ISAW: Integrated Spectral Analysis Workbench Technical Overview

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ISAW Integrated Spectral Analysis
WorkbenchTechnical Overview

• ARCS Software Workshop at
• California Institute of Technology
• Peter F. Peterson (IPNS)

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ISAW contributors

• Dennis Mikkelson and Ruth MikkelsonUW-Stout
• Alok Chatterjee (now on DAS team)
• Peter Peterson (Post-Doc)
• John Hammonds (DASread run file)
• Chun Loong (scientific advisor)
• Tom Worlton (project manager)
• Dongfeng Chen (HRMECS functions, now in China)

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The IPNS Web Project

• The goal of the IPNS Web Project is to provide
  remote access to data using portable, extensible
  software
• Integrated Spectral Analysis Workbench (ISAW)
• ISAW can read, view, and manipulate neutron
  scattering data. It provides both a GUI for ease
  of use and a scripting language for the power of
  repetitive operations. It is written entirely in
  Java? using object-oriented programming
  techniques for ease of portability and
  maintenance.

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ISAW Design Goals

• Interactive environment for visualization and
  analysis of Neutron Scattering Data
• Applicable to any instrument
• Freely available
• User friendly GUI
• Programmer friendly (OOP)
• User extensible
• Remote data access

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DataSet Concept

• A DataSet holds a collection of DataBlocks
  (spectra) with same units
• Each DataBlock can have meta-data associated with
  it stored in an extensible list of Attributes

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DataSet Concept (cont)

• DataBlocks (individual spectrafunctions or
  histograms)
• Includes attributes, x-values, y-values, errors
• DataSets (sets of spectra)
• Includes DataBlocks, OperationLog, x-units,
  x-label, y-units, y-label, title, data ranges,
  attributes
• Operations are DataSet dependent and can be
  performed on all spectra in DataSet
• Datasets can be merged, summed, etc.
• Containers (sets of DataSets)

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ISAW data views
Table view
Tree view
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ISAW data views
Selected graph view
Image view
Scrolled graph view
3D view
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Views are responsive to controls

• DataSets know which spectrum is currently pointed
  at/clicked on
• DataSets know which spectra are selected
• Menus know what operations can be performed on
  specified DataSets

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Views are responsive to controls

• Operations menu depends on DataSet pointed at by
  mouse/arrow keys
• Attributes are listed for pointed at spectrum or
  DataSet
• Cursor position readouts are responsive to mouse
  drag movements and arrow key movements
• Selected graph view only shows selected spectra
• Graph portion of Image view shows selected
  spectra plus pointed at spectrum
• Mouse/keyboard used to zoom/unzoom

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Abridged Organizationof ISAW Source
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Adding New Functionality

• End users can add new subroutines either as
  scripts or operators
• Common subroutines can be shared in a single
  location
• Individual users can develop code for their
  specific use

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Operators

• Written in java
• Automatically located and added to menus
• Promotes code reuse
• Function
• Maintains a list of parameters
• Invoked Using getResult()

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EXAMPLE ActivateStorage

• Required methods
• constructors
• getCommand() for scripts to call the operator
• setDefaultParameters() set up reasonable default
  values
• getResult() perform the actual operation
• All information is passed to the operator in
  parameters

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Scripts

• Simple uncompiled language to make repetitive
  tasks easier using FORTRAN/Basic-like syntax
• Automatically added to menu system
• GUI interface is automatically generated
• Function
• Provide easy user add-ons
• Can be run inside or outside of ISAW

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EXAMPLE merge_runs
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Merged runs
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Zoom in on merged runs
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Future Interface Wizards
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EXAMPLE MathWizard

• Forms
• perform one logical step
• draw themselves
• contain help information
• Wizards
• collect forms in an order
• communicate between forms
• allows switching between forms in order
• contain help information

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Future Plans for ISAW

• Abstraction of data types allow for using model
  functions and event data
• Viewers create custom viewers using existing
  viewer components
• Wizards
• Greater NeXuS support
• XML for internal saves of data and processing
  information