Hello,
I contacted Dr. Eichele about this very issue and here is what he said.
Hi Jacob,
> I have a question about WSolids: do you know of a way to get data from
> Bruker's current version of XWinNMR into the program? Thanks, Jacob
Basically, all that is required is to rename the files. Depending on
your equipment, there are some options:
(1) If you can get the xwinnmr files via ftp, I recommend using my
getuxnmr program. It will do the renaming.
(2) If you have winnmr, you can read and save the xwinnmr file in
winnmr file format. If you have winnmr, you should also have Getfile
that lets you copy and convert xwinnmr files.
(3) I could send you a program to read and save the file.
(4) You could rename the files manually.
To rename files manually, the following procedure could be used:
DU\USER\NAME\EEE\fid => DU\USER\NAME\EEEPPP.fid
DU\USER\NAME\EEE\acqus =>*DU\USER\NAME\EEEPPP.aqs
DU\USER\NAME\EEE\pdata\PPP\1r =>*DU\USER\NAME\EEEPPP.1r
DU\USER\NAME\EEE\pdata\PPP\1i => DU\USER\NAME\EEEPPP.1i
DU\USER\NAME\EEE\pdata\PPP\procs =>*DU\USER\NAME\EEEPPP.fqs
DU\USER\NAME\EEE\pdata\PPPP\title => DU\USER\NAME\EEEPPP.tit
The three files marked by "*" are those needed by wsolids1, the
others are only useful if you want to read them into winnmr. For
winnmr, the filenames should consist of three-digit experiment and
processing numbers EEE and PPP, e.g. 001001. wsolids1 doesn't care.
I guess that one could put the renaming tasks into a batch file.
Good luck,
Klaus
--On Tuesday, February 15, 2005 7:51 AM -0800 the heavens opened and a
voice that sounded an awful lot like "Munguia, Teresita"
<tmunguia@utep.edu> rang forth:
--> Hello All!
-->
--> I'm a graduate student at the University of Texas at El Paso. Our
--> Bruker 250 Avance Solids works great, but I'm having trouble with the
--> CSA analysis. Our software is ancient (xwinnmr 2.1) so I have to
--> export the data and use other software. I have tried two different
--> free software so far and I have a question about each.
--> 1. On Dominique Massiot's DmFit I only get values of eta CS and dCS, no
--> principal values appear. I have followed the directions for CSA fitting
--> on their website but no tables "for a better match" appear. What am I
--> doing wrong?
--> 2. On Klaus Eichele's Graphical Herzfeld-Berger Analysis v1.4.4 I want
--> to import an integration file from xwinnmr but I keep getting an error
--> (we do not have winnmr). I know it reads ASCII files created by
--> winnmr but shouldn't it read any ASCII file (plain text??)? How can I
--> get around this. If anyone has any suggestions for free software for
--> CSA MAS analysis please let me know.
-->
--> Thanks for any thoughts and sorry for the length.
-->
--> Sincerely,
--> Teresita Munguia
--> University of Texas at El Paso
--> Chemistry Department
-->
--> --
--> _______________________________________________________________________
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--> _______________________________________________________________________
--> ___
--- That is all. ---Jacob Newman Department of Chemistry, New York University 100 Washington Square East Room 1001 New York, NY 10003
Office: (212) 998-8450 Personal: (973) 563-1515
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