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Dear CrystFEL users and interested crystallographers,
CrystFEL version 0.6.2 has been released. The most interesting changes
in this version are improvements to the stability of scaling in partialator,
the addition of "custom dataset splitting" for time-resolved/isomorphous
replacement experiments and more, "retry" indexing to increase the indexing
rate, and support for per-pixel saturation values needed to correctly handle
dual-gain CSPAD data.
The improvements to scaling stability should improve the results with most
data sets, but particularly those where there have been problems with large
numbers of crystals getting rejected due to excessively large relative B
factors.
"Custom dataset splitting" enables you to process multiple datasets in one
large scaling (or post-refinement) job, and separate them afterwards. This
eliminates any possible concerns over uniqueness of the solution with these new
data processing methods.
"Retry" indexing is where the indexing method is repeated, if it fails the first
time, after deleting some of the weakest peaks. In many cases, this leads to a
successfully indexed pattern. This can sometimes double the indexing rate!
However, it makes it slower to process if the indexing rate is low, and you can
disable it by adding "-noretry" to all the indexing methods.
See the release notes for more discussion of these improvements.
In addition, there are many smaller improvements, new features and bug
fixes. See the ChangeLog for details.
Thanks for all of your past and future feedback and contributions, and
your continued use of CrystFEL. As ever, please contact me directly if
you would prefer to be unsubscribed from this mailing list.
CrystFEL website:
http://www.desy.de/~twhite/crystfel
Release notes for version 0.6.2:
http://www.desy.de/~twhite/crystfel/relnotes-0.6.2
CrystFEL tutorial:
http://www.desy.de/~twhite/crystfel/tutorial
Tom
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