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.

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

Created spinsolve.py #147

Merged
merged 3 commits into from
May 17, 2021
Merged

Created spinsolve.py #147

merged 3 commits into from
May 17, 2021

Conversation

LCageman
Copy link
Contributor

@LCageman LCageman commented May 12, 2021

I created the read and guess_udic for spinsolve data, as mentioned in issue #146.
The read function will work on a directory and a filename can be specified, otherwise the standard names are tried.
When I compared to other fileio scripts I realized that I put everything into one function instead of using smaller functions. I can still do this for a next iteration.
I also use the fileio/jcampdx.py script here to read the (optional) .dx file, I'm not sure if that is preferred or if it's better to copy (only) the necessary code here.
guess_udic uses acqu.par file parameters (should be always present), otherwise the .dx file header parameters are used (only when having a .dx file)

LCageman added 2 commits May 12, 2021 17:31
I created the read and guess_udic for spinsolve data, as mentioned in issue #146.
The read function will work on a directory and a filename can be specified, otherwise the standard names are tried.
When I compared to other fileio scripts I realized that I put everything into one function instead of using smaller functions. I can still do this for a next iteration.
I also use the fileio/jcampdx.py script here to read the (optional) .dx file, I'm not sure if that is preferred or if it's better to copy (only) the necessary code here.
guess_udic uses acqu.par file parameters (should be always present), otherwise the .dx file header parameters are used (only when using the .dx file)
@LCageman LCageman changed the title Create spinsolve.py Created spinsolve.py May 12, 2021
Updated to include fileio/spinsolv.py
@LCageman
Copy link
Contributor Author

LCageman commented May 12, 2021

I seem to have made a bit of a mess in the commits and can't find how to fix it. I wanted to change 'fileio/init.py', but somehow it happened twice. Therefore "0659e70" can be ignored.

Also, find test data attached here (supplied by @NichVC)
Spinsolve.Data.+.Documentation.zip

@kaustubhmote
Copy link
Collaborator

This looks really good! Give me a couple of days for testing different datasets and I think this should be ready for a quick merge. Thanks!

@kaustubhmote kaustubhmote merged commit 6ca36de into jjhelmus:master May 17, 2021
@kaustubhmote
Copy link
Collaborator

This works as expected, and is now merged. Thanks!
If you have the bandwidth, maybe a few additions might be nice:

  1. A read_pdata function that prioritises the processed data (just for convenience).
  2. Update to the documentation (doc/source/tutorial.rst).
  3. A couple of tests to go with this.

@LCageman LCageman deleted the patch-1 branch May 19, 2021 13:26
@LCageman
Copy link
Contributor Author

Thanks @kaustubhmote! I'll find some time in the next weeks for your suggestions.

j-brady pushed a commit to j-brady/nmrglue that referenced this pull request Sep 12, 2021
A new "ng.spinsolve" module to read data in spinsolve format
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

2 participants