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Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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absolute_scaling IndexError #904

Closed dagewa closed 11 months ago

dagewa commented 1 year ago

With the previous code, if number == d_star_sq_hkl.size() then the following line would fail with IndexError (https://github.com/xia2/xia2/issues/749):

self.kernel_width = d_star_sq_hkl[sort_permut[number]]-d_star_sq_low

The change ensures that number does not exceed d_star_sq_hkl.size()-1