Baker/McGreevy

Day 1• How many beamlines have eqpmt not able to support present software?• Certain experiments can’t be done now, but in future?• What does current software not do?• Need readouts of mevs, A-1, current display of data that is not esoteric, is a

peak an artifact of the instrument?• Need data simulations during experiment• Do the results correspond to expectations?• Intelligent systems?• What is the “2-minutes” based on?, Time requirements of different

instruments?• Walk-in, crawl under hood, push button, analyze data versus simulation• Who will determine if sample is good? Modeling program for structure will

aid this?• Experiment pre-planning will allow sample structure determination to be

what is expected: analysis software with rapid response, and tie into structure databases on planet

Baker/McGreevy

Day 1

• What leads to hypothesis-driven research?• How to data dip in an integrated way• Need standard modules describing resolution models for

each instrument• Central repository of software• Code throw-out: lower the bar, make the development

process easy and straightforward• Will the code be written in open source so future use

cannot be denied? • Code openness leads to responsibility to assist others in

use of code; this may lead to reluctance for sharing• Neutron community should support sharing of the code!• Quality assurance is a hurdle; vote with feet

Baker/McGreevy

Day 1

• User to have option of leaving facility w/o data reduction

• Gory details of sample for metadata? Encourage but not mandate

• Capture as much metadata as possible automatically, electronic notebook, smart card

• Should software identify, and data formats, track errors? YES!

• Implications of computer security• Track treatment of each data set

Baker/McGreevy

Day -1

• Different levels of access for software repository? • Benchmarking software is important• Prioritize software adapted to SNS, who?• Resources will never be available to support all codes• Need the ability to integrate “personal” code into SNS

framework • How will needs of casual user differ from experienced

user?• Need to know what codes are being written• Two levels of codes: (1) facility supported with high level

of detail; (2) user supplied with lower level of documentation

• Capture intellectual prowess of community

Baker/McGreevy

Day -1• Going from specific use code to general purpose is difficult and

time-consuming• Common modules for instruments or analysis functions• Reducing data will be provided by the SNS, common across

instruments; treatment routines would be different, help provided by facility

• API: application program interfaces are needed; • Facility will provide instrument-specific output after reduction,

capable of being used with analysis programs• Need assessments of individual code packages to see their

potential for use at SNS• Source code is needed if facility manages code: trust but verify• Identify class of customers for software• Inexperienced users need statistical packages (SAS..) to be

integrated with other data treatments, plug and play

Baker/McGreevy

Day -1• Total problem-solving environment needed?• Entropy module to be pulled in, along with knowledge base• Top-level from home institution, plugged in and ported; home,

airport and on plane• Be able to cut junk, eliminate other parts of data, but note various

subtractions.• The only facility product is what comes out of detectors, all of the

rest is visualization• Are there codes available that learn? Codes that are expert

systems? Common component architecture (CCA) can be used to integrate pre-packaged data analysis

• Should there be an effort to translate the experience of instrument scientists into an expert system? YES

• Immediate incentive is needed for supplying metadata and ancillary code; convince a few super-users of benefit

• Electronic notebook to include metadata

Baker/McGreevy

Day -1

• Identify barriers to use personal codes and then the added value to use facility programs

• Jennifer White and viz the lipids• User written programs typically start at the analysis

stage; SNS will provide data reduction programs• SNS will enable people’s science, this is a partnership,

not get in each other’s way• What is minimum to get in the SNS door? Should SNS

be another tool in a tool box?• SNS should provide the framework for the full process,

yet allow individuals to use their favorite tools, to be extensible

Baker/McGreevy

Biologists

• Biologists have high level requirements, but are not code diggers, but need high-level interface; they need data formats that allow use of existing software (CCP-4)

Baker/McGreevy

Chemistry

• Jennifer White and viz the lipids

Baker/McGreevy

Materials Science

Baker/McGreevy

Physics

Baker/McGreevy

Day 1 +

• 3-D goggles with colored neutrons viewing structure, with dispersion lit up on touch

• Flexibility to go down into pulse-level raw data, as well as go up in ultimate massaging

• Ability for instrument simulation of resolution may be soon or longer term

Baker/McGreevy

Paul’s summaryData format• Standard formats• Capture (automatically) as much metadata as possible• Carry processing history• Carry error propagation• Carry full history of analysis (MC, MD..)Data visualization• All type of formats• Instantly at instrument• From everywhere (office, on/off line)Analysis reduction• Software architecture should be plug-in for legacy code and individual code• SNS to provide core validated code • Provide depository and knowledge baseFuture• Encourage growth of software with professional programmers and contributions from the

communityOther• Reliability is key (every time it is needed whatever it is)• Users should have access to data from raw data level to final image as desired