[Nmrshiftdb-users] Consider contributing datasets to NMRShiftDB

[Christoph S. <c.s...@un...>]

Dear Colleagues,

quite some time has passed since my last email to this nmrshiftdb-users=20
mailing list.
Meanwhile, we are at version 1.0.9 of NMRShiftDB and we have published a=20
second article about the database [2], this time addressing some use=20
cases. Technical details can be found in the first NMRShiftDB=20
publication [1].

The number of registered users has again grown considerably, on average=20
still at a rate of about one per day. It has also been a great success=20
to reach a database size of about 12000 structures and spectra in such a=20
short time.
Still there is some room for improvements:

1. CONSIDER CONTRIBUTING DATASETS

One of the more interesting feature of NMRShiftDB, which makes it=20
different from existing databases in the field, is the option for the=20
user to contribute datasets. Only by this mechanism, NMRShiftDB will get=20
bigger and better. Please consider contributing to NMRShiftDB by=20
entering datasets (a structure, a spectrum, an assignment and some=20
additional data) which are interesting for you. This could be either=20
from your own work or from the current or past literature.
If there are electronic collections of such data in your institution,=20
consider donating them to NMRShiftDB. We will be happy to write a parser=20
for this data.
Just think about one dataset per week (!) (~15 min, depending of the=20
dataset size). With 300 users, this makes 15000 datasets per year. We=20
are also looking for people to act as reviewers of dataset. In order to=20
qualify as a reviewer, you should have added at least ten datasets to=20
the database, which again were validated by others as being correct.
The NMRShiftDB stand-alone client MyNMRShiftDB is in a usable state, so=20
you might want to consider it for doing offline data input (for example=20
during a long train ride :-)). You can then upload the data to the web=20
database as soon as you are online again.

2. POST QUESTIONS, HINTS, ETC., TO THIS LIST

This email list is supposed to be forum of information exchange between=20
NMRShiftDB users. If there are any questions, hints, comments, etc.,=20
consider sending your email to this list. This will make the discussion=20
more efficient and transparent, compared to an email exchange between=20
just the administrators and you. We would love to get some feedback from=20
your side. Further, consider reporting bugs and filing requests for=20
enhancements (RFE) via http://www.sourceforge.net/projects/nmrshiftdb

With best regards,

Christoph Steinbeck and Stefan Kuhn


[1] Steinbeck, C.; Kuhn, S.; Krause, S. NMRShiftDB - Constructing a=20
Chemical Information System with Open Source Components. Journal of=20
Chemical Information & Computer Sciences 2003, 43, 1733 - 1739.
http://dx.doi.org/10.1021/ci0341363

[2] Steinbeck, C.; Kuhn, S. NMRShiftDB =96 compound identification and=20
structure elucidation support through a free community-build web=20
database. Phytochemistry 2004, 65, 2711-2717.=20
http://dx.doi.org/10.1016/j.phytochem.2004.08.027

--=20
Dr. habil. Christoph Steinbeck (c.s...@un...)
Head of the Junior Research Group for Applied Bioinformatics
Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de)
Z=FClpicher Str. 47, 50674 Cologne
Tel: +49(0)221-470-7426   Fax: +49 (0) 221-470-7786

What is man but that lofty spirit - that sense of enterprise.
... Kirk, "I, Mudd," stardate 4513.3..