1) Make new directory: mkdir Aurelia

2) Copy 2D planes in directory extr/ into Aurelia directory:cp dataf1f3.*

3) Remove dataf1f3.proj in Aurelia directory: rm dataf1f3.proj

4) Edit plane members; e.g. change dataf1f3.1 to dataf1f3.001 by typing following commands:

/bin/ls -d dataf1f3.?? | /bin/sed -e 's/.*/mv & x&/' -e 's/xdataf1f3./dataf1f3.0/g' | sh

/bin/ls -d dataf1f3.? | /bin/sed -e 's/.*/mv & x&/' -e 's/xdataf1f3./dataf1f3.00/g' | sh

5) Run program v2aure_states to convert vnmr data: v2aure_states -i dataf1f3.*

(for TPPI data , use program v2aure_tppi instead)

6) Run program v2brick to break data3d.out into small matrix data file:

v2brick

input file name: data3d.out

output file name: data3d.aur

numbers of planes: 128

fn1/2: 128

fn/2: 512

smx1: 64

smx2: 64

7) Run program AURELIA: /nmrapps/AURELIA/AURELIA pfile

choose add dataset option in the program.

enter 3 for 3D spectrum

enter 0 for headers

check x for floating data

Dimensions:

w1: 128

w2 (fn1/2): 128

w3 (fn/2): 512

smx of w1: 1

smx of w2: 64

smx of w3: 64

for AURELIA: w3 w2 w1

for VNMR: f3 f1 f2

matrix size: 512 128 128

smx: 64 64 1

Reference:

in AURELIA, choose change parameters

sweep width w1 ( in ppm): sw2/dfrq2

sweep width w2 ( in ppm): sw1/dfrq

sweep width w3 ( in ppm): sw/sfrq

for ppm value of last point, enter the smallest ppm value in that dimension.

After importing VNMR data into AURELIA, remove dataf1f3.*, data3d.out

and data3d.aur files.