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It would be helpful to optionally return the keys of the dictionary that `_parse_stream` in `io/crystfel.py` produces when calling `rs.read_crystfel`. My use case is working with stream files produced…
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Perhaps starting from something like this:
```
import sys
from dials.array_family import flex
import pandas as pd
r = flex.reflection_table.from_file(sys.argv[1])
data = { }
for k in…
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I think it is worthwhile to consider a python API for `rs-booster` analogous to its command-line functionalities. I know that this would be useful and preferable for me, and I have discussed this with…
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Installing `rs` from pypi with the following:
```bash
conda create -n rs python=3.10
pip install --upgrade pip
pip install reciprocalspaceship
```
I have `rs=0.10.3` and `pandas=1.4.4`.
```p…
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Many space groups have degenerate choices of origins. Some have only a small number (ie 2) possible origins. Whereas others have a continuum of origins along one or more axis. These are called polar s…
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Posting here in case others have solutions.
TL;DR Install works under python 3.8
### Details
* MacOS 11.5 (M1 chip)
* Python version 3.9.12 (installed via conda)
* Pip 22.0.4
```
pip cach…
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I very frequently work with reflection data in Python using [reciprocalspaceship](https://github.com/Hekstra-Lab/reciprocalspaceship) and [gemmi](https://github.com/project-gemmi/gemmi), and one of my…
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One of the goals of `reciprocalspaceship` is to make it easier to compare datasets in reciprocal space. For some spacegroups, indexing ambiguities can confound such comparisons. We should add some fun…
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In the `matchmaps` quickstart guide, I recommend using the `rs.mtzdump` utility to figure out what the columns in your dataset are called. However, now that `matchmaps` also supports `cif` inputs, I'm…