2012 Data Working Group Report

From canSAS

Report from the Data Working Group


The data working group, represented here by Andrew Jackson (ESS), Pete Jemian (APS), Tobias Richter (Diamond) and Ron Ghosh, was given two tasks:

  • Addition of wavelength dependent transmission to the existing 1D xml format standard as proposed by Steve King (ISIS)
  • Developing a recommendation for a multi-dimensional data format for reduced small angle scattering data.

In doing so, we began by defining what we considered to be the scope of the problem and target uses, proceeded to develop a data model and then to producing examples and demonstrating implementations.


  • Data format for multidimensional (in Q space and as function of process variables) reduced SAS data.
  • Reduced SAS data means:
    • Intensity as a function of Q where all instrument geometry and detector effects have been removed.

Target Uses

Data analysis
  • By providing extended metadata and Intensity-Q maps as a function of process variables, more sophisticated analysis will become possible
Data Deposition
  • The requirement for data deposition with publication will require a means of recording data provenance and sample information alongside the data itself.
  • To make this useful, a standard data model allows for more straightforward checking and re-use of deposited data.

Data Model

Minimum Required Entries


Minimum Recommended Entries


Examples and Implementations

2012 Data Discussion Examples


Actions for after meeting

  • Report
    • AJJ will write 1st draft for circulation
  • 1D data update
    • AJJ and PRJ will deal with this.
  • Real data examples
    • AJJ will enter some real data using TSR's python code
  • Documentation
    • PRJ and AJJ
    • Collate information from minutes
    • Dictionary of terms
    • Primer on usage with simple examples
  • Updated abstract for SAS 2012
    • TSR?
  • Contacting possible implementers.
    • ALL once examples and documentation are done.