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== What is XDS, and how to obtain it? ==
XDS is a program package written for the "reduction" of 2-dimensional data images ("frames") obtained from crystals irradiated with monochromatic X-rays. The package mainly consists of the programs [[XDS]] (which processes a single dataset), [[XSCALE]] (for scaling of several datasets) , and [[XDSCONV]] (for conversion of a reflection output file to other formats). Additional auxiliary programs are [[cellparm]], [[2cbf]] and [[merge2cbf]]. [[XDS-viewer]], for visualizing frames, can be downloaded separately (see [[Installation]]).
The author of the program package is Wolfgang Kabsch (Wolfgang dot Kabsch at mpimf-heidelberg dot mpg dot de); since 2007 I contribute code, handle and fix bugs and teach XDS usage.
The program is free for academic use, and can be downloaded from (if the download from that site fails, there's a copy at ).
Documentation is at or [ here].
An open-source viewer [[XDS-Viewer]] is [ available] for visualization of the control images written by [[XDS]] (and [[XSCALE]]). Latest versions of [[Adxv]] can also visualize XDS output files.
There is another program available, which serves to produce additional output of tables and plots. This is not part of the official XDS package; its name is [[XDSSTAT]] (written and distributed by Kay Diederichs). Yet another program that produces frame-wise (for XDS_ASCII.HKL) or dataset-wise (for XSCALE.HKL) CC<sub>1/2</sub> statistics is [[XDSCC12]].
[[XDSGUI]], a graphical user interface, serves to help using XDS.
== Links to XDS papers by Wolfgang Kabsch ==
# [ ''J. Appl. Cryst.'' (1988). 21, 67-72. Automatic indexing of rotation diffraction patterns.] explaining the diffraction geometry as used in XDS, the local-indexing method used in IDXREF and the refinement of diffraction geometry parameters.
# [ ''J. Appl. Cryst.'' (1988). 21, 916-924. Evaluation of single-crystal X-ray diffraction data from a position-sensitive detector]. This is ''the'' reference for the integration and scaling algorithms employed in the INTEGRATE and CORRECT steps.
# [ ''J. Appl. Cryst.'' (1993). 26, 795-800. Automatic processing of rotation diffraction data from crystals of initially unknown symmetry and cell constants]. This builds upon publication 1. and gives further important details of the IDXREF step, in particular about space-group determination.
# [ Chapters 11.3 and 25.2.9 in ''International Tables for Crystallography Volume F: Crystallography of Biological Macromolecules'']
# [ ''Acta Cryst.'' (2010). '''D66''', 133-144. Integration, scaling, space-group assignment and post-refinement.] the definitive reference. Open access.
# [ ''Acta Cryst.'' (2010). '''D66''', 125-132. XDS] the definitive reference. Open access.
== Purpose of the Wiki ==
The purpose of this Wiki is to provide an accurate resource for XDS users, and to provide explanations and hints for the successful use of XDS. I (Kay Diederichs) try to keep the Wiki up-to-date with XDS versions and insights. I collect [[Tips and Tricks]] for XDS usage, explanations of its output, and recommendations for the parameters in [[XDS.INP]] (if it appears useful to deviate from their defaults).
To see what's there already, go to [[Special:Allpages|List of all pages]]. A good starting point is the article about [[XDS.INP]] where the keywords and parameters for running XDS are described. There is also a [[wishlist]], and [[Known Bugs]], and [[Quality Control]] (under construction).
== Contributing to the Wiki ==
* The MediaWiki software used here works in the same way as the well-known Wikipedia. This means that anyone can read articles, but for editing existing pages, and creating new ones (this happens automatically when you click on a [[red link]]), you need a [[Creating an account|userid and password]].
* Short introduction to [[creating an article]]
== Wiki contents == * [[Special:Allpages|List of all pages]] - to see which articles pages exist already ... * [[Topics]] as an attempt to provide a hierarchy of pages * new articles: [[SSX]], [[Xscale_isocluster]], [[LIB]] == News ==[[xds_nonisomorphism]] [[xscale_isocluster]] == See also ==[ Keitaro Yamashita's talk about XDS processing given at ACA2014]. [ XDS talk given at ACA2011] [ Practical use of XDS (for data reduction) - by Fulvio Saccoccia, Presented in April, 4th 2013; Dept. of Biochemical Sciences and Istituto Pasteur-Fondazione Cenci Bolognetti - Sapienza University of Rome. ] [ XDSAPP, a graphical user interface for automatic data processing with XDS]
* most information is currently in articles [[XDS]] and [[XDS.INP]]; interesting articles might be [[MINIMUM_ZETA]], [[Wishlist]], [[Obtaining_ORGX_ORGY]], [[Space_group_determination]], [[Optimization]], [[Ice_rings]], and you might want to inspect [[Scaling_with_SCALA]], [[JiffiesInstallation]]

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