Example Notebooks

This directory contains Jupyter notebooks that demonstrate how to use the Glassure API in your own scripts and programs.

• Effect of S(Q) extrapolation to zero on resulting PDFs
  • 1. Effect on S(Q)
  • 2. Effect on F(r) and g(r)
• Effect of Q\(_{min}\) of S(Q) on the resulting F(r) and g(r)
  • 1. Working with a toy S(q)
  • 2. Let’s do the same with real data
  • 2.1 Extrapolation prior to Optimization
    • 2.1.1 Original data
    • 2.1.2 Effect to F(r) and g(r)
  • 2.2 Optimization prior to Extrapolation
    • 2.2.1 Original Data
    • 2.2.2 Changes in F(r) and g(r)
  • 2.3 Cutting the original data at different minimum q
    • 2.3.1 Using linear Extrapolation
    • 2.3.2 Using polynomial extrapolation
    • 2.3.2 Set S(Q) to zero or s0 below Q\(_{min}\)
  • 3. Conclusion