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[fix] Avoid division of F_obs by k_total (multiply F_calc/F_mask instead) #691

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[fix] Avoid division of F_obs by k_total (multiply F_calc/F_mask instead) #691

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8 changes: 5 additions & 3 deletions mmtbx/bulk_solvent/scaler.py
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Original file line number Diff line number Diff line change
Expand Up @@ -374,11 +374,13 @@ def k_mask_grid_search(self, r_start):
selection, core, selection_use, sel_work = cas
f_obs = self.f_obs.select(selection)
k_total_ = k_total.select(selection)
f_calc = core.f_calc.data() * k_total_
f_mask = core.f_mask().data() * k_total_
k_mask_bin_, k_isotropic_bin_ = \
bulk_solvent.k_mask_and_k_overall_grid_search(
f_obs.data()/k_total_,
core.f_calc.data(),
core.f_mask().data(),
f_obs.data(),
f_calc,
f_mask,
k_mask_trial_range,
selection_use)
k_mask_bin.append(k_mask_bin_)
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