Discussion List Archives

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [dddwg] DDDWG: Standards for metadata

These suggestions might be a bit beyond the scope of the present discussion, but I think they touch on the issue raised in this email, so I�ll mention them here.

o I think it would be useful to have a photograph of the diffractometer setup at the beginning and end of each experiment, each with a time stamp, and to attach these as metadata. This would provide a record of the actual experimental geometry, and might provide an independent check on some of the other metadata.

o I also think it would be useful to have a single photograph of each crystal used (with a scale bar), along with the corresponding frames of the dataset; this would provide a visual record of the size, shape, and appearance of each crystal, along with information about how the crystal was mounted.

o It might be too much to ask, but even better would be to have a photograph of the crystal corresponding to each frame, with an indication of the incident beam, a scale bar, and information to transform between the camera view and the view along the incident beam. 

�
Michael Wall 
Scientist, Los Alamos National Lab
CCS-3 MS B256, Los Alamos NM 87545
[email protected] / +1 505 665 4209 

On Feb 17, 2016, at 9:03 AM, Harry Powell <[email protected]> wrote:

Dear all

I think that Andreas' suggestions are useful. For *automatic* recognition of an experimental set-up I think you do need to have the first three; I have numerous datasets where the same detector has been moved from one beamline to  another, the direction of rotation has changed, or even the orientation of the "single-axis" gonisostat has been changed from horizontal to vertical on the same beamline and back again...

If nothing else, these can help to provide a sanity check.

Many years ago Andrew Leslie and I provided what we thought of as a baseline set of parameters for the miniCBF that was being proposed by Dectris for the Pilatus - would it be useful if I dug out the list to let dddwg pass their eyes over it?

- date of data collection
- place of data collection (synchrotron + beamline or home source)
- detector name, model and serial number

On 17 Feb 2016, at Wed17 Feb 15:52, Wladek Minor wrote:


Dear Andreas and All,

Our idea was to create a set of parameters that would allow to process data from most of detectors. We should add additional set and what was proposed by Andreas is very good.

There will be parameters that one can find only after re-processing. Unless we will have automatic processing that can reliably find all these parameters, these fields should be empty.

Best regards

Wladek

On 2/17/2016 7:10 AM, Andreas F�rster wrote:
Dear Wladek and Tom,

thank you for assembling an initial list of metadata parameters.  If I remember correctly, these are the data that all detector should record to allow for processing and archiving of the data.  For this, I would include a few more fields:

- date of data collection
- place of data collection (synchrotron + beamline or home source)
- detector name, model and serial number
- possibly sensor material and sensor thickness for parallax correction
- X-ray flux

At some point, some checksum mechanism to ensure data integrity might be useful.

All best.


Andreas


On Tue, Feb 16, 2016 at 6:40 PM, Terwilliger, Thomas Charles <[email protected]> wrote:
Hi DDDWG members!

As Wladek has mentioned, we have set up a small working group to develop standards for metadata for diffraction images. The members of the working group are Andreas Forster, Wladek Minor, and Loes Kroon-Batenburg.

Wladek has drafted a starting point for these standards and I have attached an edited version. Your comments are welcome and I have included emails for the working group members so that they can see your comments!

All the best,
Tom T

_______________________________________________
dddwg mailing list
[email protected]
http://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg




--
Andreas F�rster, Ph.D.
MX Application Scientist, Scientific Sales
Phone: +41 56 500 2100 | Direct: +41 56 500 2176 | Email: [email protected]
DECTRIS Ltd. | Taefernweg 1 | 5405 Baden-Daettwil | Switzerland | www.dectris.com

LinkedIn
 facebook 





Confidentiality Note: This message is intended only for the use of the named 
recipient(s) and may contain confidential and/or privileged information. If you 
are not the intended recipient, please contact the sender and delete the message.
Any unauthorized use of the information contained in this message is prohibited.



-- 
Dr. Wladek Minor
Professor of Molecular Physiology and Biological Physics
Phone: 434-243-6865
Fax: 434-982-1616
http://krzys.med.virginia.edu/CrystUVa/wladek.htm


US-mail address:
Department of Molecular Physiology and Biological Physics
University of Virginia
PO Box 800736, Charlottesville, VA 22908-0736

Fed-Ex address:
Department of Molecular Physiology and Biological Physics
1340 Jefferson Park Avenue
University of Virginia
Charlottesville, VA 22908

----
_______________________________________________
dddwg mailing list

Harry
--
Dr Harry Powell, MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge, CB2 0QH

Chairman of International Union of Crystallography Commission on Crystallographic Computing
Chairman of European Crystallographic Association SIG9 (Crystallographic Computing) 




_______________________________________________
dddwg mailing list
[email protected]
http://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg

_______________________________________________
dddwg mailing list
[email protected]
http://mailman.iucr.org/cgi-bin/mailman/listinfo/dddwg

Reply to: [list | sender only]
International Union of Crystallography

Scientific Union Member of the International Science Council (admitted 1947). Member of CODATA, the ISC Committee on Data. Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014.

International Science Council Scientific Freedom Policy

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.

Useful links