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Default spectra variable names #62
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Unsure what kind of things go here exactly.
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Once we agreed on a format, I would like to refactor this in |
I would suggest to always use the default for the core spectra variables (see the list of variables in the General description of the Spectra vignette. Thus I would use:
(note my lack of consistency here - sorry for that :( ) |
To summarize so far.
And our "library" variables (plus a few more suggestion from my side)
In case of lipids we often don' have the exact structure, therefore I would like to have |
OK, this means I should update/change the code in |
I would guess so... If there are no objections from @stanstrup ? |
- Rename `compound_name` to `compound`, `inchi_key` to `inchikey` and `mass` to `exactmass`.
No objections |
refactor: rename columns (issue #62)
As suggested by @michaelwitting in issue #61 we should agree on a base nomenclature for compound/spectra identifiers. I am generally no big friend of camelCase in variable names (just too easy to misstype), so I'd suggest to use all in lower case?
Happy for feedback, change requests and expansion of the list @michaelwitting @stanstrup @sneumann
inchi
inchikey
smiles
splash
...
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