Ha14 Tutorials: Difference between revisions
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* [[Merging]] | * [[Merging]] | ||
* [[Advanced Merging]]: Use cases for isomorphous replacement and <em>de novo</em> structure | * [[Advanced Merging]]: Use cases for isomorphous replacement and <em>de novo</em> structure | ||
* ''[[cctbx.prime]]'': Merging using the ''prime.postrefine'' program. | |||
* [[Resolving an Indexing Ambiguity]] | * [[Resolving an Indexing Ambiguity]] | ||
Revision as of 20:26, 1 May 2015
These tutorials assumes the steps outlined in setup have been followed first. 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
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.