Re: SV: [sdpd] Re: UPPW-1

[Robin Shirley <R.Shirley...@surrey.ac.uk>]

> "We consider your comments to be harmful, and they do a disservice to
> the many scientists (volunteers, staff members, editors) around the
> globe that work with ICDD. We request that you act responsibly and
> carefully consider the consequences of your actions. We demand that you
> refrain from continuing to publish erroneous and harmful statements
> concerning ICDD, and the work it does. If you elect to continue to
> misrepresent the facts, ICDD will hold you accountable."

If accurately reported, this isn't appropriate behaviour for what's
advertised to be a non-profit scientific body - I hope ICDD will realise
that it doesn't show them in a good light to threaten critics (even if
they think the criticism is unfair), and that they should be more
tolerant in future.

> Closing my voice is not a solution.

Indeed, not even a possibility... (but your friends would not want that 
anyway, whether or not they always agree).

Best wishes

Robin

-----------------------------------------------

To:            sdpd...@yahoogroups.com
From:          Armel Le Bail <alb...@cristal.org>
Date:          Wed, 22 Oct 2003 09:31:00 +0200
Subject:       Re: SV: [sdpd] Re: UPPW-1
Reply-to:      sdpd...@yahoogroups.com


>Recently, I heard a talk by Per-Erik Werner where he voiced his opinion 
>that most of the remaining unindexed patterns in the PDF would probably 
>resist indexing, presumably due to systematic errors in the data.

This is also what is stated in his chapter 7 of the IUCr monograph 13.
The selected unindexed PDF-2 powder patterns submitted to
indexing were from the PDF sets 36-43. I agree that many old unindexed
PDF data would continue to resist to modern indexing software
(TREOR being modern). But the fact is that ICDD continues to
publish unindexed data, some being of high quality (Grant-in-Aid).
So, the UPPW will propose such recent unindexed data (sets 43-53),
and will demonstrate that for many of them, some very probable
cells can be proposed. The rate of one UPP per week is for not taking
too much of your precious time - in principle you have only to
propose the data (a few minutes job) to your favorite software, which
will  list the most probable cells.

One thing people have to realize is that the ~300.000 crystal
structures in CSD are a quite small part of the synthesized
organic and organometallic molecules (>20.000.000 ?),
most of them can be obtained as a solid in powder form. So
that there is some remaining work for crystallographers and
for databases ;-).

Best,

Armel

PS - Beware about criticism of ICDD... Read that recent story :

The COD, in March 1993, published on the Web a "database quiz"
which was not greatly appreciated by the ICDD executive director,
Tim Fawcett. Particularly Question IX - "You mean that you have
to buy CSD, ICSD, CRYSTMET and again the PDF-4 subsets which
are > 70% rebuilt by a simple calculation from atomic coordinates ?
A: This is scandalous, B: Normal commercial practice, C: This is
pure calumny".

The COD received by the end of July 2003 a 2.5 pages letter
explaining in particular that 'simple" is not appropriate. The letter
ends that way :
"We consider your comments to be harmful, and they do a
disservice to the many scientists (volunteers, staff members,
editors) around the globe that work with ICDD. We request
that you act responsibly and carefully consider the consequences
of your actions. We demand that you refrain from continuing to
publish erroneous and harmful statements concerning ICDD, and
the work it does. If you elect to continue to misrepresent the facts,
ICDD will hold you accountable."
cc: Kathryn H. Levering, Esquire.

I hope that indexing an unindexed ICDD Grant-in-Aid pattern will
be considered as a positive action and not as a criticism.
I think that science advance is made by reconsidering previous
science. Closing my voice is not a solution.


------------------------ Yahoo! Groups Sponsor ---------------------~-->
Rent DVDs Online - Over 14,500 titles.
No Late Fees & Free Shipping.
Try Netflix for FREE!
http://us.click.yahoo.com/Tq9otC/XP.FAA/3jkFAA/UIYolB/TM
---------------------------------------------------------------------~->

 

Your use of Yahoo! Groups is subject to http://docs.yahoo.com/info/terms/