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Tools for X-ray diffraction evaluation of single crystals
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sstoupin/dtxrd
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python-dtxrd - Tools for X-ray diffraction evaluation of single crystals ------------------------------------------------------------------------ dtxrd - calculates reflectivity and transmissivity for a given Bragg reflection of various single crystals (temperature-dependent models): C(diamond), Si, Ge, Al2O3(sapphire), etc. throughput - calculates throughput and rocking curves for a multi-crystal configuration described by an input file with a special format. rctopo - calculates rocking curve topographs (e.g., maps of the rocking curve's width, peak position, etc.) using a sequence of diffraction images collected at different angles on the rocking curve of a crystal. rctopo-fast - a version of rctopo optimized for processing of large datasets. seehdf - plots maps of 2D data contained in hdf4 and hdf5 files. rcpeak - a tool to plot and perform fitting and analysis of a rocking curve data given by a multi-column ASCII file. specscan - extracts a particular scan from a SPEC file. flux - calculates x-ray flux from a scaler count rate and a detector response. crl - compound reflractive lens calculator. REQUIREMENTS ------------ * python-setuptools * python-numpy * python-scipy * python-matplotlib * python-h5py * python-pil * hdf (hdf4, includes *hdp* command-line tool), optional (not required) INSTALLATION ------------ It is recommended to install the dependencies prior to installation of python-dtxrd The Python Distutils system provides packaging, compilation, and installation for python-dtxrd To install, execute the following command as superuser: > python setup.py install [OPTIONS] For more information about installation options, execute the following command: > python setup.py install --help For information about other Distutils commands, execute the following command: > python setup.py --help-commands Example (does not require super user priveleges): > python setup.py install --user .local/bin can be included to PATH for convenience e.g., inlcude the following line in .bashrc export PATH=$PATH:$HOME/.local/bin AVAILABILITY ------------ * http://python-dtxrd.readthedocs.org * https://github.com/sstoupin/dtxrd AUTHOR ------ python-dtxrd was written by Stanislav Stoupin <sstoupin@gmail.com> Copyright (c) 2014, UChicago Argonne, LLC All Rights Reserved XSD, Advanced Photon Source, Argonne National Laboratory OPEN SOURCE LICENSE Redistribution and use in source and binary forms, with or without modification, are permitted provided that the following conditions are met: 1. Redistributions of source code must retain the above copyright notice, this list of conditions and the following disclaimer. Software changes, modifications, or derivative works, should be noted with comments and the author and organization's name. 2. 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. 3. Neither the names of UChicago Argonne, LLC or the Department of Energy nor the names of its contributors may be used to endorse or promote products derived from this software without specific prior written permission. 4. The software and the end-user documentation included with the redistribution, if any, must include the following acknowledgment: "This product includes software produced by UChicago Argonne, LLC under Contract No. DE-AC02-06CH11357 with the Department of Energy." **************************************************************************** DISCLAIMER THE SOFTWARE IS SUPPLIED "AS IS" WITHOUT WARRANTY OF ANY KIND. Neither the United States GOVERNMENT, nor the United States Department of Energy, NOR uchicago argonne, LLC, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, data, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. ****************************************************************************
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