Status

[bpbond]

• Code reformatted #10
• All R CMD CHECK notes fixed except for inst/extdata size
• Bin assignment code reworked #21
• Bins are now package data #18
• Documentation and function exporting greatly changed #14 #17
• Code, test code, and test data for processing code reworked and expanded #20 #24
• Relabund code, documentation, and test code reworked #27

I won't have much time this coming week but @kaizadp please test out the package, in particular reading spectra and peaks files, and assigning bins. Feedback welcome.

[kaizadp]

Thanks! Working through these edits today.

[bpbond]

Thanks for merging PRs 30-34 @kaizadp . At this point, the package is pretty solid I think 🎉

Remaining to-do items from my POV:

• [x] Transfer ownership to @kaizadp
• [x] Resolve KP_TODO items - mostly these are needed documentation details #16
• [x] Make a vignette
• [x] Let's talk about the data in inst/extdata - at 50+ MB, it's triggering our only NOTE (which will hold up approval on CRAN)
• [x] I would prefer to remove dplyr as an import; not much code actually uses it, and it's a heavy dependency #36
• [x] Fix the codecov badge -- not sure what's going on there
• [x] Bring over the cool hex badge and other README info from https://github.com/kaizadp/nmrrr
• [x] Add other people to DESCRIPTION? E.g. AMP
• [x] Expand package description text in DESCRIPTION
• [x] Test code for ggspectra #36

Anything else?

[kaizadp]

Transfer ownership to https://github.com/COMPASS-DOE ?

Possibly? This is not exclusively a COMPASS package (COMPASS/TES/RC contributions), so not sure if it's better to place it under COMPASS, or leave it as your/my repo. Let's discuss.

I would prefer to remove dplyr as an import; not much code actually uses it, and it's a heavy dependency. But defer to you @kaizadp

Sure! I assumed we needed to import every package that is being used in our functions, so I added it in there. But yes, let's delete if it's not needed and making the package unwieldy.

Let's talk about the data in inst/extdata - at 50+ MB, it's triggering our only NOTE (which will hold up approval on CRAN)

Just looked a couple of the files. kfp_hysteresis/spectra_mnova/ files are so big because there are a lot of "crap" data (< 0 or > 10 ppm), I deleted those, and brought it down from 1.3 MB to 740 KB! I'll do this for all the files and see how much that helps the overall size.

[bpbond]

Oh, if not COMPASS, fine. I just assumed. Thanks!

[bpbond]

With e2554ea0efb364b5ccd1214e1bc2e50052a05d36 I think we're in good shape. The remaining unchecked items above are mostly on you @kaizadp :

• Create at least one vignette (optional, but very useful for users)
• The inst/extdata size
• Expand package description text in DESCRIPTION file

Happy to consult about any of these! But for now, I'm moving this off my to-do list 😄

[kaizadp]

Thanks! Yep, working on these items, and I’ll tag you in Issues/PRs.

[bpbond]

Probably obvious, but: any datasets in inst/extdata should be used — either in @examples or the vignette(s).

[kaizadp]

• [x] Let's talk about the data in inst/extdata - at 50+ MB, it's triggering our only NOTE (which will hold up approval on CRAN)

Finally done, PR #44

[bpbond]

@kaizadp Maybe we can touch base in the new year about this?

[kaizadp]

Yes! Sorry, it's been a crazy few weeks/months. I'll work on the vignettes soon, and we can touch base in January. Thanks!