
      • main()
      • testDeriv
    • 17.2. GSASIItestplot: Plotting for testDeriv
      • Plot
      • PlotNotebook
        • PlotNotebook.Show()
    • 17.3. scanCCD: reduce data from scanning CCD
      • main()
      • scanCCD
        • scanCCD.PlotXY()
      • scanCCDmain
        • scanCCDmain.OnInit()
    • 17.4. makeMacApp: Create Mac Applet
      • AppleScript
      • RunPython()
    • 17.5. makeBat: Create GSAS-II Batch File
    • 17.6. makeLinux: Create Linux Shortcuts
    • 17.7. makeTutorial: Make Tutorial Web Page
      • onlineVideos
    • 17.8. makeVarTbl: Make Variables Table
    • 17.9. unit_tests: Self-test Module
      • test_GSASIIlattice()
      • test_GSASIIspc()
    • 17.10. testSytSym: Test Site Symmetry
      • main()
      • testSytSmain
        • testSytSmain.OnInit()
      • testSytSym
    • 17.11. testSSymbols: Test Superspace Group Symbols
      • main()
      • testSSmain
        • testSSmain.OnInit()
      • testSSymbols
  • 18. GSAS-II Web Modules
    • 18.1. SUBGROUPS: Interface Bilbao SUBGROUPS & k-SUBGROUPSMAG web pages
      • GetNonStdSubgroups()
      • GetNonStdSubgroupsmag()
      • parseBilbaoCheckLattice()
      • subBilbaoCheckLattice()
    • 18.2. ISODISTORT: Interface to BYU ISODISTORT web pages
      • GetISODISTORT()
      • GetISODISTORTcif()
  • 19. GSAS-II Import Modules
    • 19.1. Phase Import Routines
      • 19.1.1. Module G2phase: PDB, .EXP & JANA m40,m50
        • EXP_ReaderClass
        • JANA_ReaderClass
        • PDB_ReaderClass
        • PDF_ReaderClass
      • 19.1.2. Module G2phase_GPX: Import phase from GSAS-II project
        • PhaseReaderClass
      • 19.1.3. Module G2phase_CIF: Coordinates from CIF
        • CIFPhaseReader
        • ISODISTORT_shortLbl()
      • 19.1.4. Module G2phase_INS: Import phase from SHELX INS file
        • PhaseReaderClass
      • 19.1.5. Module G2phase_rmc6f: Import phase from RMCProfile
        • PhaseReaderClass
      • 19.1.6. Module G2phase_xyz: read coordinates from an xyz file
        • XYZ_ReaderClass
    • 19.2. Powder Data Import Routines
      • 19.2.1. Module G2pwd_GPX: GSAS-II projects
        • GSAS2_ReaderClass
      • 19.2.2. Module G2pwd_fxye: GSAS data files
        • GSAS_ReaderClass
        • sfloat()
        • sint()
      • 19.2.3. Module G2pwd_xye: Topas & Fit2D data
        • xye_ReaderClass
      • 19.2.4. Module G2pwd_CIF: CIF powder data
        • CIFpwdReader
      • 19.2.5. Module G2pwd_BrukerRAW: Bruker .raw & .brml
        • brml_ReaderClass
        • raw_ReaderClass
      • 19.2.6. Module G2pwd_FP: FullProf .dat data
        • fp_ReaderClass
      • 19.2.7. Module G2pwd_Panalytical: Panalytical .xrdml data
        • Panalytical_ReaderClass
      • 19.2.8. Module G2pwd_csv: Read Excel .csv data
        • csv_ReaderClass
      • 19.2.9. Module G2pwd_rigaku: powder data from a Rigaku .txt file
        • Rigaku_rasReaderClass
        • Rigaku_txtReaderClass
    • 19.3. Single Crystal Data Import Routines
      • 19.3.1. Module G2sfact: simple HKL import
        • ColumnValidator()
        • HKLF_ReaderClass
        • HKLMF_ReaderClass
        • M90_ReaderClass
        • NIST_hb3a_INT_ReaderClass
        • NT_HKLF2_ReaderClass
        • NT_JANA2K_ReaderClass
        • SHELX4_ReaderClass
        • SHELX5_ReaderClass
        • SHELX6_ReaderClass
      • 19.3.2. Module G2sfact_CIF: CIF import
        • CIFhklReader
    • 19.4. Small Angle Scattering Data Import Routines
      • 19.4.1. Module G2sad_xye: read small angle data
        • txt_NeutronReaderClass
        • txt_XRayReaderClass
        • txt_nmNeutronReaderClass
        • txt_nmXRayReaderClass
    • 19.5. Image Import Routines
      • 19.5.1. Module G2img_ADSC: .img image file
        • ADSC_ReaderClass
        • GetImgData()
      • 19.5.2. Module G2img_EDF: .edf image file
        • EDF_ReaderClass
        • GetEdfData()
      • 19.5.3. Module G2img_SumG2: Python pickled image
        • G2_ReaderClass
      • 19.5.4. Module G2img_GE: summed GE image file
        • GE_ReaderClass
        • GEsum_ReaderClass
        • GetGEsumData()
      • 19.5.5. Module G2img_MAR: MAR image files
        • GetMAR345Data()
        • MAR_ReaderClass
      • 19.5.6. Module G2img_Rigaku: .stl image file
        • GetRigaku()
        • Rigaku_ReaderClass
      • 19.5.7. Module G2img_1TIF: Tagged-image File images
        • GetTifData()
        • TIFValidator()
        • TIF_ReaderClass
      • 19.5.8. Module G2img_PILTIF: Std Tagged-image File images
        • TIF_LibraryReader
      • 19.5.9. Module G2img_png: png image file
        • png_ReaderClass
      • 19.5.10. Module G2img_CBF: .cbf cif image file
        • CBF_ReaderClass
        • GetCbfData()
      • 19.5.11. Module G2img_HDF5: summed HDF5 image file
        • HDF5_Reader
      • 19.5.12. Module G2img_SFRM: Brucker .sfrm image file
        • GetSFRMData()
        • SFRM_ReaderClass
    • 19.6. PDF Import Routines
      • 19.6.1. Module G2pdf_gr: read PDF G(R) data
        • txt_FSQReaderClass
        • txt_PDFReaderClass
        • txt_PDFReaderClassG
    • 19.7. Reflectometry Import Routines
      • 19.7.1. Module G2rfd_xye: read reflectometry data
        • txt_NeutronReaderClass
        • txt_XRayReaderClass
        • txt_XRayThetaReaderClass
      • 19.7.2. Module G2rfd_Panalytical: read Panalytical reflectometry data
        • Panalytical_ReaderClass
    • 19.8. Writing an Import Routine
      • 19.8.1. __init__()
      • 19.8.2. Reader()
        • 19.8.2.1. Reader return values
        • 19.8.2.2. Reader support routines
      • 19.8.3. ContentsValidator()
        • 19.8.3.1. ContentsValidator return values
      • 19.8.4. ReInitialize()
  • 20. GSAS-II Export Modules
    • 20.1. Module G2export_examples: Examples
      • 20.1.1. G2export_examples Classes and Routines
        • ExportPhaseText
        • ExportPowderReflText
        • ExportPowderText
        • ExportSingleText
    • 20.2. Module G2export_csv: Spreadsheet export
      • 20.2.1. G2export_csv Classes and Routines
        • ExportMultiPowderCSV
        • ExportPhaseCSV
        • ExportPowderCSV
        • ExportPowderReflCSV
        • ExportREFDCSV
        • ExportSASDCSV
        • ExportSingleCSV
        • ExportStrainCSV
        • WriteList()
    • 20.3. Module G2export_PDB: Macromolecular export
      • 20.3.1. G2export_PDB Classes and Routines
        • ExportPhaseCartXYZ
        • ExportPhasePDB
    • 20.4. Module G2export_image: 2D Image data export
      • 20.4.1. G2export_image Classes and Routines
        • ExportImagePNG
    • 20.5. Module G2export_map: Map export
      • 20.5.1. G2export_map Classes and Routines
        • ExportMapASCII
        • ExportMapCCP4
    • 20.6. Module G2export_shelx: Examples
      • 20.6.1. G2export_shelx Classes and Routines
        • ExportPhaseShelx
    • 20.7. Module G2export_CIF: CIF Exports
      • 20.7.1. G2export_CIF Classes and Routines
        • CIF2dict()
        • CIFdefHelp
        • CIFtemplateSelect
        • EditCIFpanel
        • EditCIFtemplate
        • ExportCIF
        • ExportHKLCIF
        • ExportPhaseCIF
        • ExportProjectCIF
        • ExportPwdrCIF
        • FmtAtomType()
        • HillSortElements()
        • LoadCIFdic()
        • PickleCIFdict()
        • WriteAtomsMM()
        • WriteAtomsMagnetic()
        • WriteAtomsNuclear()
        • WriteCIFitem()
        • WriteComposition()
        • WriteCompositionMM()
        • WriteSeqAtomsNuclear()
        • dict2CIF()
        • getCellwStrain()
        • mkSeqResTable()
        • striphist()
    • 20.8. Module G2export_pwdr: Export powder input files
      • 20.8.1. G2export_pwdr Classes and Routines
        • ExportPowderFXYE
        • ExportPowderXYE
    • 20.9. Module G2export_FIT2D: Fit2D “Chi” export
      • 20.9.1. G2export_FIT2d Classes and Routines
        • ExportPowderCHI
        • ExportPowderQCHI
    • 20.10. Module G2export_JSON: ASCII .gpx Export
      • 20.10.1. G2export_JSON Classes and Routines
        • ExportJSON
        • JsonEncoder
    • 20.11. Module G2export_Bracket: ASCII .gpx Export
      • 20.11.1. G2export_Bracket Classes and Routines
        • Export3col
        • Exportbracket
  • 21. GSAS-II Independent Tools
    • 21.1. GSASIIIntPDFtool: autointegration routines
      • AutoIntFrame
        • AutoIntFrame.ArgGen()
        • AutoIntFrame.OnPause()
        • AutoIntFrame.OnTimerLoop()
        • AutoIntFrame.SetSourceDir()
        • AutoIntFrame.ShowMatchingFiles()
        • AutoIntFrame.StartLoop()
      • LookupFromTable()
      • MapCache
      • ProcessImage()
      • SetupInterpolation()
    • 21.2. G2compare: Tool for project comparison
      • MakeTopWindow
        • MakeTopWindow.LoadPhase()
        • MakeTopWindow.LoadProject()
        • MakeTopWindow.LoadPwdr()
        • MakeTopWindow.SelectGPX()
        • MakeTopWindow.SelectMultGPX()
        • MakeTopWindow.SetModeMenu()
        • MakeTopWindow.getMode()
        • MakeTopWindow.loadFile()
        • MakeTopWindow.onHistFilter()
        • MakeTopWindow.onHistPrinceTest()
        • MakeTopWindow.onLoadGPX()
        • MakeTopWindow.onLoadMultGPX()
        • MakeTopWindow.onLoadWildGPX()
        • MakeTopWindow.onProjFtest()
        • MakeTopWindow.onRefresh()
      • RC2Ftest()
      • RwFtest()
      • main()
  • 22. Indices
    • 22.1. General Index
    • 22.2. Module Index
GSAS-II
  • Overview: module code

All modules for which code is available

  • Absorb
  • G2compare
  • G2export_Bracket
  • G2export_CIF
  • G2export_FIT2D
  • G2export_JSON
  • G2export_PDB
  • G2export_csv
  • G2export_examples
  • G2export_image
  • G2export_map
  • G2export_pwdr
  • G2export_shelx
  • G2img_1TIF
  • G2img_ADSC
  • G2img_CBF
  • G2img_CheMin
  • G2img_EDF
  • G2img_GE
  • G2img_HDF5
  • G2img_MAR
  • G2img_PILTIF
  • G2img_Rigaku
  • G2img_SFRM
  • G2img_SumG2
  • G2pdf_gr
  • G2phase
  • G2phase_CIF
  • G2phase_GPX
  • G2phase_INS
  • G2phase_rmc6f
  • G2phase_xyz
  • G2pwd_BrukerRAW
  • G2pwd_CIF
  • G2pwd_FP
  • G2pwd_GPX
  • G2pwd_Panalytical
  • G2pwd_csv
  • G2pwd_fxye
  • G2pwd_rigaku
  • G2pwd_xye
  • G2rfd_Panalytical
  • G2rfd_xye
  • G2sad_xye
  • G2sfact
  • G2sfact_CIF
  • GSASII
  • GSASIIElem
  • GSASIIElemGUI
  • GSASIIIO
  • GSASIIIntPDFtool
  • GSASIIconstrGUI
  • GSASIIctrlGUI
  • GSASIIdataGUI
  • GSASIIddataGUI
  • GSASIIexprGUI
  • GSASIIfiles
  • GSASIIfpaGUI
  • GSASIIimage
  • GSASIIimgGUI
  • GSASIIindex
  • GSASIIlattice
  • GSASIIlog
  • GSASIImapvars
  • GSASIImath
  • GSASIImpsubs
  • GSASIIobj
  • GSASIIpath
  • GSASIIphsGUI
  • GSASIIplot
  • GSASIIpwd
  • GSASIIpwdGUI
  • GSASIIrestrGUI
  • GSASIIsasd
  • GSASIIscriptable
  • GSASIIseqGUI
  • GSASIIspc
  • GSASIIstrIO
  • GSASIIstrMain
  • GSASIIstrMath
  • GSASIItestplot
  • ISODISTORT
  • ReadMarCCDFrame
  • SUBGROUPS
  • fprime
  • gltext
  • makeMacApp
  • nistlat
  • scanCCD
  • testDeriv
  • testSSymbols
  • testSytSym
  • unit_tests

© Copyright 2013-2023, R.B. Von Dreele and B.H. Toby for Argonne National Laboratory. Revision 5641MP.

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