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The in-situ experimental data tool

Project description

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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:

docs/source/figures/ixdat_example_figures.png <figcaption>

In-situ experimental data made easy

</figcaption>

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.

Version

This is the latest version.

For changes up to this version, see CHANGES.rst

For ixdat 0.1.9 see the v0.1.x branch.

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 also includes pluggable exporters and plotters, as well as a database interface. A relational model of experimental data is designed into every level.

Techniques and Readers

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)

Development

  • avantage: .avg files from Thermo Scientific’s Avantage software

X-ray diffraction (XRD)

Development

  • xrdml: .xrdml files from e.g. PanAnalytical’s Empyereon

In-situ Electrochemistry - X-ray adsorption spectroscopy

Development

  • qexafs: .dat files from Diamond’s B18 beamline

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.

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:

Join us

ixdat is free and open source software and we welcome input and new collaborators. Please help us improve ixdat!

Contact us (https://github.com/ixdat/ixdat/discussions or sbscott@ic.ac.uk) or just get started developing.

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