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GSAS-II Developer’s Documentation
The documentation here is intended for those wishing to extend the
capabilities within the GSAS-II framework, for scientists/students
working to understand how
GSAS-II works, or for people wishing to develop scripting applications
using the GSAS-II Python API (module GSASIIscriptable). Note that most
data structures used in GSAS-II are defined in module GSASIIobj.
For information on downloading/installing GSAS-II, please see the GSAS-II home page: https://advancedphotonsource.github.io/GSAS-II-tutorials. To learn how to use GSAS-II, please see the tutorials, which can be accessed from the GSAS-II Help menu or from this web page: https://advancedphotonsource.github.io/GSAS-II-tutorials/tutorials.html.
For scripting use of GSAS-II, see GSASIIscriptable: Scripting Interface.
Invention Information: Argonne has assigned Software Invention #SF-22-147 to GSAS-II.
Documentation Version:
This documentation was prepared from GSAS-II version 055adb dated 03-Jun-2026 14:05 with the most recent tag as version #5834
Contents:
- 1. GSAS-II Execution Environment
- 2. Version numbering used in GSAS-II
- 3. GSASII Data object & variable organization
- 4. GSASII: GSAS-II GUI
- 5. GSASIIobj: Data objects & Docs
- 6. GSAS-II Utility Modules
- 6.1. GSASIIpath: locations & updates
- 6.2. config_example.py: Configuration options
- 6.3. GSASIIElem: functions for element types
- 6.4. GSASIIlattice: Unit Cell Computations
- 6.5. GSASIIspc: Space Group Computations
- 6.6. GSASIIfiles: data (non-GUI) I/O routines
- 6.7. GSASIImpsubs: routines used in multiprocessing
- 6.8. Module nistlat: NIST*LATTICE cell computations
- 6.9. ReadMarCCDFrame: Read Mar Files
- 6.10. G2shapes: Compute SAS particle shapes
- 6.11. tutorialIndex: index to GSAS-II tutorials
- 6.12. k_vector_search: k-vector utilities
- 6.13. pathHacking utilities
- 7. GSAS-II GUI Support Modules
- 8. GSAS-II GUI Components
- 8.1. GSASIIdataGUI: Main GUI for GSAS-II
- 8.2. GSASIIseqGUI: Sequential Results GUI
- 8.3. Phase GUI files
- 8.4. GSASIIddataGUI: Phase Diffraction Data GUI
- 8.5. GSASIIElemGUI: GUI to select and delete element lists
- 8.6. GSASIIconstrGUI: Constraint GUI routines
- 8.7. GSASIIrestrGUI: Restraint GUI routines
- 8.8. GSASIIimgGUI: Image GUI
- 8.9. GSASIIpwdGUI: Powder Pattern GUI routines
- 8.10. GSASIIexprGUI: Expression Handling
- 8.11. GSASIIfpaGUI: Fundamental Parameters Routines
- 8.12. fprime: compute f’ & f”
- 8.13. Absorb: Compute X-ray Absorption
- 8.14. PlotXNFF: Show Form Factors
- 9. GSAS-II Data Storage Modules
- 10. GSAS-II Structure Submodules
- 11. GSASIImapvars: Param Constraints
- 12. GSASIIimage: Image calc module
- 13. GSASIImath: computation module
- 14. GSASIIindex: Cell Indexing Module
- 15. Visualization routines
- 16. GSASIIpwd: Powder calculations
- 17. GSAS-II Small Angle Scattering
- 18. GSASIIscriptable: Scripting Interface
- 18.1. Summary/Contents
- 18.2. Installation of GSASIIscriptable
- 18.3. Accessing the GSASIIscriptable Module
- 18.4. Application Interface (API) Summary
- 18.5. Refinement parameters
- 18.6. Specifying Refinement Parameters
- 18.7. Access to other parameter settings
- 18.8. Code Examples
- 18.9. GSASIIscriptable Command-line Interface
- 18.10. API: Complete Documentation
- 19. GSAS-II Misc Scripts
- 19.1. testDeriv: Check derivative computation
- 19.2. GSASIItestplot: Plotting for testDeriv
- 19.3. scanCCD: reduce data from scanning CCD
- 19.4. makeMacApp: Create MacOS Applet
- 19.5. makeBat: Create GSAS-II Batch File
- 19.6. makeLinux: Create Linux Shortcuts
- 19.7. makeVarTbl: Make Table of Variable Names
- 19.8. testSytSym: Test Site Symmetry
- 19.9. testSSymbols: Test Superspace Group Symbols
- 19.10. Self-test Modules
- 19.11. Other scripts
- 20. GSAS-II Web Modules
- 21. GSAS-II Importer Modules
- 21.1. Writing an Importer Routine
- 21.2. Phase Importer Routines
- 21.3. Powder Data Importer Routines
- 21.4. Single Crystal Data Importer Routines
- 21.5. Small Angle Scattering Data Importer Routines
- 21.6. Image Importer Routines
- 21.7. Pair Distribution Function (PDF) Importer Routines
- 21.8. Reflectometry Importer Routines
- 22. GSAS-II Export Modules
- 23. GSAS-II Independent Tools
- 24. Indices