files/peaks.awk

   1 # uzywane do wykresow NMR
   2 {
   3         if (NF<9) {
   4                 npeak++
   5                 flag=0
   6                 for (i=1;i<=ninpeak;i++) {
   7                         if (d[i]<1) {
   8                                 flag=1
   9                                 print npeak,res[i,1],res[i,2],0
  10                         }
  11                 }
  12                 if (flag==0) {
  13                         for (i=1;i<=ninpeak;i++) print npeak,res[i,1],res[i,2],1
  14                 }
  15                 ninpeak=0
  16 #} else if ($8=="H" && $9=="H") {
  17         } else {
  18                 ninpeak++
  19                 peak[ninpeak]=$5
  20                 res[ninpeak,1]=$2
  21                 res[ninpeak,2]=$4
  22                 d[ninpeak]=$6-$7
  23         }
  24
  25 }