Jennifer,

So did you figure out to include integration information in these?
I'm hoping you are considering the reading of an independent integration file
"intrng" in Bruker format. These are super simple. Just:

P 0
1.200 1.456
2.400 3.000
...

The first line is to be ignored.
The next lines are just start/stop in ppm

Bob



Jennifer L. Muzyka wrote:

This is excellent, many thanks for starting this work. You might want

to touch bases


with Henry Rzepa (Imperial) who I think does read this list. He had a

project a while


back to do something similar. A quick question the data files have the

extension .bak


is this correct? I thought jcamp were .dx or .jdx?


Chris


Chris-
The data files are indeed supposed to have the extension .jdx or .dx.
The .bak is an artifact from when I modified the files and was using a
different extension to keep track of which files had been altered and
which were the originals.  I need to change the extensions beck to the
correct extension.

I haven't talked from Henry Rzepa.  That's a good suggestion.  Thanks!
-Jennifer



-------------------------------------------------------
This SF.Net email is sponsored by: NEC IT Guy Games.
Get your fingers limbered up and give it your best shot. 4 great events, 4
opportunities to win big! Highest score wins.NEC IT Guy Games. Play to
win an NEC 61 plasma display. Visit http://www.necitguy.com/?r _______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users

--

Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein


------------------------------------------------------- This SF.Net email is sponsored by: NEC IT Guy Games. Get your fingers limbered up and give it your best shot. 4 great events, 4 opportunities to win big! Highest score wins.NEC IT Guy Games. Play to win an NEC 61 plasma display. Visit http://www.necitguy.com/?r=20 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users

Reply via email to