Reciprocalspaceship

Latest version: v1.0.1

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08.7

- Update to minimal Pandas to 1.1
- Improve handling of unmerged MTZ files

1.2.0

1.0.1

What's Changed
* Update broken MIT license badge in README.md by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/199
* Update dependency gemmi to >=0.5.5, <=0.5.8 by renovate in https://github.com/rs-station/reciprocalspaceship/pull/201
* Fix documentation build by lowering jinja2 version by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/202
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/rs-station/reciprocalspaceship/pull/205
* Add GitHub Action for testing documentation build during pull requests by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/207
* Upgrade sphinx version by removing sphinx_panels dependency by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/208
* Update dependency gemmi to >=0.5.5, <=0.6.0 by renovate in https://github.com/rs-station/reciprocalspaceship/pull/209
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/rs-station/reciprocalspaceship/pull/210
* Update dependency gemmi to >=0.5.5, <=0.6.1 by renovate in https://github.com/rs-station/reciprocalspaceship/pull/212
* Update dependency gemmi to >=0.5.5, <=0.6.2 by renovate in https://github.com/rs-station/reciprocalspaceship/pull/214
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/rs-station/reciprocalspaceship/pull/218
* Update dependency pandas to v2 by renovate in https://github.com/rs-station/reciprocalspaceship/pull/211
* Fixes 194: Update rs.utils.in_asu() docstring to clarify behavior by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/219
* Add python 3.11 to build tests by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/220
* Added .read_cif() function and test file test_cif.py by LuisA92 in https://github.com/rs-station/reciprocalspaceship/pull/217
* Update actions/checkout action to v4 by renovate in https://github.com/rs-station/reciprocalspaceship/pull/222

New Contributors
* LuisA92 made their first contribution in https://github.com/rs-station/reciprocalspaceship/pull/217

**Full Changelog**: https://github.com/rs-station/reciprocalspaceship/compare/v1.0.0...v1.0.1

1.0.0

reciprocalspaceship has a new home at rs-station!

What's Changed
* Add return_edges argument to DataSet.assign_resolution_bins() by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/187
* add `rs.utils.weighted_pearsonr` and tests by kmdalton in https://github.com/rs-station/reciprocalspaceship/pull/189
* Update all links in reciprocalspaceship for transfer to rs-station org by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/196
* Update example interactive maps to point to rs-station by JBGreisman in https://github.com/rs-station/reciprocalspaceship/pull/197


**Full Changelog**: https://github.com/rs-station/reciprocalspaceship/compare/v0.10.3...v1.0.0

0.10.3

What's Changed
* Updated functionality for `add_rfree` and `copy_rfree` by dennisbrookner in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/170
* Handle symmetry ops that produce fractional HKLs in `apply_to_hkl()` by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/171
* Add `is_polar()` utility for classifying polar space groups by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/176
* Add `rs.utils.polar_axes()` for classifying which cell axes permit continuous origin shifts by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/177
* Add `is_polar()` and `polar_axes()` to utility functions docs by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/178
* Update dependency pandas to >=1.2.0, <=1.4.4 by renovate in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/180
* Add `sample_rate` and `dmin` arguments to `DataSet.to_reciprocalgrid()` by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/179
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/181
* `DataSet.to_numpy()` should use numpy dtypes whenever possible by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/182
* Add `DataSet.reindexing_ops` and `DataSet.find_twin_laws()` by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/183
* Update dependency gemmi to >=0.5.5, <=0.5.7 by renovate in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/186


**Full Changelog**: https://github.com/Hekstra-Lab/reciprocalspaceship/compare/v0.10.2...v0.10.3

0.10.2

What's Changed
* Add interface for setting project, crystal, and dataset names by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/157
* Update dependency gemmi to >=0.5.5, <=0.5.5 by renovate in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/158
* Use gemmi method to implement `rs.utils.compute_structurefactor_multiplicity()` by JBGreisman in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/160
* Add function to convert structure factor amplitudes to intensities to `algorithms` submodule by dennisbrookner in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/156
* Update dependency pandas to >=1.2.0, <=1.4.3 by renovate in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/163
* Add features to the add_rfree function by minhuanli in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/164

New Contributors
* minhuanli made their first contribution in https://github.com/Hekstra-Lab/reciprocalspaceship/pull/164

**Full Changelog**: https://github.com/Hekstra-Lab/reciprocalspaceship/compare/v0.10.1...v0.10.2

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