ESRF ID29

I have had problems reported when using xia2 to process data from the new Pilatus instrument on ESRF ID29. It seems that there are two problems - reading the image headers for xia2 and Mosflm handling the different image header that they are using. The former I have managed to mend and a patch is available, and Harry is looking to fix the latter in the forthcoming Mosflm release.

Meantimes, with the above patch xia2 -3dii or xia2 -indexer xds -integrater xdsr -scaler xdsr will work.

xia2 0.3.2.0 released

xia2 now updated to 0.3.2.0:

Changes since 0.3.1.7

• Now report the min, mean, max mosaic spread (according to the program definitions after integration of each sweep.
• Resolved problems with overriding environment.
• Added -serial pun for -parallel 1.
• Allow resolution limit to be assigned on a per-sweep basis.
• Handled corner case with images 200 - 250 (say) giving REBATCH error.
• Added full 8-way search for scaling models for 2d pipelines.
• Partial support for two-theta offset data collection (tested with Rigaku X-ray equipment and Diamond I19 data.)
• Added -min_images keyword which is helpful when analysing virus data with e.g. 4 images / sweep.

 Downloads in the usual place - please shout if you have any problems!

Used xia2 in a publication? Please let me know!

At some point I'd like to be in the position to get some help with xia2 developments. If such a situation does arise, it would be much easier if I had an indication of how useful the program has been to people. Now I know I didn't help the cause by taking my time to produce a xia2 paper to cite, to I accept that this is very much may fault :o) However I'd really like to hear from you.

Thanks in advance!

Sweeps starting with image 0: Part Deux

Turns out this may have been self induced, see:

https://sourceforge.net/tracker/index.php?func=detail&aid=3080972&group_id=211879&atid=1019527#

However is now fixed in revision 3306: changes to Experts/FindImages.py

Replacement file:

http://xia2.svn.sourceforge.net/viewvc/xia2/trunk/xia2/Experts/FindImages.py?revision=3306

Sweeps starting with image 0

As some of you will know, if you put in some data into xia2 with images starting from 0 it may well explode. XDS gives an error, as does REBATCH in the CCP4 suite (which you would expect to be able to renumber the batches!)

So, the easiest thing to do I think is to externally renumber the images. I will therefore write a little python program to do this - watch this space.

Bugs in xia2

So as we all know, xia2 has bugs. More are discovered from time to time. I'm moving to the public tracker at sf.net. If you'd like to see what's going on in this department (and maybe even check up on the progress of your bugs) please visit:

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

Downloads now available from sf.net

The files are exactly the same as I have been distributing from http://www.ccp4.ac.uk/xia but now mirrored at

https://sourceforge.net/projects/xia2/files/

I will aim to use this more than ccp4 in the future. Please let me know if you have any problems.