[Xrays@aps.anl.gov] 100 h

[Gene Ice]

On Jun 13, 2006, at 4:16 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?

Software for polychromatic microdiffraction is one-of-a-kind and  
primitive in its ability to pass information from one part of the  
experiment to another. There is a need to simplify the user framework  
without losing flexibility. Jon Tischler has lots of ideas on how  
this can be accomplished but little time. This is a worldwide problem  
with new instruments of the same class being developed around the  
world. We believe an international collaboration-which we are  
fostering- will allow for more user friendly, powerful and robust  
data analysis. Right now, only a few scientists can analyze data  
after it is collected. This is a tragedy and should not be the  
situation. The data should be analyzed as it is taken.




>
> 2. What additional tools are needed?

1. Automated fit to elastic strain with uncertainties
2. Automated uncertainties for orientation
3. Automated fit to dislocations
4. Automated fit to simultaneous elastic and plastic deformation
5. Real-time data analysis
6. Energy scan automated phase determination (in collaboration with  
high pressure community)
7. Build in the ability to accept and parse data at much higher frame  
rates (~100 Hz).
>
> 3. How can the existing tools be improved?
>
1. Build a framework that is robust and has standalone modules that  
can be worked on by worldwide community
> 4. What will most affect the scientific impact of your work?
>
Polychromatic microdiffraction already provides unique information.  
With the improvements above we believe we can revolutionize our  
understanding of materials. Our facility is incredibly productive as  
is, but with these improvements it will become flooded with proposals  
and with groundbreaking scientists and will be much more useful for  
outside users. These improvements should increase productivity by a  
factor of 2 to 3!
>
> 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>
>