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rs-station
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reciprocalspaceship
Tools for exploring reciprocal space
https://rs-station.github.io/reciprocalspaceship/
MIT License
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11
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Update actions/setup-python action to v4
#161
renovate[bot]
closed
2 years ago
0
Use gemmi method to implement `rs.utils.compute_structurefactor_multiplicity()`
#160
JBGreisman
closed
2 years ago
1
`rs.utils.copy_rfree()` should take `rfree_key` argument
#159
dennisbrookner
closed
1 year ago
1
Update dependency gemmi to >=0.5.5, <=0.5.5
#158
renovate[bot]
closed
2 years ago
2
Add interface for setting project, crystal, and dataset names
#157
JBGreisman
closed
2 years ago
3
Add function to convert structure factor amplitudes to intensities to `algorithms` submodule
#156
dennisbrookner
closed
2 years ago
6
pandas version issue?
#155
DHekstra
closed
2 years ago
4
support ccp4 convention in add_rfree function
#154
minhuanli
closed
2 years ago
3
Fix DataSeries test that generates a FutureWarning
#153
JBGreisman
closed
2 years ago
0
Speed up `DataSet.expand_to_p1()` by removing for loop
#152
JBGreisman
closed
2 years ago
0
pushing intensity.py and associated test
#151
dennisbrookner
closed
2 years ago
7
Add `DataSet.select_mtzdtype()` to subset `DataSet` by MTZ column type
#150
JBGreisman
closed
2 years ago
3
Remove `DataSet.append()` due to upcoming deprecation in Pandas
#149
JBGreisman
closed
2 years ago
1
Converting Structure Factors to Intensities
#148
kmdalton
closed
2 years ago
7
Update documentation links to CCP4 MTZ column-types
#147
JBGreisman
closed
2 years ago
1
Remove support for `DataSet.append()` due to pandas deprecation
#146
JBGreisman
closed
2 years ago
0
Allow integer-backed columns with NaNs to be converted to float dtype
#145
JBGreisman
closed
2 years ago
1
Integer-backed columns with NaNs cannot be converted to float dtype
#144
JBGreisman
closed
2 years ago
1
Update dependency gemmi to >=0.4.2, <=0.5.4
#143
renovate[bot]
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#142
pre-commit-ci[bot]
closed
2 years ago
1
broken URL
#141
DHekstra
closed
2 years ago
1
Update codecov/codecov-action action to v3
#140
renovate[bot]
closed
2 years ago
0
Update dependency pandas to >=1.2.0, <=1.4.2
#139
renovate[bot]
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#138
pre-commit-ci[bot]
closed
2 years ago
0
Update dependency gemmi to >=0.5.3, <=0.5.3
#137
renovate[bot]
closed
2 years ago
0
Fixed `read_precognition()` as per #135 and updated tests
#136
dennisbrookner
closed
2 years ago
4
`rs.read_precognition()`: Update docstring and set `spacegroup` after parsing log
#135
JBGreisman
closed
2 years ago
3
Adding a warning to apply_symop()
#134
DHekstra
closed
1 year ago
4
Update actions/checkout action to v3
#133
renovate[bot]
closed
2 years ago
1
Update actions/setup-python action to v3
#132
renovate[bot]
closed
2 years ago
0
[pre-commit.ci] pre-commit autoupdate
#131
pre-commit-ci[bot]
closed
2 years ago
1
Update dependency gemmi to >=0.4.2, <=0.5.2
#130
renovate[bot]
closed
2 years ago
0
[pre-commit.ci] pre-commit autoupdate
#129
pre-commit-ci[bot]
closed
2 years ago
1
Raise ValueError when stack_anomalous() will result in duplicate column names
#128
dennisbrookner
closed
2 years ago
1
Update dependency pandas to >=1.2.0, <=1.4.1
#127
renovate[bot]
closed
2 years ago
2
DataSet.stack_anomalous Fails for duplicate column names
#126
kmdalton
closed
2 years ago
3
Defer pytorch installation to example notebook to speed up binder launch
#125
JBGreisman
closed
2 years ago
1
Add `[examples]` dependencies to simplify installation for binder
#124
JBGreisman
closed
2 years ago
0
Launching Binder is _really_ slow.
#123
kmdalton
closed
2 years ago
10
[pre-commit.ci] pre-commit autoupdate
#122
pre-commit-ci[bot]
closed
2 years ago
1
Update dependency pandas to >=1.2.0, <=1.3.5
#121
renovate[bot]
closed
2 years ago
1
Update r-lib/actions action to v2
#120
renovate[bot]
closed
2 years ago
0
Update dependency gemmi to >=0.4.2, <=0.5.1
#119
renovate[bot]
closed
2 years ago
1
Add `stats` submodule with `compute_completeness()` function
#118
JBGreisman
closed
2 years ago
4
Remove support for Python 3.7
#117
JBGreisman
closed
2 years ago
0
[pre-commit.ci] pre-commit autoupdate
#116
pre-commit-ci[bot]
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#115
pre-commit-ci[bot]
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#114
pre-commit-ci[bot]
closed
2 years ago
1
vectorize utils.in_asu
#113
kmdalton
closed
2 years ago
0
[pre-commit.ci] pre-commit autoupdate
#112
pre-commit-ci[bot]
closed
2 years ago
1
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