Knowing where all the important files are is really all that is needed.
Sofistication can come later.
I would welcome a CCP4 database-assisted data archive system.
Here is my contribution to the discussion:
I agree with Paul Paukstelis that getting users to use any
database-assisted data archive system
is the biggest obstacle. I have had problems with compliance with my
system, where all that the student
has to do is to provide file and directory names each Friday to keep the
database up to date.
It is a simple html based access system where through hyperlinks one can
access the data anywhere
where it is stored. Users need only provide the directories names of where
the various pieces
of data are stored within the accessible network and the data manager (any
HTML competent individual)
can then set-up the links to the main control platform (start-up html
page).
The advantage of such system is that it is platform independent and needs
only a well configured browser.
It is backward compatible with any old data.
George Pelios may want to consider an automated system where mosflm, scala
and all subsequent
programs contribute to create and update a raw data retrieval file on the
basis of the files
they have used. When the project is finished a backup program should be
able to retrieve
all such files to be stored in a consolidated manner for transfer to a
long term storage server.
A brief description of the system I use for synchrotron data collection:
========================================================================
Prior to the synchrotron trip, each sample taken to the synchrotron is
entered in a table that represents its position in
the puck with hyperlinks to a file describing its position in the
crystallization tray (this file will have hyperlinks
to crystallization and all prior preparation steps).
As data is collected a short comment (resolution and number of frames is
included if data has been
collected) as the data is transfered in the home lab a link to the
directory where the data is
stored is then added.
To give an idea of data quality Mosflm and gimp screen capture are used to
create a jpg of
the first data image (with the frame filename added) which is stored in
the same directory as
the raw data frames. This image is accessed when clicking on the comment.
Compliance with the system can be checked by clicking on comments other
than "not tested".
It is all manual but is not very time consuming once the initial html
templates have been
set up. Still I am looking foward to a simple CCP4 designed system that
can do something similar
automatically.
I would also recommend looking at ispyb implemented at the ESRF which is
also web based:
www.esrf.eu/UsersAndScience/Experiments/MX/Software/ispyb
Enrico.
--
Enrico A. Stura D.Phil. (Oxon) , Tel: 33 (0)1 69 08 4302 Office
Room 19, Bat.152, Tel: 33 (0)1 69 08 9449 Lab
LTMB, SIMOPRO, IBiTec-S, CE Saclay, 91191 Gif-sur-Yvette, FRANCE
http://www-dsv.cea.fr/en/institutes/institute-of-biology-and-technology-saclay-ibitec-s/unites-de-recherche/department-of-molecular-engineering-of-proteins-simopro/molecular-toxinology-and-biotechnology-laboratory-ltmb/crystallogenesis-e.-stura
http://www.chem.gla.ac.uk/protein/mirror/stura/index2.html
e-mail: [email protected] Fax: 33 (0)1 69 08 90 71
