rs-station/reciprocalspaceship issues and pull requests

#287 - Pandas Deprecation Warnings

Issue - State: open - Opened by kmdalton about 2 months ago

#286 - add hkls attribute rs.DataSet

Pull Request - State: closed - Opened by kmdalton 2 months ago - 2 comments

#285 - Deprecated `DataSet.to_reciprocalgrid()` should call `DataSet.to_reciprocal_grid()`

Pull Request - State: closed - Opened by JBGreisman 2 months ago - 1 comment
Labels: API

#284 - chore(deps): update dependency gemmi to >=0.5.5, <=0.7.0

Pull Request - State: open - Opened by renovate[bot] 2 months ago - 8 comments
Labels: version

#283 - Add cifdump CLI utility

Pull Request - State: closed - Opened by jrobsontull 2 months ago - 4 comments

#282 - Proposal: `Map` object

Issue - State: open - Opened by tjlane 3 months ago - 3 comments
Labels: wishlist

#281 - Update codecov/codecov-action action to v5

Pull Request - State: closed - Opened by renovate[bot] 3 months ago
Labels: version

#280 - add python 3.13 to build workflow

Pull Request - State: open - Opened by kmdalton 3 months ago - 2 comments

#279 - Fix is_isomorphous

Pull Request - State: closed - Opened by kmdalton 3 months ago - 4 comments

#278 - codecov is broken

Issue - State: closed - Opened by kmdalton 3 months ago - 1 comment
Labels: bug

#277 - bug in `is_isomorphous` cell comparison

Issue - State: closed - Opened by tjlane 3 months ago - 3 comments
Labels: bug

#276 - pyproject.toml

Pull Request - State: closed - Opened by tjlane 3 months ago - 2 comments

#275 - Documentation Build Failing

Issue - State: closed - Opened by kmdalton 3 months ago - 2 comments

#274 - bump version

Pull Request - State: closed - Opened by kmdalton 3 months ago

#273 - add python 3.12 support

Pull Request - State: closed - Opened by kmdalton 3 months ago - 2 comments
Labels: bug

#272 - `pkg_resources` no longer in `python3.12+`

Issue - State: closed - Opened by tjlane 3 months ago - 2 comments

#271 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 4 months ago

#270 - Update dependency pandas to >=2.2.2, <=2.2.3

Pull Request - State: closed - Opened by renovate[bot] 5 months ago
Labels: version

#269 - Update dependency gemmi to >=0.5.5, <=0.6.7

Pull Request - State: closed - Opened by renovate[bot] 5 months ago
Labels: version

#268 - Add description of columns returned by `rs.read_crystfel()`

Pull Request - State: closed - Opened by JBGreisman 6 months ago
Labels: documentation

#267 - Refactor Ray contextmanager

Issue - State: open - Opened by kmdalton 6 months ago

#266 - Update `rs.DataSet.reset_index()` call signature to matches `pandas >v1.5`

Pull Request - State: closed - Opened by JBGreisman 6 months ago - 2 comments
Labels: bug, API, version

#265 - Add support for range indexed data in `DataSet.write_mtz()` and `DataSet.to_gemmi()`

Pull Request - State: closed - Opened by JBGreisman 6 months ago - 1 comment
Labels: bug

#264 - adds script to import cctbx data to rs

Pull Request - State: closed - Opened by dermen 6 months ago - 21 comments

#263 - Bump version to 1.0.2 to prepare for release

Pull Request - State: closed - Opened by JBGreisman 6 months ago
Labels: version

#262 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 6 months ago

#261 - Restore Numpy v1 Support

Pull Request - State: closed - Opened by kmdalton 8 months ago

#260 - Parallel Stream File Parsing with ray.io

Pull Request - State: closed - Opened by kmdalton 8 months ago - 9 comments
Labels: performance

#259 - Is numeric na

Pull Request - State: closed - Opened by kmdalton 8 months ago - 2 comments

#258 - enable numpy 2.0 support

Pull Request - State: closed - Opened by kmdalton 8 months ago

#257 - add manual trigger for build

Pull Request - State: closed - Opened by kmdalton 8 months ago - 2 comments

#256 - set maximum numpy version to <2.0

Pull Request - State: closed - Opened by kmdalton 8 months ago - 2 comments

#255 - RS requires set_index(["H","K","L"]) to create a multi_index using rs.DataSet

Issue - State: closed - Opened by DHekstra 8 months ago - 5 comments
Labels: bug

#254 - Failure to correctly read Miller indices from cctbx-generated MTZ

Issue - State: closed - Opened by DHekstra 8 months ago - 8 comments

#253 - Update dependency gemmi to >=0.5.5, <=0.6.6

Pull Request - State: closed - Opened by renovate[bot] 9 months ago
Labels: version

#252 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 9 months ago

#251 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 10 months ago

#250 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 10 months ago

#249 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 11 months ago

#248 - write_mtz SettingWithCopyWarning

Issue - State: closed - Opened by DHekstra 11 months ago - 2 comments

#247 - support **kwargs in gemmification decoratored fn

Pull Request - State: closed - Opened by kmdalton 11 months ago
Labels: bug

#246 - Use einsum in weighted_pearsonr

Pull Request - State: closed - Opened by kmdalton 12 months ago
Labels: enhancement, performance

#245 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] 12 months ago

#244 - Update dependency gemmi to >=0.5.5, <=0.6.5

Pull Request - State: closed - Opened by renovate[bot] 12 months ago
Labels: version

#243 - Update codecov/codecov-action action to v4

Pull Request - State: closed - Opened by renovate[bot] about 1 year ago
Labels: version

#242 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago - 1 comment

#241 - Update dependency pandas to support pandas v2.2.2

Pull Request - State: closed - Opened by renovate[bot] about 1 year ago - 2 comments
Labels: version

#240 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago - 1 comment

#239 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago - 1 comment

#238 - mean_intensity_by_miller_index should use a grid

Issue - State: open - Opened by kmdalton about 1 year ago - 1 comment

#237 - Support clipping Sigma to avoid negative values in French-Wilson method

Pull Request - State: closed - Opened by DHekstra about 1 year ago - 10 comments
Labels: API, enhancement

#236 - Update dependency gemmi to >=0.5.5, <=0.6.4

Pull Request - State: closed - Opened by renovate[bot] about 1 year ago - 1 comment
Labels: version

#235 - clip I for Sigma calc

Pull Request - State: closed - Opened by DHekstra about 1 year ago - 3 comments

#234 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago

#233 - Update actions/setup-python action to v5

Pull Request - State: closed - Opened by renovate[bot] about 1 year ago - 1 comment
Labels: version

#232 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] about 1 year ago - 1 comment

#231 - No documentation of CrystFEL columns

Issue - State: closed - Opened by kmdalton about 1 year ago - 1 comment
Labels: good first issue, documentation

#230 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment

#229 - A `rs.cifdump` utility?

Issue - State: closed - Opened by dennisbrookner over 1 year ago - 2 comments
Labels: good first issue, enhancement

#228 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago

#227 - Used pandas.core.ops attribute does not appear to exist

Issue - State: open - Opened by PrinceWalnut over 1 year ago - 3 comments

#226 - Update codecov/codecov-action action to v4 - autoclosed

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago
Labels: version

#225 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment

#224 - Update dependency gemmi to >=0.5.5, <=0.6.3

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 1 comment
Labels: version

#223 - `rs.DataSet.reset_index()` call signature does not match pandas >1.5

Issue - State: closed - Opened by kmdalton over 1 year ago - 1 comment
Labels: bug, API, version

#222 - Update actions/checkout action to v4

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago
Labels: version

#221 - Update dependency pandas to >=2.0.0, <=2.1.4

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 8 comments
Labels: version

#220 - Add python 3.11 to build tests

Pull Request - State: closed - Opened by JBGreisman over 1 year ago - 1 comment
Labels: version

#219 - Fixes #194: Update rs.utils.in_asu() docstring to clarify behavior

Pull Request - State: closed - Opened by JBGreisman over 1 year ago - 1 comment
Labels: documentation

#218 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 1 year ago - 1 comment

#217 - Added .read_cif() function and test file test_cif.py

Pull Request - State: closed - Opened by LuisA92 over 1 year ago - 1 comment
Labels: API

#216 - Faster parser for CrystFEL stream files

Pull Request - State: closed - Opened by kmdalton over 1 year ago - 12 comments
Labels: performance

#215 - add_rfree() does not consider Friedel mates

Issue - State: closed - Opened by DHekstra over 1 year ago - 2 comments
Labels: enhancement

#214 - Update dependency gemmi to >=0.5.5, <=0.6.2

Pull Request - State: closed - Opened by renovate[bot] over 1 year ago - 1 comment
Labels: version

#213 - Return keys of dictionary in crystfel.py

Issue - State: open - Opened by DHekstra over 1 year ago - 8 comments

#212 - Update dependency gemmi to >=0.5.5, <=0.6.1

Pull Request - State: closed - Opened by renovate[bot] almost 2 years ago - 1 comment
Labels: version

#211 - Update dependency pandas to v2

Pull Request - State: closed - Opened by renovate[bot] almost 2 years ago - 3 comments
Labels: version

#210 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago

#209 - Update dependency gemmi to >=0.5.5, <=0.6.0

Pull Request - State: closed - Opened by renovate[bot] almost 2 years ago
Labels: version

#208 - Upgrade sphinx version by removing sphinx_panels dependency

Pull Request - State: closed - Opened by JBGreisman almost 2 years ago - 2 comments
Labels: documentation

#207 - Add GitHub Action for testing documentation build during pull requests

Pull Request - State: closed - Opened by JBGreisman almost 2 years ago - 1 comment
Labels: documentation

#206 - API reference website display

Issue - State: closed - Opened by DHekstra almost 2 years ago
Labels: documentation

#205 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] almost 2 years ago - 1 comment

#204 - unstack_anomalous makes data that phenix cannot interpret

Issue - State: open - Opened by kmdalton almost 2 years ago - 3 comments

#203 - Update dependency jinja2 to <3.1.3

Pull Request - State: closed - Opened by renovate[bot] about 2 years ago - 2 comments
Labels: version

#202 - Fix documentation build by lowering jinja2 version

Pull Request - State: closed - Opened by JBGreisman about 2 years ago - 2 comments
Labels: bug, documentation

#201 - Update dependency gemmi to >=0.5.5, <=0.5.8

Pull Request - State: closed - Opened by renovate[bot] about 2 years ago - 1 comment
Labels: version

#200 - support for read_precognition() for hkl without anomalous columns

Issue - State: closed - Opened by DHekstra about 2 years ago - 6 comments

#199 - Update broken MIT license badge in README.md

Pull Request - State: closed - Opened by JBGreisman about 2 years ago - 1 comment
Labels: documentation

#198 - `hkl_to_asu` does not annotate M/ISYM field correctly

Issue - State: closed - Opened by ziyuanzhao2000 about 2 years ago - 2 comments

#197 - Update example interactive maps to point to rs-station

Pull Request - State: closed - Opened by JBGreisman about 2 years ago
Labels: bug, documentation

#196 - Update all links in reciprocalspaceship for transfer to rs-station org

Pull Request - State: closed - Opened by JBGreisman about 2 years ago
Labels: documentation

#195 - function for cif file IO and possible support for multi-dataset files

Issue - State: closed - Opened by minhuanli about 2 years ago - 3 comments
Labels: API, wishlist

#194 - rs.utils.asu.in_asu() does not use the 'anomalous ASU' for stacked anomalous data.

Issue - State: closed - Opened by DHekstra over 2 years ago - 1 comment
Labels: documentation

#193 - Unstack anomalous taking into account Careless repeats

Issue - State: closed - Opened by DHekstra over 2 years ago - 10 comments

#192 - `stack_anomalous` inside `groupby` breaks `as_index=False`

Issue - State: open - Opened by kmdalton over 2 years ago - 1 comment

#191 - groupby apply drops cell and spacegroup

Issue - State: open - Opened by kmdalton over 2 years ago - 2 comments
Labels: bug

#190 - Cannot unstack_anomalous with other columns in index

Issue - State: open - Opened by kmdalton over 2 years ago

#189 - add `rs.utils.weighted_pearsonr` and tests

Pull Request - State: closed - Opened by kmdalton over 2 years ago - 1 comment

#188 - [pre-commit.ci] pre-commit autoupdate

Pull Request - State: closed - Opened by pre-commit-ci[bot] over 2 years ago - 1 comment

GitHub / rs-station/reciprocalspaceship issues and pull requests