@xia2stuff Profile picture

Graeme Winter

@xia2stuff

Joined May 2011
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BTW manual now in CCP4 newsletter now live, comments welcome!


Interesting bug just squashed with reindexing, thanks to Stephen G for pointing that one out...


From CCP4 meeting has become clear some kind of ... manual ... is needed :o)


Aimless for merging data from XDS (N.B. not yet scaling!) now working


Getting there with incorporating AIMLESS into xia2, thanks for your help Phil!


Release coming, have fixed a bunch of bugs. Testing helps.


Goniometry sums are sometimes hard, and even harder to test...


Tinkering under the hood of Python.


Refactoring detector handling at the moment, to make things user extensible.


Getting ready for ACA, hoping volcanoes don't cause problems


Now see annoyances of free services, xia2.blogspot.com out and so post about new release gone :o(


xia2 0.3.3.1 out now at the usual places...


Also warn if you are asking too much of resolution limits... "Warning: high resolution limited to 1.63"


Also found some occasional weirdness with XDS reindexing, seems to suggest C2 solution for P222 / P2 cases. Nonsense!


Right, was rounding errors, think it is fixed in revision #3491.


Funny: first couple of examples can't reproduce #1413


Another bug (known about) -3d does not play nice with -resolution, investigating


Resolution: gotcha, fixed revision #3489


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