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rs-station
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reciprocalspaceship
Tools for exploring reciprocal space
https://rs-station.github.io/reciprocalspaceship/
MIT License
28
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11
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Update dependency pandas to v2
#211
renovate[bot]
closed
11 months ago
3
[pre-commit.ci] pre-commit autoupdate
#210
pre-commit-ci[bot]
closed
1 year ago
0
Update dependency gemmi to >=0.5.5, <=0.6.0
#209
renovate[bot]
closed
1 year ago
0
Upgrade sphinx version by removing sphinx_panels dependency
#208
JBGreisman
closed
1 year ago
2
Add GitHub Action for testing documentation build during pull requests
#207
JBGreisman
closed
1 year ago
1
API reference website display
#206
DHekstra
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#205
pre-commit-ci[bot]
closed
1 year ago
1
unstack_anomalous makes data that phenix cannot interpret
#204
kmdalton
opened
1 year ago
3
Update dependency jinja2 to <3.1.3
#203
renovate[bot]
closed
1 year ago
2
Fix documentation build by lowering jinja2 version
#202
JBGreisman
closed
1 year ago
2
Update dependency gemmi to >=0.5.5, <=0.5.8
#201
renovate[bot]
closed
1 year ago
1
support for read_precognition() for hkl without anomalous columns
#200
DHekstra
closed
1 year ago
6
Update broken MIT license badge in README.md
#199
JBGreisman
closed
1 year ago
1
`hkl_to_asu` does not annotate M/ISYM field correctly
#198
ziyuanzhao2000
closed
1 year ago
2
Update example interactive maps to point to rs-station
#197
JBGreisman
closed
1 year ago
0
Update all links in reciprocalspaceship for transfer to rs-station org
#196
JBGreisman
closed
1 year ago
0
function for cif file IO and possible support for multi-dataset files
#195
minhuanli
closed
9 months ago
3
rs.utils.asu.in_asu() does not use the 'anomalous ASU' for stacked anomalous data.
#194
DHekstra
closed
11 months ago
1
Unstack anomalous taking into account Careless repeats
#193
DHekstra
closed
1 year ago
10
`stack_anomalous` inside `groupby` breaks `as_index=False`
#192
kmdalton
opened
1 year ago
1
groupby apply drops cell and spacegroup
#191
kmdalton
opened
1 year ago
2
Cannot unstack_anomalous with other columns in index
#190
kmdalton
opened
1 year ago
0
add `rs.utils.weighted_pearsonr` and tests
#189
kmdalton
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#188
pre-commit-ci[bot]
closed
1 year ago
1
Add return_edges argument to DataSet.assign_resolution_bins()
#187
JBGreisman
closed
1 year ago
5
Update dependency gemmi to >=0.5.5, <=0.5.7
#186
renovate[bot]
closed
1 year ago
1
Update dependency pandas to >=1.2.0, <=1.5.3 - abandoned
#185
renovate[bot]
closed
11 months ago
3
rs.DataSet.assign_resolution_bins ought to return bin edges
#184
kmdalton
closed
1 year ago
1
Add `DataSet.reindexing_ops` and `DataSet.find_twin_laws()`
#183
JBGreisman
closed
1 year ago
1
`DataSet.to_numpy()` should use numpy dtypes whenever possible
#182
JBGreisman
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#181
pre-commit-ci[bot]
closed
1 year ago
1
Update dependency pandas to >=1.2.0, <=1.4.4
#180
renovate[bot]
closed
1 year ago
0
Add `sample_rate` and `dmin` arguments to `DataSet.to_reciprocalgrid()`
#179
JBGreisman
closed
1 year ago
8
Add `is_polar()` and `polar_axes()` to utility functions docs
#178
JBGreisman
closed
1 year ago
0
Add `rs.utils.polar_axes()` for classifying which cell axes permit continuous origin shifts
#177
JBGreisman
closed
1 year ago
1
Add `is_polar()` utility for classifying polar space groups
#176
JBGreisman
closed
1 year ago
1
Add `sample_rate` or `resolution_cutoff` options for `to_reciprocalgrid`
#175
kmdalton
closed
1 year ago
5
Model-free alignment of isomorphous maps (alternative origins problem)
#174
JBGreisman
closed
1 year ago
1
Resolving indexing ambiguities when comparing datasets
#173
JBGreisman
opened
1 year ago
12
Update dependency gemmi to >=0.5.5, <=0.5.6
#172
renovate[bot]
closed
1 year ago
1
Handle symmetry ops that produce fractional HKLs in `apply_to_hkl()`
#171
JBGreisman
closed
1 year ago
1
Updated functionality for `add_rfree` and `copy_rfree`
#170
dennisbrookner
closed
1 year ago
1
provide seed for reproducible creation of Rfree flags
#169
dennisbrookner
closed
1 year ago
2
Missing function call signature from Jedi-VIM autocomplete library
#168
kmdalton
closed
1 year ago
3
About the methods naming like "compute_xxx" and "label_xxx"
#167
minhuanli
closed
1 year ago
2
module 'reciprocalspaceship.algorithms' has no attribute 'compute_intensity_from_structurefactor'
#166
DHekstra
closed
1 year ago
2
[pre-commit.ci] pre-commit autoupdate
#165
pre-commit-ci[bot]
closed
2 years ago
1
Add features to the add_rfree function
#164
minhuanli
closed
1 year ago
4
Update dependency pandas to >=1.2.0, <=1.4.3
#163
renovate[bot]
closed
2 years ago
0
[pre-commit.ci] pre-commit autoupdate
#162
pre-commit-ci[bot]
closed
2 years ago
1
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