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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

Documented Functionalities

At present, the only documented functionalities of RadialX are

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

If you wish to create simulated powder diffraction
patterns, please see the documentation at

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

Undocumented Functionalities

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

- *centering*: Finding the centers of powder diffraction images
in adxv_ binary format.
- *averaging*: Radial integration (not averaging!) of one or
more experimental powder diffraction patterns in adxv_ binary format.
- *averaging*: Scaling of several powder experimental or simulated
diffraction patterns to a single experimental or simulated pattern.
- *difference*: 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.

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

.. _adxv:

Home Page & Repository

Home Page:



Project details

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