metabom8 0.4.4

  • Added alignSegment() for aligning spectral regions with peak shift
  • Updated NIPALS convergence threhold for PCA (eps<10^-6^)

metabom8 0.4.3

  • 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)