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        "author": "Thomas N. Lawson",
        "author_email": "t.n.lawson@bham.ac.uk",
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        "classifiers": [
            "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
            "Operating System :: OS Independent",
            "Programming Language :: Python :: 2",
            "Programming Language :: Python :: 2.7",
            "Programming Language :: Python :: 3",
            "Programming Language :: Python :: 3.6",
            "Topic :: Scientific/Engineering :: Bio-Informatics",
            "Topic :: Scientific/Engineering :: Chemistry",
            "Topic :: Utilities"
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        "description": "msp2db\n======\n\n|Version| |Py versions| |Git| |Build Status (Travis)| |Build Status (AppVeyor)| |License| |RTD doc| |codecov|\n\nPython package to create an SQLite database from a collection of MSP mass spectromertry spectra files. Currently works with MSP files formated as  `MassBank records <https://github.com/MassBank/MassBank-data>`__\nor as  `MoNA records <http://mona.fiehnlab.ucdavis.edu/downloads>`__.\n\nThe resulting SQLite database can be used for spectral matching with    `msPurity Bioconductor R package <https://bioconductor.org/packages/release/bioc/html/msPurity.html>`__, see `vigenette. <https://bioconductor.org/packages/release/bioc/vignettes/msPurity/inst/doc/msPurity-spectral-matching-vignette.html>`__\n\n\n\nInstallation\n------------\n::\n\n    $ pip install .\n\nCommand line\n------------\n::\n\n    $ msp2db --msp_pth [msp file or directory of msp files] --source [name of source of msp e.g. massbank] --out_pth [out dir]\n    $ msp2db --help\n\n    usage: PROG [-h] -m MSP_PTH -s SOURCE [-o OUT_PTH] [-t TYPE] [-d] [-l MSLEVEL]\n            [-c CHUNK] [-x SCHEMA]\n\n    Convert msp to SQLite or MySQL database\n\n    optional arguments:\n        -h, --help            show this help message and exit\n        -m MSP_PTH, --msp_pth MSP_PTH\n                                path to the MSP file (or directory of msp files)\n        -s SOURCE, --source SOURCE\n                                Name of data source (e.g. MassBank, LipidBlast)\n        -o OUT_PTH, --out_pth OUT_PTH\n                                file path for SQLite database\n        -t TYPE, --db_type TYPE\n                                database type [mysql, sqlite]\n        -d, --delete_tables   delete tables\n        -l MSLEVEL, --mslevel MSLEVEL\n                                ms level of fragmentation if not detailed in msp file\n        -c CHUNK, --chunk CHUNK\n                                Chunks of spectra to parse data (useful to control\n                                memory usage)\n        -x SCHEMA, --schema SCHEMA\n                                Type of schema used (by default is \"mona\" msp style\n                                but can use \"massbank\" style)\n\n    --------------\n\nAPI\n------------\n.. code-block:: python\n\n    db_pth = 'spectral_library_07112018v1.db'\n    create_db(file_pth=db_pth, db_type='sqlite', db_name='spectra')\n    libdata = LibraryData(msp_pth='MoNA-export-FAHFA.msp',\n                      db_pth=db_pth,\n                      db_type='sqlite',\n                      d_form=None,\n                      schema='mona',\n                      source='fahfa',\n                      mslevel=None,\n                      chunk=200)\n\n\n\nDevelopers & Contributors\n-------------------------\nTom Lawson: t.n.lawson@bham.ac.uk\n\nLicense\n-------\nReleased under the GNU General Public License v3.0 (see `LICENSE file <https://github.com/computational-metabolomics/msp2db/blob/master/LICENSE>`_)\n\n\n.. |Build Status (Travis)| image:: https://img.shields.io/travis/computational-metabolomics/msp2db.svg?style=flat&maxAge=3600&label=Travis-CI\n   :target: https://travis-ci.org/computational-metabolomics/msp2db\n\n.. |Py versions| image:: https://img.shields.io/pypi/pyversions/msp2db.svg?style=flat&maxAge=3600\n   :target: https://pypi.python.org/pypi/msp2db/\n\n.. |Build Status (AppVeyor)| image:: https://img.shields.io/appveyor/ci/Tomnl/msp2db.svg?style=flat&maxAge=3600&label=AppVeyor\n   :target: https://ci.appveyor.com/project/Tomnl/msp2db\n\n.. |Version| image:: https://img.shields.io/pypi/v/msp2db.svg?style=flat&maxAge=3600\n   :target: https://pypi.python.org/pypi/msp2db/\n\n.. |Git| image:: https://img.shields.io/badge/repository-GitHub-blue.svg?style=flat&maxAge=3600\n   :target: https://github.com/ISA-tools/msp2db\n\n\n.. |License| image:: https://img.shields.io/badge/License-GPL%20v3-blue.svg\n   :target: https://www.gnu.org/licenses/gpl-3.0.html\n\n.. |RTD doc| image:: https://img.shields.io/readthedocs/msp2db.svg?style=flat&maxAge=3600\n   :target: https://msp2db.readthedocs.io/en/latest/\n\n.. |codecov| image:: https://codecov.io/gh/computational-metabolomics/msp2db/branch/master/graph/badge.svg\n  :target: https://codecov.io/gh/computational-metabolomics/msp2db\n\n\n\n\n\n",
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