#!/bin/sh

#!/bin/sh
xyz2pipe -in lp1/testlp%03d.ft3  -x -verb               \
| nmrPipe  -fn POLY -auto -x1  10.5ppm -xn 6.0ppm -ord 2 \
| nmrPipe  -fn POLY -auto -x1  6.0ppm -xn 4.9ppm -ord 2 \
| nmrPipe  -fn POLY -auto -x1 4.65ppm -xn -0.60ppm -ord 2 \
| pipe2xyz -out pipe_base/simnoesy%03d.ft4 -x
xyz2pipe -in pipe_base/simnoesy%03d.ft4  -y -verb               \
| nmrPipe  -fn POLY -auto -x1  11.0ppm -xn 4.83ppm -ord 3 \
| nmrPipe  -fn POLY -auto -x1 4.73ppm -xn -0.60ppm -ord 3 \
| pipe2xyz -out pipe_base/simnoesy%03d.ft5 -y
xyz2pipe -in pipe_base/simnoesy%03d.ft5  -z -verb               \
| nmrPipe  -fn POLY -auto -ord 1  \
| pipe2xyz -out pipe_base/simnoesy%03d.ft6 -z

xyz2pipe -in pipe_base/simnoesy%03d.ft6 -x -verb > simnoesyB.ft
showhdr -verb pipe_base/simnoesy%03d.ft6 > simnoesyB.header