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Franz Borrmann <franz.borrmann@tu-berlin.de> wrote
> Dear Colleagues,
>
> we're looking for a possibility to get ASCII-files (TIC or
> SIM-chromatogram data) out of a HP-Chemstation (ver.G1034C) ..snip
> Thanks a lot

Dear Franz,


sometimes  ago I wrote a nice :-) macro:
------------------------------------------------------------------------------
!HP2ASCII.MAC starts here

name HP2ASCII
!***
!*** this macro fully converts a HP Chemstation file to ASCII or JCAMP-DX
!*** (c)TK4ICBINB
!*** if an error occours during macro execution:false line break in macro
!***
!***(1) load a GC-MS file in HP Chemstation
!***(2) Choose Options Dialog Box --> Command line
!***(3) enter "macro" at command line and load HP2ASCII
!***(4) enter HP2ASCII at the command line to start
!***(5) Choose an option TIC+MS, TIC, JCAMP-DX
!***(6) Read in with XCL with ";" separator
!***    (from the actual HP data path)
!***
!*** possible files are : xMSspec.txt, xspecrow.txt,
!***                           xTIConly.txt , JCMPGCMS.jdx
!*** BEWARE: XCL can read only a 256x65536 matrix!!! Yes 3x!



  LOCAL label, button, choice
  SDim label, 4
  SDim button, 3
  label[1] = "TIC+spectra nice output"
  label[2] = "TIC+spectra ín one line"
  label[3] = "Only TIC"
  label[4] = "JCAMP 4 Lib2NIST"
  button[1] = ""
  button[2] = "OK"
  button[3] = ""
  choice = 1
  INPUT6 3, 4,"HP2ASCII", label, button, choice
  mychoice = choice

  POINTS R0  ! Get scan range in NPOINTS
  lowscan = 1
  highscan = NPOINTS

  if (mychoice = 1) then
      NiceOutput
  endif
  if (mychoice = 2) then
      LineOutput
  endif
  if (mychoice = 3)  then
      TICOutput
  endIF
  if (mychoice = 4)  then
      JCAMP4Lib2NIST
  endIF

CLOSE #1
Alert "Beware: EXCEL is only 8-bit!",2
return



name NiceOutput
  fileName$ = _DATAPATH$+_DATAFILE$ + "\xMSspec.txt"
  OPEN fileName$ FOR OUTPUT AS #1
 !change for header line output
  PRINT USING #1,"%;%;%;%;%;%/","Scan","Time","TIC","MSPeaks","Mass","Abund"
  i = 1
  while i <= highscan
    scan i
    points x !get the number of spectra points

    !***array starts from 0 , scans start from 1 aarrgghh
    PRINT USING #1, "#;#.###;#;#/",i,r0[i-1,0],r0[i-1,1],NPOINTS

    !*****************************************
    !*** write out the mass pairs
    masscount = 0 !array starts from zero
    while masscount < NPOINTS

    !*** take care !
    !*** if you want true mass values use #.###
    !*** and remove the round() function
    !*** give out mass, abundance
    print using #1 ,";;;;#.##;#/",round(x[masscount,0]),x[masscount,1]

    masscount = masscount+1
    endwhile
    !*****************************************
    i = i+1
    print i
  endwhile
return


name LineOutput

  fileName$ = _DATAPATH$+_DATAFILE$ + "\xspecrow.txt"
  OPEN fileName$ FOR OUTPUT AS #1
  !header line output
  PRINT USING #1,"%;%;%;%;%;%/","Scan","Time","TIC","MSPeaks","Mass","Abund"

  i = 1
  while i <= highscan
    scan i
    points x !get the number of spectra points

    !***array starts from 0 , scans start from 1 aarrgghh
    PRINT USING #1, "#;#.###;#;#",i,r0[i-1,0],r0[i-1,1],NPOINTS

    !*****************************************
    !*** write out the mass pairs
    masscount = 0 !array starts from zero
    while masscount < NPOINTS
      ! All spectra in one line
      print using #1 ,";#.##;#",round(x[masscount,0]),x[masscount,1]
    masscount = masscount+1
    endwhile
    !*****************************************
    print using #1, "/"
    i = i+1
    print i
  endwhile
return

name TICOutput
  fileName$ = _DATAPATH$+_DATAFILE$ + "\xTIConly.txt"
  OPEN fileName$ FOR OUTPUT AS #1
  PRINT USING #1, "%;%;%;%;/","Scan","Time","TIC","MSPeaks"
  i = 1
  while i <= highscan
    scan i
    points x !get the number of spectra points
    !***array starts from 0 , scans start from 1 aarrgghh
    PRINT USING #1, "#;#.###;#;#/",i,r0[i-1,0],r0[i-1,1],NPOINTS
    i = i+1
    print i
  endwhile
return

name JCAMP4Lib2NIST
! HP Chemstation GC-MS file to JCAMP-DX (HP2JCAMP)
! my contribution to the IUPAC year :-)
! but anyway, it would be better to use AMDIS32  and Lib2NIST
! and use only pure extracted peaks...
! for JCAMP look at
! http://wwwchem.uwimona.edu.jm:1104/software/jcampdx.html
! http://www.isas-dortmund.de/projects/jcamp/
! no compressed format -> ever built a hashtable in Chemstation ?

fileName$ = _DATAPATH$+_DATAFILE$ + "\JCMPGCMS.jdx"
OPEN fileName$ FOR OUTPUT AS #1

  i = 1
  while i <= highscan
    scan i
    points x !get the number of spectra points

    !***array starts from 0 , scans start from 1 aarrgghh
    PRINT USING #1, "% % %#/","##TITLE=",_DATAFILE$,"Scan ",i
    PRINT #1, "##JCAMPDX= Revision 5.0"
    PRINT #1, "##DATA TYPE= MASS SPECTRUM"
    PRINT #1, "##DATA CLASS= PEAK TABLE"
    PRINT #1, "##XUNITS= m/z"
    PRINT #1, "##YUNITS= RELATIVE ABUNDANCE"
    PRINT USING #1, "% #/", "##NPOINTS=", NPOINTS
    PRINT #1, "##PEAK TABLE= (XY..XY)"

    !*****************************************
    !*** write out the mass pairs
    masscount = 0 !array starts from zero
    while masscount < NPOINTS

    !*** take care !
    !*** if you want true mass values use #.###
    !*** and remove the round() function
    !*** give out mass, abundance
    print using #1 ,"# #/",round(x[masscount,0]),x[masscount,1]

    masscount = masscount+1
    endwhile
    !*****************************************
    i = i+1
    print i
  endwhile

return

!*** HP2ASCII.MAC ends here
-------------------------------------------------------------------------------

A good starting point are the google-groups:
http://groups.google.de/groups?hl=en&q=tic+chemstation+macro
and also the sci.techniques.mass-spec group (moderated).

The HP Chemstation has a really powerful and open concept.
If you want to have a nice programming environment please
download the macropad from
http://www.chem.agilent.com/cag/servsup/usersoft/main.html

There are a also a lot of examples in //hpchem/msexe/macros.hlp


With kind regards
Tobias Kind
www.amdis.net


PS:
Ever noticed SGS-Polymers ?
http://wwwstud.uni-leipzig.de/~che94beq/pradiobr.htm