Re: [dddwg] DDDWG: Standards for metadata

[email protected]" type="cite"> 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?

CACPXL4j9uJPteGQLHaVTsN1Pav62NAN10sxqd1tN4qC4B-8V+A@mail.gmail.com" type="cite">

- 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 Förster wrote:

CACPXL4j9uJPteGQLHaVTsN1Pav62NAN10sxqd1tN4qC4B-8V+A@mail.gmail.com" type="cite">

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

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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