- Added
alignSegment()
for aligning spectral regions with peak shift - Updated NIPALS convergence threhold for PCA (eps<10^-6^)
- Updated
binning()
function - Added
excise1d()
for automated 1D chemical shift excision (capping, water, urea) - Added
normErectic()
to normalise std 1D spec with the ERECTIC integral (Bruker IVDr method)