#!/bin/csh bruk2pipe -in ./ser -bad 0.0 -swap -DMX -decim 16 -dspfvs 12 \ -xN 1280 -yN 48 -zN 48 -aN 60 \ -xT 640 -yT 24 -zT 24 -aT 30 \ -xMODE DQD -yMODE Complex -zMODE Complex -aMODE Complex \ -xSW 11160.714 -ySW 1601.537 -zSW 4426.737 -aSW 6053.269 \ -xOBS 800.154 -yOBS 81.088 -zOBS 201.211 -aOBS 800.155 \ -xCAR 4.724 -yCAR 119.022 -zCAR 65.684 -aCAR 4.724 \ -xLAB 1H -yLAB 15N -zLAB 13C -aLAB H \ -ndim 4 -aq2D States \ | pipe2xyz -x -out ./data/4d%02d%02d -verb -ov -to 0 # This processes XY and Z and then A with lp in Y, Z, and A # echo Processing XY Dimension. /bin/mkdir dat /bin/mkdir dat1 /bin/mkdir dat2 /bin/mkdir dat3 xyz2pipe -in data/4d%02d%02d -x -verb \ | nmrPipe -fn POLY -time \ | nmrPipe -fn SP -off 0.45 -end 0.98 -pow 1 -c 0.5 \ | nmrPipe -fn ZF \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 4 -p1 0 -di \ | nmrPipe -fn EXT -x1 5.8ppm -xn 11.1ppm -sw \ | nmrPipe -fn TP \ | nmrPipe -fn SP -off 0.50 -end 0.90 -pow 1 -c 1.0 \ | nmrPipe -fn ZF \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 -90.0 -p1 180.0 -di \ | nmrPipe -fn TP \ | nmrPipe -fn POLY -auto -ord 1 \ | pipe2xyz -out dat/4d%03d%03d.DAT -verb -ov #/bin/rm -r data echo Processing Z Dimension Without Linear Prediction xyz2pipe -in dat/4d%03d%03d.DAT -z -verb \ | nmrPipe -fn SP -off 0.5 -end 0.90 -pow 1 -c 1.0 \ | nmrPipe -fn ZF \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 -90.0 -p1 180.0 -di \ | pipe2xyz -out dat1/4d%03d%03d.DAT -z -verb -ov /bin/rm -r dat echo Processing A Dimension With Linear Prediction xyz2pipe -in dat1/4d%03d%03d.DAT -a -verb \ | nmrPipe -fn LP -ps0-0 \ | nmrPipe -fn SP -off 0.5 -end 1 -pow 2 -c 0.5 \ | nmrPipe -fn ZF \ | nmrPipe -fn FT \ | nmrPipe -fn CS -ls 2.5ppm -sw \ | nmrPipe -fn PS -p0 -45 -p1 0.0 -di \ | pipe2xyz -out dat2/4d%03d%03d.DAT -a -verb -ov /bin/rm -r dat1 echo Processing Y Dimension With Linear Prediction xyz2pipe -in dat2/4d%03d%03d.DAT -y -verb \ | nmrPipe -fn HT -ps90-180 \ | nmrPipe -fn PS -p0 -90.0 -p1 180.0 -inv \ | nmrPipe -fn FT -inv \ | nmrPipe -fn ZF -inv \ | nmrPipe -fn SP -off 0.5 -end 0.90 -pow 1 -c 1.0 -inv \ | nmrPipe -fn LP -fb \ | nmrPipe -fn SP -off 0.5 -end 1 -pow 2 -c 1.0 \ | nmrPipe -fn ZF \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 -90.0 -p1 180.0 -di \ | nmrPipe -fn CS -ls 0.25ppm -sw -neg\ | pipe2xyz -out dat3/4d%03d%03d.DAT -y -verb -ov /bin/rm -r dat2 echo Processing Z Dimension With Linear Prediction xyz2pipe -in dat3/4d%03d%03d.DAT -z -verb \ | nmrPipe -fn HT -ps90-180 \ | nmrPipe -fn PS -p0 -90.0 -p1 180.0 -inv \ | nmrPipe -fn FT -inv \ | nmrPipe -fn ZF -inv \ | nmrPipe -fn SP -off 0.5 -end 0.90 -pow 1 -c 1.0 -inv \ | nmrPipe -fn LP -fb \ | nmrPipe -fn SP -off 0.5 -end 1.0 -pow 2 -c 1.0 \ | nmrPipe -fn ZF \ | nmrPipe -fn FT \ | nmrPipe -fn PS -p0 -90.0 -p1 180.0 -di \ | nmrPipe -fn TP \ | nmrPipe -fn POLY -auto -ord 1 \ | nmrPipe -fn TP \ | pipe2xyz -out ft1/4d%03d%03d.DAT -z -verb -ov /bin/rm -r dat3 echo Done.