ISAW: Integrated Spectral Analysis Workbench Technical Overview ARCS Software Workshop at California Institute of Technology Peter F. Peterson (IPNS)

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

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.

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

DataSet Concept Container DataSet DataBlock DataSet 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

DataSet Concept (cont) DataBlocks (individual spectra—functions 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)

ISAW data views Tree view Table view

ISAW data views Image view 3D view Scrolled graph view Selected graph view

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

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

Abridged Organization of ISAW Source ISAW CommandNetCommDataSetTools datasetutiloperator DataSet AttributeConversion EditListMath SpecialDG_Spectrometer DiffractometerIDG_Spectrometer ReflectometerSAD SCD Generic Batch Calculator Load Save Special retrieverviewerwriter OperatorsScripts

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

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

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

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

EXAMPLE: merge_runs

Merged runs

Zoom in on merged runs

Future Interface: Wizards ISAW OperatorsScriptsWizards Master List of Parameters Name Value Pairs State of Parameter Forms One Logical Step Script or Java Code

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

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