diffpy.srxplanar

diffpy.srxplanar package provides 2D diffraction image integration using non splitting pixel algorithm. And it can estimate and propagate statistic uncertainty of raw counts and integrated intensity. If you are using this software. If you use this program to do productive scientific research that leads to publication, we kindly ask that you acknowledge use of the program by citing the following paper in your publication:

Xiaohao Yang, Pavol Juhas, Simon J. L. Billinge, On the estimation of statistical uncertainties on powder diffraction and small angle scattering data from 2-D x-ray detectors, arXiv:1309.3614

To learn more about diffpy.srxplanar library, see the examples directory included in this distribution or the API documentation at

http://diffpy.github.io/diffpy.srxplanar/

REQUIREMENTS

The diffpy.srxplanar requires Python 2.6 or 2.7 and the following software:

• setuptools >=0.61(https://pypi.python.org/pypi/setuptools)
• numpy >=1.60(http://www.numpy.org/)
• scipy >=1.10(www.scipy.org/)
• FabIO >=0.80(http://sourceforge.net/projects/fable/files/fabio/)

If your python version < 2.7 (these two packages are included in 2.7 but not in 2.6)

• ordereddict https://pypi.python.org/pypi/ordereddict
• argparse https://pypi.python.org/pypi/argparse

On Ubuntu Linux the part of required software can be easily installed using the system package manager:

sudo aptitude install \
    python-setuptools python-numpy python-scipy

For Mac OS X machine with the MacPorts package manager one could do:

sudo port install \
    python27 py27-setuptools py27-numpy py27-scipy

When installing with MacPorts, make sure the MacPorts bin directory is the first in the system PATH and that python27 is selected as the default Python version in MacPorts:

sudo port select --set python python27

For other Linux distributions use their respective package manager; note the packages may have slightly different names. diffpy.srxplanar should work on other Unix-like operating systems as well. Please, search the web for instructions how to install external dependencies on your particular system.

For other packages, please go to the webpage list above to download and install.

INSTALLATION

To install the diffpy.srxplanar package:

python setup.py install

By default the files are installed in the system directories, which are usually only writeable by the root. See the usage info "./setup.py install --help" for options to install as a normal user under different location. Note that installation to non-standard directories may require adjustments to the PATH and PYTHONPATH environment variables.

DEVELOPMENT

diffpy.srxplanar is an open-source software developed at the Columbia University The diffpy.srxplanar sources are hosted at

https://github.com/diffpy/diffpy.srxplanar

Feel free to fork the project and contribute. To install diffpy.srxplanar in a development mode, where the sources are directly used by Python rather than copied to a system directory, use:

python setup.py develop --user

CONTACTS

For more information on diffpy.srxplanar please visit the project web-page:

http://www.diffpy.org/

or email Prof. Simon Billinge at sb2896@columbia.edu