opendata.fit documentation

Declarative data analysis for reproducibility and publication.

Introduction

opendata.fit is a declarative data analysis and publication ecosystem, currently available as a web platform and a command line tool.

Our aim is to enable reproducibility and open science by providing user-friendly data analysis tools for scientists that automatically capture data provenance and analysis history for publication.

Getting started with the opendata.fit web platform

A datapackage defines an analysis workflow and contains a record of its current state.

Logging in

Log in by navigating to https://app.opendata.fit/login and entering your credentials.

What is a datapackage?

A datapackage is the basic building block of the opendata.fit platform. It is a JSON file containing a complete description of a data analysis workflow, including input and output data, parameters, algorithms, user interfaces and visualisations.

Using a datapackage

There are currently two available datapackages on the opendata.fit platform. Once logged in, you should see both listed as available templates on the home page.

To start an analysis, find the datapackage you would like to use and click "Clone" in the bottom right hand corner of the card. This will copy the datapackage template into your account and open your copy for editing.

For datapackage-specific usage instructions, see the Datapackages section below.

Viewing your datapackages

On the right hand side of your home page under "My datapackages" you will see a list of the 10 latest datapackages that belong to your account.

You can see a complete list of datapackages belonging to your account by clicking the "My datapackages" link.

Local execution

See here for instructions on executing a datapackage locally.

Datapackages

Bindfit datapackage

Bindfit is a binding constant fitting tool designed to work with classical supramolecular titration data obtained from NMR, UV, Fluorescence and other methods.

SasView datapackage

The SasView datapackage is a wrapper around the Python-based, open source SasView small angle scattering analysis tool that allows it to be used within the opendata.fit platform. Currently only 1D data analysis is supported.

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