V2.1.2

stable release, pipeline now includes as an additional output a results.csv file which gives key metrics from the run. This file is built as the pipeline runs, and can give insight into points of failure.

SAFER v2.1.1

Changes

• Using corrected BATMAN fits
• Adjustment to the scoring system - depends on the r value of the fit spectrum, the fraction of spectrum accounted for and the percent reference accounted for
• results viewer now renders peaks more clearly
• fits are position-optimised using the BATMAN fit

SAFER v2.1.0

First stable version 2 release. README.md and wiki pages will give a list and descriptions of new functionality - too much to cover in release notes as it has been rewritten fundamentally.
We have skipped version 1 release entirely, so as to be aligned with the versioning of the MARIANA pipeline.

V 0.2.0

Documentation is now more substantial, default parameters and .RDS file are included, so the hope is that the package is now in a position where it can be downloaded and run without much hassle. This version is also primed for being wrapped up in a galaxy tool.

First iteration of R package

This release represents the first iteration of the R package containing various functions for the annotation of NMR data.