reciprocalspaceship 0.9.16

What's Changed

• #91 change crystfel parser stddev key to 'SigI'
• minor version updates for dependencies
• #94 Add decorators for gemmi argument checking
• #99 Ensure consistent column ordering in DataSet.unstack_anomalous()

Full Changelog: v0.9.15...v0.9.16

reciprocalspaceship 0.9.15

• Update gemmi support to 0.4.8
• #86 Standardize code style
• #87, #90 Improve consistency of DataSet.compute_dHKL()

reciprocalspaceship 0.9.14

• #83 Fix bug in generating reciprocal space ASU

reciprocalspaceship 0.9.13

• #76 Add convenience function for removing systematic absences
• Adjust supported pandas version to 1.3.2

reciprocalspaceship 0.9.12

• #74 Add support for generators in rs.concat()
• #75 Improve numerical stability of angular ewald offset calculation in rs.read_crystfel()

reciprocalspaceship 0.9.11

• #71 Support Pandas v1.3
• #72 #73 Update CrystFEL stream parser to return additional metadata

reciprocalspaceship 0.9.10

• #63 Fix sign of phase shifts in DataSet.apply_symop()
• #64 Apply phase shifts to complex structure factors
• #68 Fix implementation of rs.utils.generate_reciprocal_asu()
• #70 Add rs.read_pickle() helper function
• #71 Support pandas 1.3.0

reciprocalspaceship 0.9.9

Fix issue with NaNs when creating float32 arrays

reciprocalspaceship 0.9.8

Update minimal supported pandas version to 1.2.0

reciprocalspaceship 0.9.7

• #58 Add methods for converting between wavelength and energy
• #60 Add stats module for computing redundancy of observed reflections and completeness
• #62 Change internals for float32-backed dtypes to improve performance