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A python package for powder diffraction

Project description



RadialX is a python package for working with x-ray
powder diffraction data and for simulating
x-ray powder diffraction patterns from models.

The most complete documentation is available at

Fully Documented Functionalities

At present, the only 100% documented functionalities of RadialX are

1. The simulation of powder diffraction patterns
from PDB files using the utility called **powderx**.

2. Displaying of diffraction image header information
using the utility called **headerx**.

Detailed usage for powderx_ and headerx_ are below.

Less Documentd Functionalities

Other, less documented, functionalities correspond to "modes" of the
utility called **profilex**:

- *centering* mode: Finding the centers of powder diffraction images
in adxv_ binary format.
- *averaging* mode: Radial integration of one or
more experimental powder diffraction patterns in adxv_ binary format.
- *averaging* mode: Scaling of several powder experimental or simulated
diffraction patterns to a single experimental or simulated pattern.
- *difference* mode: Calculating the difference of two scaled
radially integrated experimental powder diffraction patterns.

Although **profilex** is fully functional and heavily tested, its
user interface (i.e. config file format, etc.) is very likely to
change. For example, the modes will probably be split into different
different utilities and several config file parameters will
probably be renamed. The **profilex** utility is fairly well documented by
comments in the config files that populate the ``test/test-profilex``
directory of the source distribution, as explained below.

It is hoped that the entire RadialX package will be fully
and heavily documented soon.

.. _adxv:

Home Page & Repository

Home Page:



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