Ha14 Tutorials: Difference between revisions
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THIS PAGE IS DEPRECATED. This page details processing procedures described in [https://doi.org/10.1038/nmeth.2887 Hattne 2014] (Ha14), using LABELIT for initial indexing and stills-specific refinement and integration code implemented in the package ''cctbx.rstbx'' | THIS PAGE IS DEPRECATED. This page details processing procedures described in [https://doi.org/10.1038/nmeth.2887 Hattne 2014] (Ha14), using LABELIT for initial indexing and stills-specific refinement and integration code implemented in the package ''cctbx.rstbx'' | ||
Latest revision as of 23:02, 18 August 2026
This page has been archived
THIS PAGE IS DEPRECATED. This page details processing procedures described in Hattne 2014 (Ha14), using LABELIT for initial indexing and stills-specific refinement and integration code implemented in the package cctbx.rstbx
Processing xfel data at LCLS consists of four steps:
- Averaging and other Preparatory steps
- Metrology refinement
- Indexing and integration. Optional steps:
- Real-time progress monitoring.
- Streaming data viewer.
- Configuring specific spotfinder, indexing and integration parameters using phil.
- Merging
- Advanced Merging: Use cases for isomorphous replacement and de novo structure
- cctbx.prime: Merging using the prime.postrefine program.
- Resolving an Indexing Ambiguity
Processing outside of LCLS can be done by Indexing individual stills
Additionally, cctbx.xfel utilizes phil files to manage its configuration settings.
Processing L498 thermolysin details instructions to reproduce the results published in the forthcoming cctbx.xfel paper.