Mathematica versus SIMPSON:
One-pulse line intensity for MAS crystal.
Contributor: R. Hajjar

Home and Applets > Quadrupole Interaction > One-Pulse MAS > Rotating Crystal with α+90°

## One-pulse line intensity for MAS crystal, Part 2

AIM: We show that adding 90° to the Euler angle α in Mathematica notebook or to the Euler angle αPC in SIMPSON Tcl script provide the same results as changing the sign of the asymmetry parameter η.

Equipment, method, and parameters are identical to those involved in one-pulse line intensity for MAS crystal, Part 1.

### Result

The simulated line intensities are gathered in the following table.

t
(μs)
Mathematica-5
crystal_MAS.nb
SIMPSON1.1.1 Tcl script
onextalMAS.in
η = 1
α=120°,
β=γ=30°
η = -1
α=30°,
β=γ=30°
η = 1
αPC=120°
βPCPC=30°
η = -1
αPC=30°,
βPCPC=30°
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
0
0.1909263462
0.1179498378
-0.1095760968
-0.1748410673
0.05933795078
0.349769756
0.3342515848
-0.2783335973
-0.4104664941
-0.04702774168
0.4073285563
0.3241038495
-0.1948624526
-0.4306262691
-0.05748909539
0.4018103486
0.3128637066
-0.1999188914
-0.4520927211
-0.01315623676
0
0.1909263462
0.1179498378
-0.1095760968
-0.1748410673
0.05933795078
0.349769756
0.3342515848
-0.2783335973
-0.4104664941
-0.04702774168
0.4073285563
0.3241038495
-0.1948624526
-0.4306262691
-0.05748909539
0.4018103486
0.3128637066
-0.1999188914
-0.4520927211
-0.01315623676
0
0.190843637
0.117785432
-0.118142271
-0.190515581
0.00105724422
0.190781538
0.113392435
-0.124870487
-0.185933748
0.0228950317
0.197721687
0.0744132139
-0.162157761
-0.147453951
0.100172554
0.182839427
0.247764106
0.0132151497
-0.192084503
-0.124813789
0
0.190843637
0.117785432
-0.118142271
-0.190515581
0.00105724422
0.190781538
0.113392435
-0.124870487
-0.185933748
0.0228950317
0.197721687
0.0744132139
-0.162157761
-0.147453951
0.100172554
0.182839427
0.247764106
0.0132151497
-0.192084503
-0.124813789

### Solid-state NMR bibliography for:

[Contact me] - Last updated August 30, 2020