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(New page: == Programs == * XDS * XSCALE * XDSCONV * VIEW * XDSSTAT (this is not part of the XDS package) * Jiffies == Using XDS == * XDS.INP * IDXREF with subtopics ...) |
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* [[XSCALE]] | * [[XSCALE]] | ||
* [[XDSCONV]] | * [[XDSCONV]] | ||
* [[VIEW]] | * [[VIEW]] (obsolete) | ||
* [[XDS-Viewer]] open-source [[VIEW]] replacement | |||
* [[XDSSTAT]] (this is not part of the XDS package) | * [[XDSSTAT]] (this is not part of the XDS package) | ||
* [[Jiffies]] | * [[Jiffies]] (little helpful scripts) | ||
* [[SIM_MX]] (this is not part of the XDS package) | |||
* [[adxv]] (this is not part of the XDS package) | |||
* [[XDSGUI]] (this is not part of the XDS package) | |||
== Using XDS == | == Using XDS == | ||
* [[XDS.INP]] | * [[XDS.INP]] | ||
* [[IDXREF]] with subtopics [[Obtaining ORGX ORGY]], [[Ice rings]], [[Reindexing]] | * [[generate_XDS.INP]] - quick procedure to obtain XDS.INP for MarCCD, ADSC, Pilatus detectors | ||
* [[CORRECT]], see | * [[Tutorial(First_Steps)|Tutorial]] Quick beginner's walk-through if you just want to get going. | ||
* [[FAQ]] | |||
* [[Processing]] | |||
* [[IDXREF]] with subtopics [[Obtaining ORGX ORGY]], [[Ice rings]], [[Indexing]], [[Reindexing]] | |||
* [[CORRECT]] | |||
* [[Small molecules]] how to process difficult datasets, or those with few reflections | |||
* worked-out '''examples''': see in particular the five projects ([[2QVO]], [[3CSL]], [[simulated-1g1c]], [[1Y13]] and [[2VB1]]) at the bottom of [[Quality Control]]. | |||
* [[XDSGUI]] | |||
== Typical procedures == | == Typical procedures == | ||
* [[Space group determination]], see also [[Reindexing]] | * [[Space group determination]], see also [[Reindexing]] and [[Indexing]] | ||
* [[Optimization]], subtopics [[MINIMUM_ZETA]], [[Aliens]], see also [[Ice rings]] | * [[Optimization]], subtopics [[MINIMUM_ZETA]], [[Aliens]], see also [[Ice rings]] | ||
* [[Determining VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS]] | |||
* [[Tips and Tricks]] | * [[Tips and Tricks]] | ||
* [[Scaling with SCALA]] | * [[Scaling with SCALA]] | ||
== XDS development == | |||
* [[INTEGRATE]] - how does INTEGRATE work? | |||
* [[Quality Control]] | * [[Quality Control]] | ||
* [[Known Bugs]] | * [[Known Bugs]] | ||
* [[Wishlist]] | * [[Wishlist]] | ||
* [[Features that are not officially documented]] | |||
== external Links == | |||
* [https://xia2.github.io/ xia2] Automated Data Reduction | |||
Revision as of 15:37, 22 October 2019
Programs
- XDS
- XSCALE
- XDSCONV
- VIEW (obsolete)
- XDS-Viewer open-source VIEW replacement
- XDSSTAT (this is not part of the XDS package)
- Jiffies (little helpful scripts)
- SIM_MX (this is not part of the XDS package)
- adxv (this is not part of the XDS package)
- XDSGUI (this is not part of the XDS package)
Using XDS
- XDS.INP
- generate_XDS.INP - quick procedure to obtain XDS.INP for MarCCD, ADSC, Pilatus detectors
- Tutorial Quick beginner's walk-through if you just want to get going.
- FAQ
- Processing
- IDXREF with subtopics Obtaining ORGX ORGY, Ice rings, Indexing, Reindexing
- CORRECT
- Small molecules how to process difficult datasets, or those with few reflections
- worked-out examples: see in particular the five projects (2QVO, 3CSL, simulated-1g1c, 1Y13 and 2VB1) at the bottom of Quality Control.
- XDSGUI
Typical procedures
- Space group determination, see also Reindexing and Indexing
- Optimization, subtopics MINIMUM_ZETA, Aliens, see also Ice rings
- Determining VALUE_RANGE_FOR_TRUSTED_DETECTOR_PIXELS
- Tips and Tricks
- Scaling with SCALA
XDS development
- INTEGRATE - how does INTEGRATE work?
- Quality Control
- Known Bugs
- Wishlist
- Features that are not officially documented
external Links
- xia2 Automated Data Reduction