Jack Greisman
Jack Greisman
The `StreamLoader` class provided by #216 to speed up the parsing of stream files may provide the info you want in a cleaner way. I'm not exactly sure what data...
Is this still desirable, or has the update to `rs.read_crystfel()` addressed this request?
I agree with the sentiment here, and there are a few cases that should be easy to handle unambiguously. For example, when there is a single `[I, SigI]` or a...
Yep, I think it's a reasonable assumption that if a structure factor column and a stddev column are in order, that they should be kept together (same goes for intensity+stddev).
Yes -- this is currently unsupported because of the line you mentioned. If one-column anomalous data is provided, it should be sufficient to just skip the call the `p1.expand_anomalous()`, but...
I think we can make the interface work intuitively without the need for `anomalous=[True|False]`. I think the following should work, but let me know if you think I'm missing something:...
Although the example given uses `rs.DataSeries`, this is really an issue with the call signature for `rs.DataSet.reset_index()` (this can be seen in the TypeError message in the provided example). When...
This feels like an issue with groupby-apply in pandas -- it's possible that the `_metadata` fields aren't being propagated to the result. This works as expected with the built in...
I'm not quite sure I understand the distinction between red/black entries in the [CCP4 table](http://legacy.ccp4.ac.uk/html/alternate_origins.html) linked by @wojdyr. @apeck12's function for generating possible alternate origins seems to agree nicely with...
This has been dormant for a while, but I just wanted to summarize where I think things stand: - Non-polar spacegroups: we can use the function above written by @apeck12...