Diffcalc Manual

Contents:

• Introduction
• Quick-start inside OpenGda
  • Install
  • Start diffcalc
• Quick-Start outside OpenGDA
  • Setup environment
  • Start standalone
  • Start with minigda
• Diffcalc User Manual
  • Introduction
  • Overview
    • Theory
  • Getting Help
  • Diffcalc’s Scannables
  • Crystal orientation
    • Starting a UB calculation
    • Specifying Sigma and Tau for surface diffraction experiments
    • Managing reflections
    • Calculating a UB matrix
    • Manually setting U and UB
  • Moving in hkl space
    • Modes
    • Mode parameters
    • Sectors
    • The hkl scannable
    • The diffractometer scannable (sixc)
  • Scanning in hkl space
    • Fixed hkl scans
    • Scanning hkl
    • Multidimension scans
  • Thanks

Project Files & Directories

diffcalc

The project source directory, installed as a Python package.

docs

This project documentation directory. The documentation is written in reStructuredText and can be compiled into html and pdf using Python’s Sphinx.

docs/ref

Includes pdfs of relevant papers.

tests

Unit tests. Not required to use the software, but very useful if you’re planning to modify it.

example

Example startup scripts.

models

Vrml models of diffractometers (not tied into diffcalc or OpenGda yet).

Indices and tables

• Index
• Module Index
• Search Page