Processing data with Xia2 at 8.3.1


Detailed documentation can be found on the Global Phasing website.

Practically speaking (guidance yanked from the Xia2 web page)

From the gateway (if logged in via NX) or graphics3 (if logged in at the beamline).

If you don’t like reading manuals and just want to get started, try:

xia2 pipeline=dials /here/are/my/images

or:

xia2 pipeline=3d /here/are/my/images

(remembering of course atom=X if you want anomalous pairs separating in scaling.) If this appears to do something sensible then you may well be home and dry. Some critical options:

If this doesn’t hit the spot, you’ll need to read the rest of the documentation.

Option Usage
atom=X tell xia2 to separate anomalous pairs i.e. I(+) ≠ I(−) in scaling
pipeline=dials tell xia2 to use DIALS
pipeline=dials-aimless tell xia2 to use DIALS and Aimless
pipeline=3d tell xia2 to use XDS and XSCALE
pipeline=3dii tell xia2 to use XDS and XSCALE, indexing with peaks found from all images