Library
This section of the site hosts sample spectra, document templates, scripts, and other contributes by the community of the users.
If you have a Mac: Alt-click a link to download the corresponding document.
templates of simulated spin systems
generic templates
- abc
- template for a system of 3 nuclei.
- abcd
- template for a system of 4 nuclei.
- abcde
- template for a system of 5 nuclei.
- abcdef
- template for a system of 6 nuclei.
classic examples
- odcb
- 1,2-dichloro-benzene.
- allylacetate
- The shifts of an allylic group (wrong values of Js).
- dmf
- dimethyl-formamide.
DNMR6 examples
DNMR6 (QCPE #633) is an old program (1983), still for sale. It comes with a series of printed examples of usage. I have validated iNMR against the pictures.- dnmr6_ex1
- exchange between two singlets.
- dnmr6_ex2
- exchange among four singlets.
- dnmr6_ex3
- mutual exchange inside an AB system.
- dnmr6_ex4
- mutual exchange inside an ABX3 system (A exchanges with B).
- dnmr6_ex5
- exchange among three singlets.
- dnmr6_ex6
- four systems, each having four different nuclei.
- dnmr6_ex7
- two symmetric systems, each having five nuclei.
Lua Programs
- Xmover
- simple spectral editing
- lousy
- list of user selected cross-peaks
- x3ct
- (function): extracts the 3 columns centered at the given ppm frequency
- ftAll
- batch processing
- xfb
- (function): 2D processing
- xfb (old)
- old version
- peak-picking to stripes
- Given a collection of selected 2D peaks, creates the corresponding stripes into all 3D spectra
- StripeOrder
- (functions): exchanges the stripes
- Display Signal / Noise
- (function): equivalent to the Varian command “dsn”
- Attach Labels
- The Automatic Labelling Machine