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Describes a set of higher-order spectrum operators and gives an example of their usage in assigning an NMR spectrum.
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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?”