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cctbx
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cctbx_project
Computational Crystallography Toolbox
https://cci.lbl.gov/docs/cctbx
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fixes to MetallicButton to address wxPython 4.2.0 changes
#867
alyubimov
closed
1 year ago
1
mmtbx: force rebuild of database pickle when loading fails
#866
bkpoon
closed
1 year ago
1
Nanobragg noise
#865
nksauter
closed
1 year ago
2
Join cols with `apply`+`astype` instead of `agg` to change type
#864
Baharis
closed
1 year ago
0
Xfel panel drift
#863
Baharis
closed
1 year ago
0
March 2023 release (2023.3)
#862
bkpoon
closed
1 year ago
0
Xfel drift table
#861
Baharis
closed
1 year ago
1
Better detector drift scraping and visualizing
#860
Baharis
closed
1 year ago
0
Molprobity2 debug7
#859
russell-taylor
closed
1 year ago
0
Xfel drift plotter
#858
Baharis
closed
1 year ago
0
diffBragg hardening
#857
irisdyoung
opened
1 year ago
0
Ambiguity of xfel balance worker
#856
Baharis
opened
1 year ago
6
CircleCI Security Issue from conda-forge
#855
bkpoon
opened
1 year ago
0
For wxpython 4.2.0 these functions expect certain parameters to be int.
#854
dagewa
closed
1 year ago
1
Clean up after removing deprecated dispatcher options.
#853
irisdyoung
closed
1 year ago
0
wx.Timer.Start expects an integer value for milliseconds.
#852
dagewa
closed
1 year ago
2
So how many GPUs are on a Perlmutter GPU node again?
#851
Baharis
opened
1 year ago
9
Dispersion
#850
vganapati
closed
1 year ago
3
February 2023 release (2023.2)
#849
bkpoon
closed
1 year ago
0
modify_cosym: remove experiments without a cb_op
#848
dwpaley
closed
1 year ago
0
experiment_filter: add ability to exclude cells matching a cluster
#847
dwpaley
closed
1 year ago
0
Diffbragg2kokkos
#846
Trzs
closed
1 year ago
45
Add a decorator libtbx.mpi4py.mpi_abort_on_exception
#845
dwpaley
closed
1 year ago
0
Xfel striping fix
#844
Baharis
opened
1 year ago
2
Add GUI widget to modify number of nodes for TDER
#843
Baharis
closed
1 year ago
0
change all np.float to float, np.bool to bool
#842
dwpaley
opened
1 year ago
0
January 2023 release (2023.1)
#841
bkpoon
closed
1 year ago
0
XFEL GUI: MPI safe ensemble refinement
#840
phyy-nx
closed
1 month ago
13
Does cctbx/iotbx support multi-block CIFs?
#839
rowlesmr
opened
1 year ago
2
HKLviewer regression tests
#838
Oeffner
closed
1 year ago
5
Use std::shared_ptr instead of boost equivalent
#837
rjgildea
closed
1 year ago
5
December 2022 release (2022.12)
#836
bkpoon
closed
1 year ago
0
Add detector and unit cell drift plotting tool to xfel utils
#835
Baharis
closed
1 year ago
2
Sort jobs correctly in cctbx.xfel jobs tab
#834
Baharis
closed
1 year ago
6
speed up slice_table by only calling experiment_identifiers() once
#833
dwpaley
closed
1 year ago
0
implement one-item slices for miller sets and arrays
#832
dwpaley
closed
1 year ago
5
Fix to allow the optional persistent columns to be retained during po…
#831
dwmoreau
closed
1 year ago
0
Add nxmx to conda dependencies
#830
rjgildea
closed
1 year ago
1
CBF trusted range updates
#829
dwpaley
closed
1 year ago
0
Unpin everything
#828
dwpaley
closed
1 year ago
1
Prevent `all_integrated_refls = None` returned by integrate worker
#827
Baharis
closed
1 year ago
0
fix cbf round-trip by matching the convention in dxtbx 474fd828
#826
dwpaley
closed
1 year ago
0
update rayonix trusted values to match convention in cctbx/dxtbx#536
#825
dwpaley
closed
1 year ago
0
November 2022 release (2022.11)
#824
bkpoon
closed
1 year ago
0
Molprobity2 debug6
#823
russell-taylor
closed
1 year ago
0
Remove exp_id from cctbx.xfel.merge
#822
phyy-nx
closed
1 year ago
3
Better weather
#821
Baharis
closed
1 year ago
3
Scipy scaling
#820
dwpaley
closed
1 year ago
1
XFEL cosets: use logger instead of print
#819
phyy-nx
closed
1 year ago
0
More correct XFEL plot_uc_histogram
#818
Baharis
closed
1 year ago
1
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