Tuesday, 30 March 2010

Resolution limit overhaul...

Not before time, have finally overhauled the resolution limit calculations. At the moment they rely on a separate piece of code to merge the reflections after scaling, and some curve fitting to decide some limits. The defaults are:

- I/sigma > 1
- Mn(I/sigma) > 2
- completeness anything
- Rmerge anything

And are accessed through the command line as -isigma -misigma -completeness [0,1] -rmerge. This will form the kernel of the next release N.B. to access the new resolution limit code, use pipelines -2dr -3dr in place of -2d -3d. Worth it.

Also includes: changes to workflow for these pipelines, use of Scala sd correction automation stuff, -interactive mode for autoindexing with Mosflm / Labelit to allow guidance of image selection.

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