Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Let dials export to xds_ascii format for multi-dataset files #637

Closed
jbeilstenedmands opened this issue Oct 19, 2018 · 2 comments
Closed

Let dials export to xds_ascii format for multi-dataset files #637

jbeilstenedmands opened this issue Oct 19, 2018 · 2 comments
Assignees
@jbeilstenedmands
Labels
dials.export enhancement

Comments

@jbeilstenedmands
Copy link
Contributor

I has been suggested that the xds_ascii option in dials.export should allow exporting of multi-dataset files (mainly relevant for post-scaling), to support workflows where downstream processing uses files in this format. Both XDS and XSCALE write in xds_ascii format, so these files can support multiple datasets.
I shall ask around to get a good example so we are confident of the format, unless anyone has some?
@jbeilstenedmands
Copy link
Contributor Author

I now have example files I can use so I will have a go at this

@jbeilstenedmands jbeilstenedmands self-assigned this Oct 19, 2018
@graeme-winter
Copy link
Contributor

Not sure what the use case is here but I suggest we have a chat -

  • XDS will write out XDS_ASCII.HKL, one per "run"
  • XSCALE will write out a format similar to this which can have > 1 "run" in

but they are subtly different...

ndevenish added a commit to ndevenish/dials-fork that referenced this issue Sep 5, 2019
@ndevenish
Exporting of multi-dataset and still experiments to XDS_ASCII
3485f8a 
- Stills have been handled by writing a neutral (1,0,0) rotation axis and
  zero oscillation values
- If multiple experiments, an index will be inserted into the filename before
  the extension.
- Also, a more useful error if the profile column doesn't exist

Fixes dials#637.
@ndevenish ndevenish mentioned this issue Sep 5, 2019
Merged
ndevenish added a commit to ndevenish/dials-fork that referenced this issue Sep 6, 2019
@ndevenish
Exporting of multi-dataset and still experiments to XDS_ASCII
2f936e2 
- Stills have been handled by writing a neutral (1,0,0) rotation axis and
  zero oscillation values
- If multiple experiments, an index will be inserted into the filename before
  the extension.
- Also, a more useful error if the profile column doesn't exist

Fixes dials#637.
rjgildea pushed a commit that referenced this issue Sep 10, 2019
@ndevenish @rjgildea
Exporting of multi-dataset and still experiments to XDS_ASCII (#911)
42e71c3 
- Stills have been handled by writing a neutral (1,0,0) rotation axis and
  zero oscillation values
- If multiple experiments, an index will be inserted into the filename before
  the extension.
- Also, a more useful error if the profile column doesn't exist

Fixes #637.
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@jbeilstenedmands jbeilstenedmands

Labels
dials.export enhancement
Projects
None yet
Milestone
No milestone
Development

No branches or pull requests
2 participants
@graeme-winter @jbeilstenedmands