relax
Version 5.1.0
Molecular dynamics by
NMR data analysis
June 8, 2024
Copyright © 2001-2024 the relax development team
Permission is granted to copy, distribute and/or modify this document under the terms of the GNU General Public License (GPL), Version 3 or any later version published by the Free Software Foundation.
The Oxygen Icons used herein are licensed under the terms of the GNU Lesser General Public License (GPL), Version 3 or any later version published by the Free Software Foundation.
- Contents
- List of Figures
- List of Tables
- The basics
- The specific analyses
- Power users
- Advanced topics
- Optimisation
- Optimisation of relaxation data - values, gradients, and Hessians
- Introduction to the mathematics behind the optimisation of relaxation data
- The four parameter combinations
- Construction of the values, gradients, and Hessians
- The value, gradient, and Hessian dependency chain
- The χ2 value, gradient, and Hessian
- The
Ri(θ) values, gradients, and Hessians
-
Ri'(θ) values, gradients, and Hessians
- Optimisation equations for the model-free analysis
- Ellipsoidal diffusion tensor
- Spheroidal diffusion tensor
- Spherical diffusion tensor
- Ellipsoidal dot product derivatives
- Spheroidal dot product derivatives
- The frame order models
- Reference
- Bibliography
- Index
- About this document ...
The relax user manual (PDF), created 2024-06-08.
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