Topics

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)

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.
• Processing
• IDXREF with subtopics Obtaining ORGX ORGY, Ice rings, Indexing, Reindexing
• CORRECT, see also Reindexing
• Small molecules how to process difficult datasets, or those with few reflections
• worked-out examples: see Quality Control, in particular the four projects (2QVO, 3CSL, simulated-1g1c and 2VB1) at the bottom of the article.

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