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[dddwg] Fwd: Many thanks .....Please.....

  • To: IUCr Working Group on Diffraction data Deposition <dddwg@iucr.org>
  • Subject: [dddwg] Fwd: Many thanks .....Please.....
  • From: "Herbert J. Bernstein" <yayahjb@gmail.com>
  • Date: Sun, 23 Oct 2016 05:26:46 -0400
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  • In-Reply-To: <73660833-0601-46B9-912B-AFFB3E389276@manchester.ac.uk>
  • References: <5FDAAB132A30B7469258444FB7BD4C9101C3157796@MBXP07.ds.man.ac.uk><CABcsX26qmfOu1e+cv2F9KmcAeb2K-iRQ8=GHT4Unub4XNBwL=w@mail.gmail.com><0DA3445F-6CF0-4681-BFE9-F8D201A63E03@manchester.ac.uk><CABcsX27h6F7KfcLzHn7FRiJzkXu1mTd3KSbTnb5f=rhTu_UJrg@mail.gmail.com><FBFD243B-9F8B-4AA0-A15C-DC8A11E66B22@manchester.ac.uk><CABcsX26XbxH77xngFAajY3Br9T_S3naJkKQYAOvEDTnxKPbWtg@mail.gmail.com><0E661D7F-2D36-4942-A402-E9D8840A48F6@manchester.ac.uk><CABcsX27FcM+P6pOO0j9G4NtD7wi2A0-88vFqJ+kWajxb1yUTqQ@mail.gmail.com><B895FFE1-1E93-45D1-876B-1EAB23812B94@manchester.ac.uk><CABcsX25TD==VWfyZEmRg=3V3eNxwUwmVnA2W=AUoFQq1TNF5JA@mail.gmail.com><73660833-0601-46B9-912B-AFFB3E389276@manchester.ac.uk>
John asked me to share this progress report with the DDDWG:

Dear John,

  We have been making good, albeit slow, progress on the metadata issues related to the Eiger.  You will find background detail on what I will discuss here at http://hdrmx.medsbio.org.

  The problem we had been facing was the risk of generating data without sufficient metadata in our hurry to move MX images from the new generation of pixel-array detectors, such as the Dectris EIger.  We have been having a series of meetings on High Data Rate MX in which the metadata issues have been discussed.  In our meeting in Basel on 2 September 2016, we came to a unanimous agreement that should, if carried out fully, resolve the issue.

    1. Dectris is only responsible for providing the currently specified HDF5 FileWriter output and the streaming interface; and

    2. The beamlines are responsible for processing the streaming interface to other formats;

    3. But what should be archived or distributed should be NXmx compliant

Then, at the NeXus International Advisory Committee (NIAC) meeting in Copenhagen 13-14 October 2016, NIAC agreed to the extensions to the NXmx (NeXus Macromolecular Crystallography) application definition that specifies the metadata that should be in MX images (and which is interoperable with CBF).  We will be working on the software to implement all this over the next few months, and hopefully, when we have the next HDRMX meeting 15-17 March 2017 in March in Lund at Max IV we will have a solid software base the light sources with Eigers and XFELs with CSPADs can adopt in a way to provide data with fairly uniform and consistent metadata.

Naturally these things are never really done and we will need to spread the news on how all this works, so I suspect we should have discussions on this at New Orleans and in Hyderabad.

Let me know if you need more detail on all this.

Regards,

    Herbert

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