v0.1.2

What's Changed

• allow nonstandard settings for space groups by @kmdalton in #45
• Add --ignore-isomorphism flag to rs.scaleit by @dennisbrookner in #47

Full Changelog: v0.1.1...v0.1.2

v0.1.1 Various Improvements

What's Changed

• bugfix in rs.find_peaks and rs.find_difference_peaks
• more consistent parsing for rs.cc scripts
• improved functionality in rs.extrapolate
• added rs.rfree function for generating Rfree flags

Full Changelog: v0.0.4...v0.1.1

rs-booster 0.1.0

Announcement

• This is the first release from the new rs-station GitHub organization. The change should be seamless -- the PyPI release should be made for rs-booster 0.1.0 without any issues -- but please file an Issue if anything surprising happens.

What's Changed

• Add wDF column for improved visualization of diffmaps in PyMOL by @JBGreisman in #21
• Add automated testing to rs-booster by @JBGreisman in #22
• Update Hekstra-Lab organization references to rs-station by @JBGreisman in #23

Full Changelog: v0.0.4...v0.1.0

rs-booster 0.0.4

What's Changed

• Add command line script for making extrapolated structure factors by @JBGreisman in #1
• Add commandline tools for scaleit and internal difference maps by @JBGreisman in #2
• Add efxtools.ccsym for computing CCsym across a given symmetry operation by @JBGreisman in #3
• Update API of efxtools.internal_diffmap to parallel efxtools.scaleit by @JBGreisman in #4
• Ordinary diffmaps by @JBGreisman in #5
• Update with CCpred calculation by @JBGreisman in #6
• Precog2mtz by @kmdalton in #7
• Add CCanom calculation from careless output by @JBGreisman in #10
• added peakfinding utility by @kmdalton in #8
• add element column to peak_report by @kmdalton in #12
• Update the README by @kmdalton in #13
• Add CChalf calculation to stats by @JBGreisman in #14
• Migrate namespace to support name change to rs-booster by @JBGreisman in #15
• Setup rs-booster package for PyPI release by @JBGreisman in #16
• Add GitHub action for pubilshing to PyPI by @JBGreisman in #17

New Contributors

• @JBGreisman made their first contribution in #1
• @kmdalton made their first contribution in #7

Full Changelog: https://github.com/Hekstra-Lab/rs-booster/commits/v0.0.4