Pyanpha User Guide

Pyanpha User Guide

Multiwavelength Anomalous Surface X-Ray Diffraction

written by
S.A. Pauli and S.J. Leake,
Swiss Light Source,
Paul Scherrer Institut,
CH-5232 Villigen

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The most recent version of the program can be downloaded below. The User Guide is available as a pdf (manual.pdf) in the zip-file of the program or by pressing here. This wiki is a transcript of the pdf-file.

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Contents

1 Introduction

2 Tutorial
2.1 Required Input
2.2 Get the phases
2.3 From phases to electron density

3 The Menu System
3.1 Config file menu
3.2 Atoms menu
3.3 Simulating Data
3.4 Modifying Data
3.5 Calculating phases
3.6 Calculating ED
3.7 Grid search
3.8 Plot ED or structure factor
3.9 Extracting atomic positions

4 Program Source
4.1 Types of files
4.2 Config file
4.3 Atom-file
4.4 Databases