Article: Best practices for high data-rate macromolecular crystallography (HDRMX).
Structural dynamics (Melville, N.Y.)
2020 Volume 7, Issue 1, Page(s) 14302
Abstract: In macromolecular crystallography, higher flux, smaller beams, and faster detectors open the door to experiments with very large numbers of very small samples that can reveal polymorphs and dynamics but require re-engineering of approaches to the ... ...
| Abstract | In macromolecular crystallography, higher flux, smaller beams, and faster detectors open the door to experiments with very large numbers of very small samples that can reveal polymorphs and dynamics but require re-engineering of approaches to the clustering of images both at synchrotrons and XFELs (X-ray free electron lasers). The need for the management of orders of magnitude more images and limitations of file systems favor a transition from simple one-file-per-image systems such as CBF to image container systems such as HDF5. This further increases the load on computers and networks and requires a re-examination of the presentation of metadata. In this paper, we discuss three important components of this problem-improved approaches to the clustering of images to better support experiments on polymorphs and dynamics, recent and upcoming changes in metadata for Eiger images, and software to rapidly validate images in the revised Eiger format. |
|---|---|
| Language | English |
| Publishing date | 2020-01-09 |
| Publishing country | United States |
| Document type | Journal Article |
| ZDB-ID | 2758684-4 |
| ISSN | 2329-7778 |
| ISSN | 2329-7778 |
| DOI | 10.1063/1.5128498 |
| Database | MEDical Literature Analysis and Retrieval System OnLINE |
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