Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

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

Open
wants to merge 1 commit into
base: master
Choose a base branch
from
+5 −3
Open

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

Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
8 changes: 5 additions & 3 deletions mmtbx/bulk_solvent/scaler.py
View file
Open in desktop
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_)
Expand Down