File: guinier.rst

package info (click to toggle)
freesas 2026.2-1
  • links: PTS, VCS
  • area: main
  • in suites: sid
  • size: 2,348 kB
  • sloc: python: 8,381; sh: 297; makefile: 125; ansic: 10
file content (21 lines) | stat: -rw-r--r-- 880 bytes parent folder | download | duplicates (3)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
Guinier fit
===========

André Guinier proved a small angle scattering curve can be approximated to
$$
I = I_0 exp(-q²Rg²/3)
$$
at low $q$, where Rg is the radius of gyration of the scatterer.

The difficult part is to be able to find the Guinier-region, i.e. where this approximation is valid.
FreeSAS implement 3 ways of selecting this region:

 - autogpa: Guinier peak analysis by Christopher D. Putnam
   J. Appl. Cryst. (2016). 49, 1412–1419
   Ti fits sqrt(q²Rg²)*exp(-q²Rg²/3)*I0/Rg to the curve I*q = f(q²)
   The Guinier region goes arbitrary from 0.5 to 1.3 q·Rg
 - autorg: Heavily inspired from Jesse Hopkins' BioXTAS RAW
   Journal of applied crystallography vol. 50,Pt 5 1545-1553.
 - auto-guinier: home brewed version: the main difference is that
   one does not search for the "best region" but rather focuses on
   the most likely start and end-points.