Metadata-Version: 2.1
Name: ixdat
Version: 0.1.9
Summary: The in-situ experimental data tool
Home-page: https://github.com/ixdat/ixdat
Author: Soren B. Scott, Kevin Krempl, Kenneth Nielsen
Author-email: scott.soren@gmail.com
License: MIT
Description: .. figure:: docs/source/figures/logo.svg
            :width: 200
        
        =============================================
        ``ixdat``: The In-situ Experimental Data Tool
        =============================================
        
        With ``ixdat``, you can import, combine, and export complex experimental datasets
        as simply as::
        
            ec = Measurement.read_set("awesome_EC_data", reader="biologic")
            ec.plot_measurement()
        
            ms = Measurement.read("2021-03-30 16_59_35 MS data.tsv", reader="zilien")
            ms.plot_measurement()
        
            ecms = ec + ms
            ecms.plot_measurement()
        
            ecms.export("my_combined_data.csv")
        
        Output:
        
        .. figure:: docs/source/figures/ixdat_example_figures.png
            :width: 700
        
            In-situ experimental data made easy
        
        Or rather, than exporting, you can take advantage of ``ixdat``'s powerful analysis
        tools and database backends to be a one-stop tool from messy raw data to public
        repository accompanying your breakthrough publication and advancing our field.
        
        About
        -----
        
        ``ixdat`` provides a powerful **object-oriented** interface to experimental data, especially in-situ experimental data for which it is of interest to combine data obtained simultaneously from multiple techniques.
        
        Documentation is at https://ixdat.readthedocs.io
        
        In addition to a **pluggable** parser interface for importing your data format, ``ixdat`` it also includes
        pluggable exporters and plotters, as well as a database interface. A relational model of experimental data is
        thought into every level.
        
        .. list-table:: Techniques and Readers
           :widths: 20 15 50
           :header-rows: 1
        
        
           * - Measurement technique
             - Status
             - Readers
           * - Electrochemistry
             - Released
             - - biologic: .mpt files from Biologic's EC-Lab software
               - autolab: ascii files from AutoLab's NOVA software
               - ivium: .txt files from Ivium's IviumSoft software
           * - Mass Spectrometry
             - Released
             - - pfeiffer: .dat files from Pfeiffer Vacuum's PVMassSpec software
               - cinfdata: text export from DTU Physics' cinfdata system
               - zilien: .tsv files from Spectro Inlets' Zilien software
           * - Electrochemistry - Mass Spectrometry
             - Released
             - - zilien: .tsv files from Spectro Inlets' Zilien software
               - EC_MS: .pkl files from the legacy EC_MS python package
           * - Spectroelectrochemistry
             - Released
             - - msrh_sec: .csv file sets from Imperial College London's SEC system
           * - X-ray photoelectron spectroscopy (XPS)
             - Future
             -
           * - X-ray diffraction (XRD)
             - Future
             -
           * - Low-Energy Ion Scattering (LEIS)
             - Future
             -
        
        Tutorials are described at https://ixdat.readthedocs.io/en/latest/tutorials.html
        
        Installation
        ------------
        
        To use ``ixdat``, you need to have python installed. We recommend
        `Anaconda python <https://www.anaconda.com/products/individual>`_.
        
        To install ``ixdat``, just type in your terminal or Anaconda prompt::
        
            $ pip install ixdat
        
        And hit enter.
        
        ``ixdat`` is under development, and to make use of the newest features,
        you may need to upgrade to the latest version. This is also easy. Just type::
        
            $ pip install --upgrade ixdat
        
        
        Article repositories
        --------------------
        
        ``ixdat`` is shown in practice in a growing number of open repositories of data and analysis
        for academic publications:
        
        - Soren B. Scott, et al.  **Tracking oxygen atoms in electrochemical CO oxidation â€“Part I: Oxygen exchange via CO2 hydration**. `Electrochimica Acta, 374, 137842 <https://doi.org/10.1016/j.electacta.2021.137842>`_, **2021**.
        
          Repository: https://github.com/ScottSoren/pyCOox_public
        
        - Soren B. Scott, et al.  **Tracking oxygen atoms in electrochemical CO oxidation â€“Part II: Lattice oxygen reactivity in oxides of Pt and Ir**. `Electrochimica Acta, 374, 137844 <https://doi.org/10.1016/j.electacta.2021.137844>`_, **2021**.
        
          Repository: https://github.com/ScottSoren/pyCOox_public
        
        - Kevin Krempl, et al. **Dynamic Interfacial Reaction Rates from Electrochemistry - Mass Spectrometry**. `Journal of Analytical Chemistry. 93, 7022-7028 <https://doi.org/10.1021/acs.analchem.1c00110>`_, **2021**
        
          Repository: https://github.com/kkrempl/Dynamic-Interfacial-Reaction-Rates
        
        - Junheng Huang, et al. **Online Electrochemistryâˆ’Mass Spectrometry Evaluation of the Acidic Oxygen Evolution Reaction at Supported Catalysts**. `ACS Catal. 11, 12745-12753 <https://doi.org/10.1021/acscatal.1c03430>`_, **2021**
        
          Repository: https://github.com/ScottSoren/Huang2021
        
        
        Join us
        -------
        
        `ixdat`` is free and open source software and we welcome input and new collaborators. Please help us improve!
        
        Contact us (sbscott@ic.ac.uk) or just
        `get started developing <https://ixdat.readthedocs.io/en/latest/developing.html>`_.
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.6
Description-Content-Type: text/x-rst
