Normalisation, binning (code available)

[mfitzp]

Hello, as part of doing a PhD in metabolomics I've created a few scripts for NMR spectral processing which may be generally applicable enough to be a useful addition to this library (I was looking on PyPi to see if this already existed when I found your project). The algorithms include...

• Normalisation via Total Spectral Area (TSA) and Probabilistic Quotient Normalization (PQN) [1]
• Reference peak normalisation (area, maxima)
• Binning (spectral resolution reduction) by axis

They all function on Pandas dataframes as they are so I would expect the conversion to be relatively easy. Do they seem a good fit for this library?

[hughesadam87]

Hi,

Sorry I never saw this message. I think if you wanted to create an NMR-specific object, that would be great. Are you still available, or have I missed that window?