From 13292d3bde7eed6e5c8a9d7d04dd0657cf152671 Mon Sep 17 00:00:00 2001 From: JBGreisman Date: Sat, 24 Aug 2024 06:39:02 -0400 Subject: [PATCH] Fixes #231: Add description of columns returned by `rs.read_crystfel()` --- reciprocalspaceship/io/crystfel.py | 15 ++++++++++++++- 1 file changed, 14 insertions(+), 1 deletion(-) diff --git a/reciprocalspaceship/io/crystfel.py b/reciprocalspaceship/io/crystfel.py index 080d4c90..6d98471e 100644 --- a/reciprocalspaceship/io/crystfel.py +++ b/reciprocalspaceship/io/crystfel.py @@ -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) @@ -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")