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
This program is part of the DiffPy and DANSE open-source projects at Columbia University and is available subject to the conditions and terms laid out below.
Copyright © 2008-2011, Trustees of Columbia University in the City of New York, all rights reserved.
For more information please visit the diffpy web-page at http://diffpy.org or email Prof. Simon Billinge at sb2896@columbia.edu.
Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met:
- Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer.
- Redistributions in binary form must reproduce the above copyright notice, this list of conditions and the following disclaimer in the documentation and/or other materials provided with the distribution.
- Neither the names of COLUMBIA UNIVERSITY, MICHIGAN STATE UNIVERSITY nor the names of their contributors may be used to endorse or promote products derived from this software without specific prior written permission.
THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS “AS IS” AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
Xiaohao Yang
The diffpy.srxplanar requires Python 2.6 or 2.7 and the following software:
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.
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 and CONTRIBUTION
diffpy.srxplanar is an open-source software developed at the Columbia University The diffpy.srxplanar sources are hosted at
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
Footnotes
| [1] | Python 3 is not supported yet. |