We have some rather workaroundy code to add more comment fields and to add some extra tags from the ini file (but not from the infolist).
We are getting more cases where other tags are desired. For example, I just helped a user who wanted CCS and RT imported from infolist.
This could be simplified with:
a yaml with all allowed tags
the user can use any of these tags either in the ini file or in the infolist,
When both are present, the infolist entry overwrites the ini entry, giving a warning
When an infolist tag overwrites a tag that was already in the spectrum (like RT, when a user wants to add known RT post-hoc to flow injection MS2), it gives a warning
If the YAML has all tags in the correct order, it can also serve as a template to reorder the tags before writing out the file.
Not handled by this proposal:
more tags that might come directly from the spectra
Related to #298, after discussion with @tsufz:
The current RMassBank is somewhat hardcoded as to
We have some rather workaroundy code to add more comment fields and to add some extra tags from the ini file (but not from the infolist).
We are getting more cases where other tags are desired. For example, I just helped a user who wanted CCS and RT imported from infolist.
This could be simplified with:
If the YAML has all tags in the correct order, it can also serve as a template to reorder the tags before writing out the file.
Not handled by this proposal:
Comments?