Example NMRPipe conversion and processing scripts are listed below for VARIAN experiments based on experiment name:
In general use nmrPipe gui to convert the data, the see below for correct usage for ymode or zmode (complex, Rance-kay etc.)
gNfhsqc
"fast" 1H-15N HSQC from Biopack uses watergate for
suppression: use COMPLEX
gNhsqc
1H-15N HSQC with gradients for coherence
selection, and flip back water suppression: use
RANCE-KAY
ghn_cacb
3D hncacb using RANCE-KAY in
15N
gcbca_co_nh 3D
cbca(co)nh using RANCE-KAY in
15N
How to Linear Predict for corrupted datapoints in 3D
spectra: lpcorrupt
gNfhsqc
Conversion:
#!/bin/csh
var2pipe
-in ./fid -noaswap \
-xN
2048 -yN
168 \
-xT
1024 -yT
84 \
-xMODE
Complex -yMODE
Complex \
-xSW
12001.200 -ySW
2300.000 \
-xOBS
599.737 -yOBS
60.778 \
-xCAR
4.821 -yCAR
118.314 \
-xLAB
H1 -yLAB
N15 \
-ndim
2 -aq2D
States \
-out ./test.fid -verb -ov
Note
if you use the Varian conversion menu then you need to only change
yMODE to complex and
Processing:
#!/bin/csh
nmrPipe
-in test.fid \
| nmrPipe -fn SP -off 0.35 -end 0.98 -pow 2
-c 0.5 \
| nmrPipe -fn ZF
-auto
\
| nmrPipe -fn FT -auto
\
| nmrPipe -fn PS -p0 -155 -p1 0.00 -di -verb
\
| nmrPipe -fn EXT -left -sw
\
| nmrPipe -fn TP
\
| nmrPipe -fn SP -off 0.35 -end 0.98 -pow 1 -c 0.5
\
| nmrPipe -fn ZF -auto
\
| nmrPipe -fn FT -auto
\
| nmrPipe -fn PS -p0 0.00 -p1 0.00 -di -verb
\
| nmrPipe -fn TP
\
| nmrPipe -fn POLY -auto
\
-ov -out test.ft2
gNhsqc
Conversion:
#!/bin/csh
var2pipe
-in ./fid -noaswap \
-xN
2048 -yN
168 \
-xT
1024 -yT
84 \
-xMODE
Complex -yMODE
Rance-kay \
-xSW
12001.200 -ySW
2300.000 \
-xOBS
599.737 -yOBS
60.778 \
-xCAR
4.821 -yCAR
118.314 \
-xLAB
H1 -yLAB
N15 \
-ndim
2 -aq2D
States \
-out ./test.fid -verb -ov
Note
if you use the Varian conversion menu then you need to only change
yMODE to Rance-Kay
Processing:
#!/bin/csh
nmrPipe
-in test.fid \
| nmrPipe -fn SP -off 0.35 -end 0.98 -pow 2
-c 0.5 \
| nmrPipe -fn ZF
-auto
\
| nmrPipe -fn FT -auto
\
| nmrPipe -fn PS -p0 -155 -p1 0.00 -di -verb
\
| nmrPipe -fn EXT -left -sw
\
| nmrPipe -fn TP
\
| nmrPipe -fn SP -off 0.35 -end 0.98 -pow 1 -c 0.5
\
| nmrPipe -fn ZF -auto
\
| nmrPipe -fn FT -auto
\
| nmrPipe -fn PS -p0 0.00 -p1 0.00 -di -verb
\
| nmrPipe -fn TP
\
| nmrPipe -fn POLY -auto
\
-ov -out test.ft2