Not So Short Introduction  To
TopSpin
Spring 2016
Karel Kubíček

Data Processing
using
TopSpin 3.X

TopSpin000.png TopSpin001.png
1 – Menu/submenu bar
2 – Windows navigator
3 – Toolbar
4 – Browser
5 – Data/window area
6 – Command line
7– Status panel
5
2
3
4
1
7
6
Topspin 3.X – layout description
Right mouse click in the status bar area toggles it on/off

1 – Menu bar
2 – Windows navigator
3 – Toolbar
4 – Browser
5 – Data/window area
6 – Command line
7– Status panel
5
2
3
4
1
7
6
Topspin 3.X – layout description










window_function
NMR data processing
Window functions:
1) improvement of S/N ratio
2) improvement of resolution

cavanagh1 cavanagh2A
Exp
Lor.-Gauss
Kaiser w. f’tion
NMR data processing – window functions - apodization

cavanagh3 zero_filing
Zpracování NMR dat – Zero Filling, Lineární predikce
Lineární predikce
Zero filling
240 bodů
64 bodů
LP na 128 bodů
LP na 240 bodů

|nmrPipe -fn POLY -time \
|nmrPipe -fn SP -off 0.33 -end 0.98 -pow 2 -c 1.0   \
|nmrPipe -fn ZF -size 2048 \
|nmrPipe -fn FT -auto \
|nmrPipe -fn PS -p0 -76.0 -p1 0.0 -di \
|nmrPipe -fn EXT -x1 11.0ppm -xn  6.0ppm -sw \
|nmrPipe -fn POLY -ord 3 -auto \
|nmrPipe -fn TP \
I)Solvent suppresion
II)Window functions
III)Zero-filling
IV)FT
V)Transpozition
F2
NMR data processing – summary

11_HSQC_15N_zoom1 ft_only_zoom1 11_HSQC_15N ft_only















QSIN(t) = sin[(p-PHI)*(t/AQ+PHI)]2
0 < t < AQ and AQ = p / SSB


http://sopnmr.blogspot.cz/2016/01/processing-window-functions.html