#!/bin/csh # # This script takes the extracted FID and splits it in to the reference # attenuated FID files using the COADD command. It also applies the # Rance-Kay de-shuffling to the FIDs so they can be transformed. # rm -rf fid mkdir fid set bits = (0 0) foreach ord (`seq ${#bits}`) set outName = `printf fid/test%03d.fid $ord` set bits[$ord] = 1 nmrPipe -in test.fid \ | nmrPipe -fn COADD -cList $bits -axis Y -time \ | nmrPipe -fn MAC -macro $NMRTXT/bruk_ranceY.M -noRd -noWr \ -verb -ov -out $outName set bits[$ord] = 0 end # # This is the script that performs apodization, Fourier transformation, # baseline correction, etc. It operates as a standard nmrPipe script # except for the loop, which allows the same transformations to proceed # on both the reference and attenuated spectra. # set tauValues = ( 5.348 10.680 ) # evolution times for each QJ point set idxExpmt = ( 1 2 ) # (you don't need to change these # lines if you use get_jnh.py) rm -rf ft ft2d mkdir ft foreach n ( `seq 1 ${#tauValues}` ) echo Time t${n} \($tauValues[$n] ms\)... set outName = (`printf ft/test%03d.ft2 $n`) # set ucsfName = (`printf ./dnh_t%03d.ucsf $n`) set inName = (`printf fid/test%03d.fid $idxExpmt[$n]`) echo "* input = $inName" echo "* output = $outName" nmrPipe -in $inName \ | nmrPipe -fn POLY -time \ | nmrPipe -fn SP -off 0.5 -end 0.98 -pow 2 -c 0.5 \ | nmrPipe -fn ZF -zf 2 -auto \ | nmrPipe -fn FT \ | nmrPipe -fn EXT -x1 13.8ppm -xn 5.8ppm -sw \ | nmrPipe -fn PS -p0 123.9 -p1 0.0 -di \ | nmrPipe -fn TP \ | nmrPipe -fn SP -off 0.5 -end 0.99 -pow 1 -c 0.5 \ | nmrPipe -fn ZF -size 2048 \ | nmrPipe -fn FT -verb \ | nmrPipe -fn PS -p0 88.7 -p1 0.0 -di \ | nmrPipe -fn POLY -ord 0 -auto \ # | nmrPipe -fn CS -ls 1.0ppm -sw \ | nmrPipe -fn TP \ | nmrPipe -fn POLY -auto \ -verb -ov -out $outName # Optional: Make Sparky-format spectra #pipe2ucsf $outName $ucsfName sethdr $outName -tau $tauValues[$n] end # Backup the 2D spectra (solely for use with IPAP. ugh.) cp -r ft ft2d # Make the 2D's into a psuedo 3D series.com ft/test*.ft2