Skip to main content
. Author manuscript; available in PMC: 2021 Jul 19.
Published in final edited form as: Curr Protoc Protein Sci. 2020 Jun;100(1):e105. doi: 10.1002/cpps.105

File proc.com:

#!/bin/csh
set dirList = (‘getTabCol.tcl -in meta.tab -var DIR_NAME’)
set proc = (‘getTabCol.tcl -in meta.tab -var PROC_FLAG’)
set SIERRA = (‘getTabCol.tcl -in meta.tab -var SIERRA_FLAG’)
set xP0List = (‘getTabCol.tcl -in meta.tab -var XP0’)
set clipList = (‘getTabCol.tcl -in meta.tab -var CLIP_THRESH’)
set title = (‘getTabCol.tcl -in meta.tab -var TITLE’)
set origDir = ‘pwd’
@ i = 0
foreach d ($dirList)
  @ i++
  cd $d
  set tStr = (‘cat title’)
  if $proc[$i] then
    echo $d/ auto-processing
    if $xP0List[$i] == 0.0 then
           set xP0 = ‘auto’
    else
           set xP0 = $xP0List[$i]
    endif
    if $SIERRA[$i] then
      set region = (‘getTabCol.tcl -in $origDir/sierra.tab -var REG’)
          set base = (‘getTabCol.tcl -in $origDir/sierra.tab -var TDN’)
      basicSierra.com -in test.fid -ft orig.ft2 -out sierra.ft2 \
                -reg $region -tdN $base \
                -procArgs -xP0 $xP0 -xEXTX1 −0.75ppm -xEXTXN 2.5ppm \
                -xBASEARG POLY, auto, ord=0 –yZFARG zf=2, auto –yP0 90
    else
      basicFT2.com -in test.fid -out orig.ft2 \
              -xP0 $xP0 -xEXTX1 −0.75ppm -xEXTXN 2.5ppm \
              -xBASEARG POLY,auto ord=0 -yZFARG zf=2,auto -yP0 90
       cp orig.ft2 sierra.ft2
    endif
    sethdr sierra.ft2 -title $title[$i]
    set maxVal = (‘specStat.com -in sierra.ft2 -x1 3% -xn 97% -brief -stat vMaxAbs’
    set scale = (‘MATH 100.0/$maxVal’)
    nmrPipe -in sierra.ft2 -out sierra.ft2 -ov -inPlace -fn MULT -c $scale
    #uncomment for threshold noise removal
    #nmrPipe -in sierra.ft2 -out sierra.ft2 -ov -fn CLIP -below -$clipList[$i] \
    #     -above $clipList[$i] -inside 0.0
    nmrPrintf “%s/%s %s xP0: %.1f Scale: %.3e\n” $d sierra.ft2 $xP0List[$i] $tStr $scale
    $origDir/report2D.com sierra.ft2
    echo “”
    cd $origDir
  else
    echo $d/ using pre-processed data
  endif
  cd $origDir
end