Lew:
      You can use a Varian script to generate JCAMP (ascii) files of 
either fid (svfj ) or spectrum ( svsj ). Each file includes a header 
with some of the sampleinfo, procpar, text, etc. Woody's software NUTS 
will detect the file and present data. Also freeware from MestreC web 
site will handle spectra. The varian JCAMP software must be extracted 
from the userlib, but it is very easy.



Use writexy - I am using it extensively.  This is part of parhandler 
userlib contribution.


     Lew Cary <lcary@chem.unr.edu>
      09/02/2004 05:29 PM
              To:        ammrl@ammrl.org
              cc:        
              Subject:        Ascii files



Hi you all: I used writescript (a userlib macro for vnmr)and got a
Column of intensities. My customer here wants a two column ascii
Table. First, chem. Shift and second, intensity.
                This is a point by point tabulation, not just a peak pick.
Can this be easily done in vnmr? Thanks, Lew




Hello,
I am not sure about what the output of writescript macro looks like.
However, awk (Unix) and gawk(Linux) are the utilities you should try to 
change the form of any text file.



Currently I save the file and read it into mest-rec, save it as ascii.
You can then read the file directly or put it in a spread sheet or whatever.

Did you try writexy another Varian macro? You can do a man('writexy')  for info in Vnmr.



Hi Lew,

I'M not sure about VNMR but it certainly can be done easily in MEST-RE-C which 
accepts VNMR data very easily.

"Lew Cary" <lcary@chem.unr.edu>

I thought writexy or writeascii from userlib used to do just that, may 
need specific arguments.


Hi Lew,

I have an engineering group who likes to have their data in "X,Y, ASCII"
format as you describe.  Our solution is to use Nuts (Acorn NMR), which 
has the ability to export in all kinds of formats.

If you find a way to do it directly from within VNMR, I'd be interested; 
however, I finally got my engineers to purchase Nuts so they can export 
the damn data themselves <grin>.



Hi Lew,
         Here is a modified version of the writespec macro I modified to 
do just what you are asking for.  When using this macro, only that 
region displayed in the graphics window is converted.  You might also 
want to make sure that fn isn't too big (try 16k or 32k).  Otherwise the 
ascii output file becomes huge. Good luck.
-Mark

"writeascii - write a (portion of a) spectrum into an ASCII file"
"modified version of writespec by S.L.Patt, 30 March 1993"
"M.C.Wall MIT, 21 October 1999"
"usage: writeascii('filename') writes the spectrum from sp+wp to sp"
"         into a file in an ASCII format"

if ($#<1) then
   write('error','Usage: writeascii(\'filename\')') else
   mark('reset')
   write('line3','Creating file %s...',$1)
   write('reset',$1)
   $delta=sw/(fn/2-1) $f=sp+wp
   repeat
     mark($f):$ht
     write('fileline',$1,'%f',$f/sfrq)
     write('fileline',$1,'%c',',')
     write('file',$1,'%f',$ht)
     $f=$f-$delta
   until $f<sp
   write('error','Done!')
endif

Subject: Re: Ascii files

The (undocumented) command

	wrspec('filename')

or

	wrspec('filename',n) for the n'th spectrum in an array

produces a file containing the frequency in Hz and the intensity for 
each data point (i.e. 32k pairs for fn=65536), but the frequencies are 
not referenced.


Hi Lew,

 the user library contribution "writetrace" not only does (Y..Y)
    output, but it also includes a second macro "writexy" which does a
    two-column output, as desired (and it's a macro, so you can change
    the format!).  Beyond this, "bin/parhandler" can do X,Y output, too
    (besides the standard X(Y..Y) format - both in JCAMP-DX format
    which is a public standard, but probably not exactly what you need.
    I attach both contributions.


Dear Lew,

I recently read your posting to the AMMRL asking if there was an easy 
way to export a two column table containing chemical shifts and 
intensity from VNMR. Have you been able to get the data out that you 
wanted?

If not, our ACD/2D NMR Processor can import your native Varian files (1D 
and 2D), plus a number of other instrument vendor's files, and can 
easily compile the data you are looking for. Once the data has been 
compiled in the "Table of Chemical Shifts" you may either export the 
table as an ASCII file, copy and paste it into another MS Windows 
application, or simply dump all of the information into the report 
editor and print out your spectrum.


I made this drawing in less than five minutes, but it took me sixty 
years to be able to do that
Pierre-Auguste Renoir (1841-1919)

Facts are always popping up to confuse the theories
Carlo Dossi



For more information visit: http://www.acdlabs.com/um/eum04/