the integrated spectral analysis workbench (isaw)

The Integrated Spectral

Analysis Workbench (ISAW)

DANSE Kickoff Meeting, Aug. 15, 2006, D. Mikkelson, T. Worlton, Julian Tao

Outline

● What is ISAW● Design Goals● Highlights from supported instruments● Overall Structure● What Worked Well● What Didn't● Future

ISAW

● Developed as collaborative effort between

IPNS and UW-Stout– Development started in 1999– Funding from the NSF since 2002

● Currently used on– 8 instruments at IPNS– 4 instruments at LANSE

● Some components are being used in the

SNS Portal and at ANSTO

ISAW's Main Goal

● Provide a user-friendly, coherent collection of

tools for neutron scattering data visualization,

reduction and analysis, including remote

access and access to “live” data for

experiment steering.

Extensible

● Operators provide new functionality● Scripts allow users to combine operators,

control and customize data reduction● User supplied scripts and operators are

automatically found, placed in menus and

callable from other operators and scripts

Portable

● Portable to different instruments of the same

type. ● Portable within and across facilities● Portable to future upgraded instruments● Portable to most widely used personal

computing systems, Windows, Mac, Linux

Really Free

● GNU GPL ● Based on freely available deployment and

development system. (Java)

HRCS S(Q,E)

SCD Index/Integrate Wizards

SCD Reciprocal Space Slicer

SCD Reciprocal Space Viewer

SAND/SASI S(Qx,Qy)

GPPD raw data

GSAS Peak Shapes

GLAD -> Reduced Noise

GLAD -> Extended Q Range

ISAW Data Objects

● A “Data” object represents one sequence of values

at a list of “X” values, together with attributes that

apply to the sequence of values.● A “DataSet” is a list of Data objects together with

attributes that apply to the full collection of Data

objects.● “Virtual Arrays” provide abstraction for a source of

Data that can be mapped to an array

Retrievers & Writers

● “Retriever” objects can get DataSets from– IPNS run files– NeXus files (LANSCE, SNS, LENS)– ISIS files (some instruments)– Live or Remote Data servers– ISAW serialized DataSets & ISAW XML format

● “Writer” objects write data to– NeXus files– GSAS input files– ISAW serialized DataSets & ISAW XML format

Viewers

● DataSets and Virtual Arrays can be displayed

in highly interactive viewers for – images– tables– graphs– 3D

Operators

● Encapsulate one logical operation● Are self-describing● Include a method to provide end-user

documentation● Can be automatically wrapped around Java

static method● Can be wrapped around external methods

(C, FORTRAN, or... via JNI)

ISAW Scripts

● “Special Purpose” scripting language● VERY easy to use● Controls a sequence of operations, typically

on DataSets● GUI is auto generated for rapid prototyping● End user documentation provided in scripts● New scripts are automatically placed in the

ISAW menu system

Wizards

● An ISAW Wizard controls a sequence of operations● Step forward/backward through forms, view

intermediate results, change parameters, etc.● Each Wizard form corresponds to one operator or

script● A Wizard is EASILY constructed from a sequence

of operators and/or scripts (“almost” automatic”)● Parameters can be linked across forms

What Worked Well

● Common Data structures● Reusable interactive viewers● The operator concept (NOTE: operators

”should” just be wrapped around calculation

to keep the core calculations isolated from

the framework.) ● Scripts (Instrument scientists can customize)

What Worked Well (cont'd)

● Automatically generated GUI for scripts and

operators● Operator Generator (wraps an underlying method in

an operator)● Wizards● Auto-discovery of new scripts and operators

– Automatic placement in menu system● NOTE: ISAW is NOT monolithic... the “workbench”

is just a convenient launching point for scripts,

operators and wizards

What Didn't

● Original Data/DataSet objects only

appropriate for raw data and certain types of

reduced data● Need a better strategy for managing data

attributes, as Data are summed, merged, etc.● NeXus promises to provide a common format

for data interchange but...– need instrument definitions– need facilities to write “standard” NeXus files

Future Directions

● Collaboration with DANSE and SNS– DANSE & SNS could use ISAW components where

appropriate– ISAW hosted as application in SNS Portal– ISAW could provide complementary data reduction

and visualization on small computers using DANSE

and SNS components– New capabilities: TOPAZ reciprocal space

visualization and analysis● Collaboration with Xray community● Support our users! (IPNS, LANSCE, SNS...)

Acknowledgments

● This material is based on work supported by

the National Science Foundation under grant

numbers DMR-0218882 and DMR-0426797● ANL/IPNS● The whole ISAW team