[Xrays@aps.anl.gov] 2006 XSD Scientific Software Workshop User Survey

[Dean Haeffner]

1 & 2.  There are so many limitations, that space will not permit  
anything approaching a complete list.  First, I don't think data  
acquisition should be left out of this list.  Many of our problems  
have to do with coordinating macros, detectors, sample environments,  
motions, etc. for collecting data, and this is by no means at a  
satisfactory state.  Most beamlines do not log data in a satisfactory  
way, even though the tools basically exist.  In many ways, it is much  
more important than the four listed, because the beamlines must  
perform that task, while the others can be off loaded to users to  
some degree.

The lack of a widely accepted data format is a persistent problem  
that has been the subject of talk, but little action for at least 12  
years.
Standard analysis tools (e.g., Fit2D) have largely been taken from  
other facilities (the ESRF in particular), and as such, are usually  
not tailored to the APS in way.  A suite of robust analysis tools  
should be available, though some users will always prefer their own.   
I think modeling and simulation is largely in the domain of the user,  
and the APS cannot hope to do much to make more than a few users  
happy.  There may be a couple of exceptions to this, but generally I  
think we should focus on acquisition, reduction, and basic analysis.

3.  A centralized effort is needed, presumably from the BCDA group.   
Tools that are developed need to be better publicized, and  
documentation (especially the webpage) must be much improved.  No  
effort will please everyone, but some programs such as SPEC are so  
widely used that it is possible to help a lot of people.  For the  
case of SPEC, many macros exist around the APS, and much could be  
gained from developing a way of sharing this software.  Small focus  
groups on particular software packages might be very helpful.  A few  
pizzas can go a long way to further communication.  Also, to strongly  
matrix the BCDA group to beamlines would help.  Clearly more  
personnel are needed before this can ever really be implemented  
well.  A good goal would to be 0.5 FTE per sector.

4.  More people doing software & hardware development directly  
working with beamline staff and users.

Dean

On Jun 13, 2006, at 3:16 PM, 2006 XSD Scientific Software Workshop  
User Survey wrote:

>
>
> June 13, 2006
>
> Dear Colleague,
>
> We have been asked by the XSD Division to organize a workshop to
> determine our fundamental needs and opportunities in scientific
> software systems for x-ray data reduction, analysis, modeling and
> simulation.  The workshop has been scheduled for August 29, 2006
> at the Advanced Photon Source.
>
> In order to prepare for this workshop we would like your input on
> what you see as the needs and opportunities for scientific
> software development at the APS and in the X-ray community, as
> well as information that would support making a funding proposal
> for such resources.  In particular:
>
> 1. What are the limitations of current tools for
>   x-ray data reduction, analysis, modeling, and simulation?
>
> 2. What additional tools are needed?
>
> 3. How can the existing tools be improved?
>
> 4. What will most affect the scientific impact of your work?
>
>
> We realize you have a busy schedule and appreciate your taking
> time to address these issues.  We need the responses by
> Thursday, June 22. Please direct your responses to:
>
>    xrays at aps.anl.gov
>
>
> Thank you,
>
>  2006 XSD Scientific Software Workshop Organizing Committee
>       Kenneth Evans, Jr. <evans at aps.anl.gov>
>       Francesco De Carlo <decarlo at aps.anl.gov>
>       Pete Jemian <jemian at anl.gov>
>       Jonathan Lang <lang at aps.anl.gov>
>       Ulrich Lienert <lienert at aps.anl.gov>
>       John Maclean <jfm at aps.anl.gov>
>       Matt Newville <newville at cars.uchicago.edu>
>       Brian James Tieman <tieman at aps.anl.gov>
>       Brian H. Toby <toby at anl.gov>
>       Michel A. Van Veenendaal <michel at aps.anl.gov>
>