Metadata-Version: 1.1
Name: xanespy
Version: 0.3.3
Summary: Tools for analyzing X-ray absorbance spectroscopy data
Home-page: https://github.com/canismarko/xanespy
Author: Mark Wolfman
Author-email: canismarko@gmail.com
License: UNKNOWN
Description-Content-Type: text/x-rst
Description: Xanespy
        =======
        
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        Xanespy is a library for analyzing X-ray absorbance spectroscopy data
        for materials science, chemistry and similar fields. The major focus
        is on X-ray microscopy frames collected at multiple energies and over
        multiple timesteps. However, a design goal is for most (if not all) of
        the calculation routines to be applicable to bulk XAS data as well.
        
        
        Motivation & Features
        ---------------------
        
        - Importing and analysis of transmission X-ray microscopy framesets
        - Analysis of X-ray spectroscopy data (K-edge XANES and L-edge)
        - Efficient analysis of large operando datasets
        
        
        Installation
        ------------
        
        Xanespy can be installed from the **python package index (PyPI) using pip**
        
        .. code:: bash
        
           $ pip install xanespy
        
        
        Usage
        -----
        
        Each beamline generally has its own importer in the
        `xanespy.importers` module, which will process the data and create an
        HDF5 file ready for the rest of xanespy to use
        
        .. code:: python
        
            import xanespy
            
            # Example for importing from SSRL 6-2c
            xanespy.import_ssrl_frameset('<data_dir>',
                                         hdf_filename='imported_data.h5')
            
            # Load a pre-defined XAS edge or create your own subclass xanespy.Edge
            edge = xanespy.k_edges['Ni_NCA']
            # Now load the newly created HDF5 file and the X-ray absorbance edge
            fs = xanespy.XanesFrameset(filename='imported_data.h5', edge=edge)
            
            # Perform automatic frame alignment
            fs.align_frames(passes=5)
            # Fit the absorbance spectra and extract the edge position (SLOW!)
            fs.fit_spectra()
            
            # Inspect the result with the built-in Qt5 GUI
            fs.qt_viewer()
        
        
        Beamlines
        ---------
        
        We currently have importers for data from the following beamlines. If
        you would like support a beamline that is not listed and are willing
        to share some test data publicly, please `open an
        issue`_.
        
        .. _open an issue: https://github.com/m3wolf/xanespy/issues
        
        - 32-ID-C - Advanced Photon Source
        - 8-BM-B - Advanced Photon Source
        - 6-2c - Stanford Synchrotron Radiation Lightsource
        - 5.3.2.1 - Advanced Light Source (ptychography)
        
        
        Ptychography
        ------------
        
        Xanespy has support for ptychography data from ALS beamline
        5.3.2.1. Use ``xanespy.import_nanosurveyor_frameset`` to import the .cxi
        files and ``xanespy.PtychoFrameset`` to load the data.
        
        
        License
        -------
        
        This project is released under the `GNU General Public License version 3`_.
        
        This program is distributed in the hope that it will be useful, but
        WITHOUT ANY WARRANTY; without even the implied warranty of
        MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
        General Public License for more details.
        
        .. _GNU General Public License version 3: https://www.gnu.org/licenses/gpl-3.0.en.html
        
        
        Acknowledgement
        ---------------
        
        This work was supported as part of the NorthEast Center for Chemical
        Energy Storage (`NECCES`_), an Energy Frontier Research Center funded
        by the U.S. Department of Energy, Office of Science, Basic Energy
        Sciences under Award # DE-SC0012583.
        
        .. _NECCES: http://binghamton.edu/necces/
        
Keywords: XANES X-ray microscopy operando
Platform: UNKNOWN
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Science/Research
Classifier: License :: OSI Approved :: GNU General Public License v3 or later (GPLv3+)
Classifier: Natural Language :: English
Classifier: Operating System :: POSIX :: Linux
Classifier: Programming Language :: Python :: 3.5
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Visualization
