Add an exporter for ASICS; provide an autophase library wrapper

[NeutralKaon]

Hi there

Thanks for making AlpsNMR – it has been hugely useful to me

This is (very pretentiously) a commit to provide two helper functions for other R packages; ASICS -- a spectral quantification library -- and and NMRphasing, which provides a variety of 1D NMR phasing (and integrated baseline correction) methods (which I'm going to email the developer and ask him to make optional). Very rudely I've added myself as a contributor – feel free to delete if you don't think that's appropriate.

I've written documentation and tests for them, and also tried to ameliorate #66 by adding literally half a sentence in a function's description there too.

[zeehio]

Thank you very much for your contribution.

I will do my best to find some time to review and test it, as well as check with other authors for their feedback and then merge this

[NeutralKaon]

Thanks so much – I have no idea why it doesn't pass the R CMD CHECK workflow – it does if I build source packages and then try them separately. It is far from a big contribution! ;-)

[zeehio]

Thanks so much – I have no idea why it doesn't pass the R CMD CHECK workflow – it does if I build source packages and then try them separately. It is far from a big contribution! ;-)

Don't worry it could be that the CI has some other issues. I'll check and fix it.

[zeehio]

I have taken your commits and included them in the main branch.

I have made some performance improvements with BiocParallell and changed the function names.

This is the latest version of to_ASICS:

AlpsNMR/R/utils.R

Lines 295 to 299 in 9b1d566

	to_ASICS <- function(dataset, ...) {
	require_pkgs("ASICS")
	spectra_matrix <- t(nmr_data(dataset))
	ASICS::createSpectra(spectra_matrix, ...)
	}

And here you have the nmr_autophase:

https://github.com/sipss/AlpsNMR/blob/9b1d5665187cba645dab1e2fb745115058adb7b8/R/nmr_autophase.R

Your autophase wrapper was passing the whole dataset object to each of the BiocParallel workers. The current version passes to each worker only the spectra it needs to process, reducing the memory usage significantly in smaller datasets.

I also included some warnings and made sure examples could run.

Since your contribution is now merged I will close this pull request. Thank you!