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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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12
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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
`DataSet.write_mtz()` should not move unmerged reflections to reciprocal ASU
#111
JBGreisman
closed
2 years ago
2
`DataSet.write_mtz()` with unmerged DataSet moves reflections to ASU
#110
JBGreisman
closed
2 years ago
0
Update dependency gemmi to >=0.4.2, <=0.5.0
#109
renovate[bot]
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#108
pre-commit-ci[bot]
closed
2 years ago
1
Add publication to README
#107
JBGreisman
closed
2 years ago
1
Update dependency pandas to >=1.2.0, <=1.3.4
#106
renovate[bot]
closed
2 years ago
1
add anomalous flag to rs.algorightms.merge
#105
kmdalton
closed
2 years ago
1
DataSet.select_dtypes does not support custom dtypes
#104
kmdalton
closed
2 years ago
2
MTZ data set hierarchy?
#103
DHekstra
closed
2 years ago
2
Allow custom suffix specification for `DataSet.stack_anomalous()`
#102
dennisbrookner
closed
2 years ago
2
Add python 3.10 to test suite for github actions
#101
JBGreisman
closed
2 years ago
3
`DataSet.stack_anomalous()` should accept suffixes as alternatives to full column specification
#100
dennisbrookner
closed
2 years ago
3
Ensure consistent column ordering in `DataSet.unstack_anomalous()`
#99
JBGreisman
closed
2 years ago
6
Update dependency gemmi to >=0.4.2, <=0.4.9
#98
renovate[bot]
closed
2 years ago
1
stack/unstack_anomalous roundtrip does not work
#97
kmdalton
closed
2 years ago
4
[pre-commit.ci] pre-commit autoupdate
#96
pre-commit-ci[bot]
closed
2 years ago
1
[pre-commit.ci] pre-commit autoupdate
#95
pre-commit-ci[bot]
closed
2 years ago
1
Add decorators for gemmi argument checking
#94
JBGreisman
closed
2 years ago
2
Update dependency pandas to >=1.2.0, <=1.3.3
#93
renovate[bot]
closed
2 years ago
1
[Feature Request] gemmification decorators
#92
kmdalton
closed
2 years ago
1
change crystfel parser stddev key to 'SigI'
#91
kmdalton
closed
2 years ago
1
Fix reversion in dataset.py (#87)
#90
JBGreisman
closed
2 years ago
0
Update pre-commit hook PyCQA/isort to v5.9.3
#89
renovate[bot]
closed
2 years ago
1
Update dependency gemmi to >=0.4.2, <=0.4.8
#88
renovate[bot]
closed
3 years ago
1
use gemmi for DataSet.compute_dHKL
#87
kmdalton
closed
3 years ago
0
Standardize code style using black
#86
JBGreisman
closed
2 years ago
2
Dependency Dashboard
#85
renovate[bot]
closed
3 years ago
0
Pre commit + autofixes
#84
ianhi
closed
3 years ago
1
use correct hkl resolution limits
#83
kmdalton
closed
3 years ago
1
Action Required: Fix Renovate Configuration
#82
renovate[bot]
closed
2 years ago
0
Update codecov/codecov-action action to v2
#81
renovate[bot]
closed
3 years ago
1
Update actions/setup-python action to v2
#80
renovate[bot]
closed
3 years ago
1
Configure Renovate
#79
renovate[bot]
closed
3 years ago
0
Add Support for Reading DIALS `refl` Files
#78
kmdalton
opened
3 years ago
4
Pandas 1.3.0 (but not 1.3.1) support on purpose?
#77
Anthchirp
closed
3 years ago
7
Added convenience function to remove systematic absences
#76
kmdalton
closed
3 years ago
1
added an angle_between function to rs.utils
#75
kmdalton
closed
3 years ago
2
add support for generators to rs.concat
#74
kmdalton
closed
3 years ago
1
Compute the angular Ewald offset when loading streams
#73
kmdalton
closed
3 years ago
2
Modify Crystfel Stream Parser to Return Pixel Coordinates
#72
kmdalton
closed
3 years ago
0
Update reciprocalspaceship to support pandas 1.3.0
#71
JBGreisman
closed
3 years ago
0
Add rs.read_pickle() helper method
#70
JBGreisman
closed
3 years ago
1
keeping track of parent spacegroup symop?
#69
DHekstra
closed
3 years ago
3
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