Resolution buglet

So it's become clear that the "fixes" to the resolution limit calculations I made a while back - while useful - broke the ability for you the user to set what you want as a resolution limit, as in essence it ignores you. This was the same from the command line or xinfo file. This is nor repaired in revision #3282 and will be included in the next release.

New mailing list

I have set up a mailing list at sourceforge.net as I left the organisation which host this list 18 months ago - if you are keen to keep subscribing, please go to

https://lists.sourceforge.net/lists/listinfo/xia2-list

and add in your email address. It uses mailman to manage, so it's pretty easy going.

Bug reports

Hi Folks,

I've decided to start using the sourceforge bug tracker in addition to my own internal one, to handle user bug reports & feature requests - this is available from here:

https://sourceforge.net/tracker/?group_id=211879&atid=1019527

You can post anonymous bugs, but if you either sign in or put your email in to the report you can here when things happen...

Cheerio, Graeme

0.3.1.7 release

Somewhat overdue, done in a hurry to get the just mentioned fix out:


Changes since 0.3.1.6

• Changes suitable for working on microcrystals - reachable through a -microcrystal command line flag, and -failover is probably helpful too.
• If lattice or spacegroup specified, do not run tests.
• 2dr and 3dr now the default pipelines - use 2dold or 3dold if you need to get to the old pipelines.
• Fixed selection of known lattice in IDXREF reindexing.

Please get in touch if you would like more information on the microcrystal option - this is definitely work in progress...

Problematic indexing when setting spacegroup

So, following a user problem I have tracked down an issue in the indexing with XDS: if you specify the lattice to use but this has rather a high penalty, the solution will be mangled. This is a bad thing. Now I have tracked down where this was going wrong and fixed it!

About time we had a site file?

So the old chestnut of backstop masking has re-appeared, and this time I figured it would be easiest not to try and code up something clever, but instead let you (or your beamline scientist) tell xia2 where the beamstop etc. are.

So - what I have lined up for the site file so far are:

• a way of locating the beam stop as a function of some distances
• the ADC offset for CCD detectors

If you have a beamline where you run xia2, or a lab source, and would like something else propogated please drop me a line - I will be all ears.

Latest XDS

Just found out that there is a new version of XDS out there - it appears to work fine with xia2, but you will need to do the usual edits of ${XIA2_ROOT}/Wrappers/XDS/XDS.py to add

'May 10, 2010'

to the list of supported versions. Next version of xia2 will include this.