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Dear Colleagues,<br>
<br>
Looking back at the past half century, one thing I am certain of is
that there will continue<br>
to be new, exciting and wildly different way of collecting scientific
data that will be developed.<br>
What we need it a framework that can continue to adapt and evolve,
where an scientist can<br>
use what he/she finds useful from what has already been done, but feels
free to add <br>
new groups/tags/fields, etc. that allow him/her to accurately describe
that way in which his/her<br>
science is being done.<br>
<br>
We need to be descriptive, rather than prescriptive. We need to
accurate describe what<br>
people are doing now and we in the future we will need ways to allow
out future selves to <br>
accurately describe what we are doing then. No set of
groups/tags/fields we come up with <br>
now will be complete and final. It will just be the best we can do now
on the basis of the<br>
information we have now.<br>
<br>
For anything, and object, we work with, there will be some general
descriptive name that <br>
give the "type" or "class" of that object, such as NXdetector. That
name does not, necessarily <br>
tell us which particular object we are dealing with. That needs
another name for the particular<br>
instance of the class, e.g. "detector" or "Pilatus 6M SN 1342" or
"mugwump". With experiments<br>
gathering increasing numbers of interesting and useful objects used to
do a particular experiment,<br>
we need to allow for an arbitrary number of instances of classes to be
gathered together in<br>
on NeXus entry -- and that mean allowing for multiple detectors,
multiple samples, multiple<br>
beams, all of which need both class names and need object instance
names. I urge that we<br>
move way from all the fixed uses of object instance names, such as
"data", "detector", "instrument"<br>
and "sample" and allow the use of arbitrary names with meaning to the
experimenter.<br>
<br>
This can create a problem with fields, which, in NeXus, have
classically been identified by their<br>
name, rather than by their type. But if you look at the HDF5
implementation of NeXus classes,<br>
they are just named groups with an NX_class attribute. We can easily
remove the restrictions<br>
on the naming of fields in a very general way by adding a new attribute
NX_field_class with<br>
a value equal to the current pre-defined field name. Then, if an
NX_field_class attribute is specified<br>
for a field, that attribute value would be used for validation instead
of the name. If no NX_field_class<br>
attribute is specified the name would be used for validation.<br>
<br>
This would, for example, immediately resolve the problem of dealing
with multiple data fields<br>
in on NXdata class instance, replacing the limited<br>
<br>
data:NXdata<br>
data_00001=[.....]<br>
data_00002=[.....]<br>
...<br>
<br>
with the more general<br>
<br>
mywonderfuldata:NXdata<br>
first_interesting_output=[...]<br>
@NX_field_class="data"<br>
second_interesting_output=[...]<br>
@NX_field_class="data"<br>
<br>
<br>
<br>
<br>
<br>
On 7/17/14 11:24 AM, Osborn, Raymond wrote:
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<pre>Those tags should as much as possible be compatible with each other. Obviously "event mode" and "monochromatic beam" are unlikely to occur together. But rather than prescribing a name for groups ("detector") we'd have tags for saying "I'm the small angle detector" and "I recorded the fluorescence".
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<pre>Actually, event mode using monochromatic beams is the basis for one of the most exciting recent developments in inelastic neutron scattering, i.e., measuring 4-dimensional S(Q,w) while continuously rotating the sample in a monochromatic beam. This perhaps highlights the challenge of keeping the NeXus base classes current - we really need constant input from the whole community because new experimental configurations are continually being developed. There is a feedback mechanism in facilities that have centralized software development. The Mantid developers are aware of the 4D-S(Q,w) technique because they are developing data reduction for it. It may be more difficult for synchrotron beamlines that are responsible for their own software.
Ray
P.S. This is another reason for allowing ad hoc use of NeXus while people are getting experience with the best way of handling data collected by a new technique. We shouldn’t fix the standard before data analysis procedures are mature.
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