ImageD11.scalem | index /sware/exp/fable/standalone/redhate4-a64/lib/python2.5/site-packages/ImageD11/scalem.py |
Module(s) for scaling peaks
- Read in a series of columnfile type objects
collection of columnfiles
- Read in some symmetry information:
there are 32 crystallographic point groups
11 contain a centre of symmetry and are also laue groups
- For each peak
assign it a unique "key" in a list of reflections
typically h>=k>=l of the symmetry equivalents
Give it a scale factor (or two)
Compute the corrected intensity and derivative w.r.t scale factors
- For each uniq key compute the average group intensity
with or without median style filtering
- Compute the overall R(int) merging statistic and minimise that w.r.t scaling
variables
- Optimise scale factor variables
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