Re: [ccp4bb] test data sets part II...

2008-10-02 Thread Mark J. van Raaij

Dear All,

with regards to diffraction images storage (see also Androulakis et  
al., Acta Cryst. (2008). D64, 810–814: Federated repositories of X- 
ray diffraction images), I am all for it - one to be able to catch  
fraud, but more importantly so structures can be improved in the  
future and better data processing programs can be developed.


However, I would welcome a central repository or at least a central  
organisation of local nodes, because I can see no local solution where  
I am (probably other small macromolecular crystallography groups would  
have the same problem). In fact, if someone would agree to host our  
data I would be happy to upload datasets. For some datasets it would  
even be useful if I could send the digital tapes, we don't have a  
reader for them anymore and in that way we ourselves can have access  
to our own data...


Greetings,

Mark

Mark J. van Raaij
Dpto de Bioquímica, Facultad de Farmacia
Universidad de Santiago
15782 Santiago de Compostela
Spain
http://web.usc.es/~vanraaij/







On 24 Sep 2008, at 02:43, Ashley Buckle wrote:


We put our raw data, plus metadata here: http://www.tardis.edu.au
JCSG also make data available, but I think its just an archive, with  
little or no annotation

cheers
Ashley

On 24/09/2008, at 7:02 AM, afyfe wrote:


Dear Tommi,
I'm not sure whether 'test data sets part I'  relates to the query   
I mailed the other day but,  in light of the  recent posts  
regarding  fundamental literature, your suggestion seems an  
excellent one.


Perhaps I'm not looking in the right places, but finding examples  
of image sets exhibiting e.g., radiation damage, crystal slippage,  
autoindexing failures or any of the aberrations shown in Phil  
Evans' excellent scala tutorial seems  difficult. Likewise for  
examples of good and bad final-refinement maps. Making primary/ 
intermediate data available would benefit both students and  
algorithm comparison/validation (e.g.  measuring performance on  
standard data sets is routine in data-visualization/image- 
processing papers).


Tommi Kajander wrote:

Also, i think that would be nice if this type of info could be put  
on  the web, part of the wiki for instance..
if there is some consensus to what works + the typical proteins  
easily  available.


Tommi Kajander, Ph.D.
Structural Biology and Biophysics
Institute of Biotechnology
University of Helsinki
Viikinkaari 1
(P.O. Box 65)
00014 Helsinki
Finland
p. +358-9-19158903
[EMAIL PROTECTED]




--
Alastair Fyfe
Graduate Student
Biomolecular Engineering Dept.
University of California, Santa Cruz




Associate Professor Ashley M Buckle
NHMRC Senior Research Fellow
The Department of Biochemistry and Molecular Biology
School of Biomedical Sciences, Faculty of Medicine 
Victorian Bioinformatics Consortium (VBC)
Monash University, Clayton, Vic 3800
Australia

http://www.med.monash.edu.au/biochem/staff/abuckle.html
iChat/AIM: blindcaptaincat
skype: ashley.buckle
Tel: (613) 9902 0269 (office)
Tel: (613) 9905 1653 (lab)

Fax : (613) 9905 4699






Re: [ccp4bb] test data sets part II...

2008-09-24 Thread Kay Diederichs
I have put some data sets, and data reductions including 
crystallographic calculations, into XDSwiki: check out 
http://strucbio.biologie.uni-konstanz.de/xdswiki/index.php/Quality_Control
This is work in progress, so expect additions/changes! And the best is: 
anyone may contribute ...


HTH,

Kay


smime.p7s
Description: S/MIME Cryptographic Signature


Re: [ccp4bb] test data sets part II...

2008-09-24 Thread Uwe Mueller
EMBL-Hamburg and BESSY have put a number of interesting data-sets 
including tutorial materials for data processing and phase determination 
made available recently.


You can download the data from both locations:
http://www.mx.bessy.de/xray_tutorial.shtml
http://webapps.embl-hamburg.de/Xray_Tutorial/


Uwe

--
___
Dr. Uwe Mueller
AG Makromolekulare Kristallographie   
BESSY GmbH   
Albert-Einstein-Straße 15   
D-12489 Berlin 
Phone: +49-(0)30-6392 4974   
Fax  : +49-(0)30-6392 4975   
email: [EMAIL PROTECTED]   
url  : http://www.mx.bessy.de 


Re: [ccp4bb] test data sets part II...

2008-09-23 Thread afyfe

Dear Tommi,
I'm not sure whether 'test data sets part I'  relates to the query  I 
mailed the other day but,  in light of the  recent posts regarding  
fundamental literature, your suggestion seems an excellent one.


Perhaps I'm not looking in the right places, but finding examples of 
image sets exhibiting e.g., radiation damage, crystal slippage, 
autoindexing failures or any of the aberrations shown in Phil Evans' 
excellent scala tutorial seems  difficult. Likewise for examples of good 
and bad final-refinement maps. Making primary/intermediate data 
available would benefit both students and algorithm 
comparison/validation (e.g.  measuring performance on standard data sets 
is routine in data-visualization/image-processing papers).


Tommi Kajander wrote:

Also, i think that would be nice if this type of info could be put on  
the web, part of the wiki for instance..
if there is some consensus to what works + the typical proteins 
easily  available.


Tommi Kajander, Ph.D.
Structural Biology and Biophysics
Institute of Biotechnology
University of Helsinki
Viikinkaari 1
(P.O. Box 65)
00014 Helsinki
Finland
p. +358-9-19158903
[EMAIL PROTECTED]




--
Alastair Fyfe
Graduate Student
Biomolecular Engineering Dept.
University of California, Santa Cruz