NX5 Duct Tape

nx5d a.k.a. nx5duct a.k.a. NX5 Duct Tape is a collection of tools that factilitate rapid generation and hacking of HDF5/Nexus files. It's used to transform experimental data of specific origins (e.g. Uni Potsdam's UDKM Group's) into a Nexus compliant format.

Treat this as "work in progress", and, it being Free Software, if you break it you get to keep both halves ¯\_(ツ)_/¯

Contents:

• Dependencies
• Installation
• Functionality Overview
• The nx module
• The DataSource module
• XRD helpers

Dependencies

nx5d uses the following linraries:

• fabio, the SilX Fable I/O library
• h5py, the Python HDF5 library
• numpy, the Python numerical framework which hopefully needs no introduction ;-)
• scipy, a Python framework for scientific data analysis
• xrayutilities, Dominik Kriegner's library for processing and simulating X-ray diffraction data and geometries
• xarray, framework for N-dimensional labeled arrays
• ...possibly a few others, too...

Installation

Work in progress. Should work in PyPI soon (pip install nx5d or so).

Functionality Overview

Note that the nx5d package is in very early stages of development. Project scope is shifting, having essentially started off as a repository of "things I need to do XRD data analysis" and currently aiming to reach more specific, general-purpose tool character.

As of now, there are several distinct components to nx5d:

• The nx module: provides synthetisation of "NX5-Files" (Nexus packaged in HDF5) from the former ESRF Logfile beamline format. This format is obsolete as of 2022, but may be needed for legacy data.

• The DataSource module: provides high-level I/O functionality for x-ray diffraction data (XRD) based on the xrayutilities.

• The XRD helpers: distinct bits and snippets of algorithms to help with numerical data analysis, specifically with XRD data as provided by the DataSource module

Caveats & Bugs

Not enough code to call them "bugs" yet. We call them "gaping, deep, dark holes." :-p