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Fixes #231: Add description of columns returned by rs.read_crystfel()
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JBGreisman committed Aug 24, 2024
1 parent 1979862 commit 13292d3
Showing 1 changed file with 14 additions and 1 deletion.
15 changes: 14 additions & 1 deletion reciprocalspaceship/io/crystfel.py
Original file line number Diff line number Diff line change
Expand Up @@ -510,7 +510,8 @@ def read_crystfel(
The default list is:
[ "H", "K", "L", "I", "SigI", "BATCH", "s1x", "s1y", "s1z", "ewald_offset",
"angular_ewald_offset", "XDET", "YDET" ]
See `rs.io.crystfel.StreamLoader().available_column_names` for a list of available column names.
See `rs.io.crystfel.StreamLoader().available_column_names` for a list of available
column names and *Notes* for a description of the returned columns
parallel : bool (optional)
Read the stream file in parallel using [ray.io](https://docs.ray.io) if it is available.
num_cpus : int (optional)
Expand All @@ -524,6 +525,18 @@ def read_crystfel(
Returns
--------
rs.DataSet
Notes
-----
The following columns are included in the returned DataSet object:
- H, K, L: Miller indices of each reflection
- I, SigI: Intensity and associated uncertainty
- BATCH: Image number
- s1x, s1y, s1z: scattered beam wavevector which points from the sample to the bragg peak
- ewald_offset: the distance in cartesian space (1/angstroms) between the observed reflection and the ewald sphere
- angular_ewald_offset: the distance in polar coordinates (degrees) between the observed reflection and the ewald sphere
- XDET, YDET: Internal detector panel coordinates
"""
if not streamfile.endswith(".stream"):
raise ValueError("Stream file should end with .stream")
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