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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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keeping track of parent spacegroup symop?
#69
DHekstra
closed
3 years ago
3
Fix behavior of rs.utils.generate_reciprocal_asu() with anomalous flag
#68
JBGreisman
closed
3 years ago
2
mostly vectorized phase restriction calculation
#67
kmdalton
closed
3 years ago
2
Add documentation for rs.utils functions to Developers section
#66
JBGreisman
closed
3 years ago
1
Add support for anomalous data to DataSet.to_reciprocalgrid()
#65
JBGreisman
opened
3 years ago
5
Add complex structure factor support to DataSet.hkl_to_asu()
#64
JBGreisman
closed
3 years ago
1
Fix sign of phase shift in DataSet.apply_symop
#63
JBGreisman
closed
3 years ago
5
Change internals for representing float32-backed data
#62
JBGreisman
closed
3 years ago
0
dtypes are inconsistent throughout rs.utils
#61
kmdalton
opened
3 years ago
1
Adding a Stats Module and Multiplicity Calculator
#60
kmdalton
closed
3 years ago
5
Add a function to compute completeness
#59
kmdalton
closed
2 years ago
8
Adding methods for interconverting wavelength and energy
#58
kmdalton
closed
3 years ago
2
Add method to compute normalized structure factors
#57
JBGreisman
closed
2 years ago
1
name 'read_crystfel' is not defined, on version 0.9.5
#56
afvallejos
closed
3 years ago
2
clearer error message in `to_gemmi`
#55
kmdalton
closed
3 years ago
1
Not possible to pickle a rs.DataSet
#54
JBGreisman
closed
3 years ago
4
broken URL
#53
DHekstra
closed
3 years ago
2
Add example notebooks' dependencies to dev install
#52
JBGreisman
closed
3 years ago
1
Clean up rs.read_precognition()
#51
JBGreisman
closed
3 years ago
0
Add crystfel streams to `rs/io` module
#50
marinegor
closed
3 years ago
6
Add license file to manifest
#49
Anthchirp
closed
3 years ago
1
Chevychase
#48
kmdalton
closed
3 years ago
1
Add DataSet.centrics and DataSet.acentrics accessors
#47
JBGreisman
closed
3 years ago
0
will no longer fail for insanely small i/sigma
#46
kmdalton
closed
3 years ago
1
Frenched wilson
#45
kmdalton
closed
3 years ago
0
Add example using pytorch to assess error models during merging
#44
JBGreisman
closed
3 years ago
0
Update "dev" install to include dependencies for example notebooks
#43
JBGreisman
closed
3 years ago
0
Update to support Pandas 1.2.0
#42
JBGreisman
closed
3 years ago
1
Add a redundancy column to rs.algorithms.merge() output
#41
DHekstra
closed
3 years ago
1
Add rs.read_csv() to construct DataSet from CSV file
#40
JBGreisman
closed
3 years ago
1
create empty DataSet from another one?
#39
DHekstra
closed
3 years ago
1
Update 5_timeresolvedPYP.ipynb
#38
dennisbrookner
closed
3 years ago
2
Error in `algorithms.merge()` or (more likely) a helper function
#37
dennisbrookner
closed
3 years ago
8
'pip install reciprocalspaceship' fails in a python=3.9 env on macOS
#36
minhuanli
closed
3 years ago
10
Add function for writing CCP4 maps from NumPy arrays
#35
JBGreisman
closed
3 years ago
1
adding calculation for centric phase residual
#34
apeck12
closed
3 years ago
1
Invoking to_numpy on 2D array returns object dtype
#33
kmdalton
closed
2 years ago
3
There should be an rs.read_csv method
#32
kmdalton
closed
3 years ago
1
Align Phases of Isomorphous Structures
#31
kmdalton
opened
3 years ago
26
Add merging function to rs.algorithms
#30
JBGreisman
closed
3 years ago
1
Fix handling of centrics in DataSet.hkl_to_asu(anomalous=True)
#29
JBGreisman
closed
3 years ago
0
Handle centric reflections and unmerged data in stack_anomalous() and unstack_anomalous()
#28
JBGreisman
closed
3 years ago
0
DataSet.stack_anomalous() should not stack centric reflections
#27
JBGreisman
closed
3 years ago
1
DataSet.stack_anomalous() and DataSet.unstack_anomalous() should not handle unmerged DataSets
#26
JBGreisman
closed
3 years ago
0
DataSet.hkl_to_asu(anomalous=True) should map centric reflections to Friedel-plus ASU
#25
JBGreisman
closed
3 years ago
0
Improve handling of DataSet._index_dtypes
#24
JBGreisman
closed
3 years ago
0
Rename private attribute _cache_index_dtypes
#23
JBGreisman
closed
3 years ago
0
_cache_index_dtypes reads like a method name
#22
kmdalton
closed
3 years ago
1
rs.DataSet constructor doesn't populate _cache_index_dtypes
#21
kmdalton
closed
3 years ago
4
Add anomalous flag to DataSet.hkl_to_asu()
#20
JBGreisman
closed
3 years ago
0
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