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rs-station/laue-dials
Laue programs print version information to terminal but not to log files

Including version information for DIALS + Laue-DIALS at the top of log files is useful for troubleshooting
  • PrinceWalnut
  • Opened 
    on Dec 5, 2024
  • #75

rs-station/laue-dials
`laue.optimize_indexing` should reset indexing flags

Some DIALS programs use the Indexed flag for producing diagnostics and processing. This is set during laue.index for initial monochromatic processing, but is not reset after laue.optimize_indexing, so ...
  • PrinceWalnut
  • Opened 
    on Nov 26, 2024
  • #74

rs-station/laue-dials
Diagnostic programs should have options to save raw data

Programs such as laue.plot_wavelengths should have options to save both figures (exists) and the raw data as arrays (does not exist).
  • PrinceWalnut
  • Opened 
    on Nov 26, 2024
  • #73

rs-station/laue-dials
Add dials.import docs online

Although not technically part of laue-dials, the dials.import command is the start of any Laue pipeline, so we should include documentation for it (or a reference to DIALS documentation).
  • PrinceWalnut
  • Opened 
    on Nov 26, 2024
  • #72

rs-station/laue-dials
tutorial for PYP example with non-consecutive images

The PYP dataset used in Dalton et al., 2022 is a nice example of a dataset in which rotation angles are non-consecutive--a data collection protocol used by some groups when the interesting angles may be ...
documentation
  • DHekstra
  • Opened 
    on Nov 23, 2024
  • #71

rs-station/laue-dials
[minor issue] consistent website interface for tutorials

It would be helpful to give https://rs-station.github.io/laue-dials/notebooks/pdz2/pdz2.html a similar set of links as https://rs-station.github.io/laue-dials/notebooks/hewl/hewl.html. Minor quality of ...
documentation
  • DHekstra
  • Opened 
    on Nov 23, 2024
  • #70

rs-station/laue-dials
Suggested name change for laue.optimize_indexing

We should change the name of laue.optimize_indexing to laue.assign to make it clearer what actually occurs. All calls in example scripts + notebooks will need to be changed accordingly.
  • PrinceWalnut
  • Opened 
    on Nov 22, 2024
  • #69

rs-station/laue-dials
Tutorial notebook mentions wrong dataset

The tutorial.ipynb notebook references a lysozyme data set but links to the DHFR data set. The DHFR data set is the correct one, so this tutorial should be updated to reference the correct data set.
  • PrinceWalnut
  • Opened 
    on Nov 21, 2024
  • #68

rs-station/laue-dials
allow zero macrocycles for laue.optimize_indexing

Assignment without changing the orientation of the crystal is useful both in practice and diagnostically. We should support n_macrocycles=0 in laue.optimize_indexing
  • kmdalton
  • 3
  • Opened 
    on Nov 20, 2024
  • #67

rs-station/laue-dials
cite paper and tutorials on front page

let s make sure to 1. cite at https://github.com/rs-station/laue-dials - the paper: https://pubs.aip.org/aca/sdy/article/11/5/054701/3315187/Laue-DIALS-Open-source-software-for-polychromatic ...
  • DHekstra
  • Opened 
    on Oct 14, 2024
  • #64
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