-
Hi,
I cannot find a way to use jcamp_write which briefly explained on the first page. Is it actually available in 1.2.2?
thanks,
-
Would be nice if you could specify the schema on the DB connection to use other than default public.
Proposal is in the config to include : PYWAY_DATABASE_SCHEMA
-
At the moment the `jcamp` module offers only the ability to parse JCAMP-DX files.
Would you consider it to be within the scope of the project to export to a file, too?
In this case I would be wi…
-
**Is your feature request related to a problem? Please describe.**
Not a problem, just a gap in the tools universe. When modeling both 13C and 1H chemical shifts using ORCA, I'd like to be able to s…
-
- [ ] Tools/scripts to offer conversion
- [ ] Examples and test cases to check if the new schemas break the conversion
-
Thank you for providing `jcamp`!
After taking a look at the repository I would recommend a few changes (and I offer to submit the relevant changes for some of these). Of course, these are just sugg…
-
Once, @pstahlhofen implemented first steps of the JCAMP workflow. This issue is to review the functions and to plan further implementation steps. A test data set is available.
-
When adding analytical data such as 1H NMR data via "add analysis", users are required to not only upload the original data but also a picture of the spectrum and the NMR data in JCAMP-DX format. This…
-
Its me again, sorry for annoying you!
I read a jcamp file with complex nmr data (which works like a charm!) and write directly the produced data with the JCAMPWriter:
```
Spectrum jcampSpectr…
-
The [latest specification](http://www.jcamp-dx.org/drafts/JCAMP6_2b%20Draft.pdf) describes the `YUNITS` field as follows:
> can be ARBITRARY UNITS, STRING
The following example values are mentio…