benison-14may12

An NMR spectrum

A two-dimensional spectrum

A two-dimensional spectrum

Goals for “Spectrum Operators”:

● Referential transparency: f(S1) → S2 does not “alter” S1

● A first-class spectrum “type” so that things like this are possible:

f ( S1, g (S2, h (S3 ))) → S4

Extraction Operator

(spectrum-extract-ppm spec-1 7.5 8.5)

Transposition Operator

Projection Operator

Integration Operator

Convolution and Diagonal Projection

Convolution and Diagonal Projection

“Given Ca and Cb, can I find two peaks (H, N, Ca) and (H, N, Cb) that share H and N frequencies?”