pygix 2022.11.14

Description:

pygix 2022.11.14

pygix
Pygix is a generic python library for performing reduction of
grazing-incidence and fiber X-ray scattering data.

The pygix library has been developed to reduce 2D X-ray scattering data for
experiments recorded in grazing-incidence (GISAXS, GIWAXS, GIXRD, GIXD,
collectively referred to as GIXS) and fiber diffraction modes. Both 2D image
projections and 1D line profile extraction are handled. The package is designed
to be as generic as possible, i.e., it makes no assumptions about the data
(passed by the user as numpy arrays) and all detector and geometric corrections
can be handled at the point of data reduction.

Please refer to the wiki for more
detailed discussion!

Example usage:
import pygix
import pygix.plotting as pp

pg = pygix.Transform()
pg.load('detector_calibration.poni')
pg.indcident_angle = 0.2

# transform image into reciprocal space:
i, qxy, qz = pg.transform_reciprocal(data)

pp.implot(i, qxy, qz, xlim=(-5, 28), ylim=(-.5, 32), mode='rsm')

Which will generate the following image:

Pygix uses the fiber transformation originally described by Stribeck [1] (based
on earlier work by Polayni [2]), which has recently been formulated for the case
of grazing-incidence scattering [3]. The reciprocal space transformation for the
fiber and grazing-incidence X-ray scattering are thus equivalent, meaning this
python library is generic for both classes of experiments.
Pygix is heavily based on the pyFAI library for conventional 2D transmission
azimuthal integration [4].
References

Stribeck and Nöchel, J. Appl. Crystallogr., (2009), 42, 295–301
Polanyi, Z. Physik, (1921), 7, 149-180
Lilliu and Dane, arXiv:1511.06224 [cond-mat.soft]
Ashiotis, Deschildre, Nawaz, Wright, Karkoulis,
Picca and Kieffer, J. Appl. Crystallogr., 2015, 48, 510–519
(https://github.com/silx-kit/pyFAI/)

Installation
In the near future, pygix will be available via PIP. In the meantime, download
the source code in .zip format from the github
repository and unpack it.
unzip pygix-master.zip

Go to the pygix-master directory, build and install the package:
cd pygix-master
python setup.py build install

Credits

pygix was written by Thomas Dane with contributions and assistance from Jerome Kieffer.
The derivation of the reciprocal space transformation was done in collaboration with Samuele Lilliu.
pygix relies heavily on the pyFAI library.