Sebastian Gibb

Water loss for b-fragments?

2

This is a follow-up issue to #462. ``` MSnbase::calculateFragments(sequence = "GSDA") mz ion type pos z seq 1 58.02874 b1 b 1 1 G 2 145.06077 b2 b 2 1...

Would it be possible to group/sort the entries by *keywords* defined in the bibtex file (in the same way as done for *groups* in #7)? On my desktop I use...

Add graph base matching

13

This PR introduces `joinGraph` an alternative implementation for the idea of graph based matching as described by @tnaake in https://github.com/rformassspectrometry/Spectra/issues/49 and proposed in PR https://github.com/rformassspectrometry/MsCoreUtils/pull/23 I am sorry but I...

Implement additional distance metrices

11

See also #29 - [x] Euclidean distance - [x] Absolute value distance - [x] Normalized spectral angle See: https://doi.org/10.1016/1044-0305(94)87009-8 for Euclidean/Absolute value distance @tnaake , @tobiasko any other needed?

Evaluation rhdf5client to provide an remote HDF5 backend

20

https://bioconductor.org/packages/release/bioc/html/rhdf5client.html