PC Processing etc - Summary

Lazaros Kakalis (kakalis@andromeda.rutgers.edu)
Fri, 3 Aug 2001 16:26:54 -0500 

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Many thanks to all of you who responded.
I inquired about low-cost software / freeware to process Varian 1D or 2D =
data off-line on a PC,=20
as well as the ability to import data in documents.=20
Here is a summary of the 30 or so responses I got. =20

One approach is to use an X-windows emulator running under Windows (such =
as Xwin-32 fromStarNet and XThinPro from Labtam). Mentioned prices range =
from $ 50-60 (XThinPro) to $100 (XWin32) and upward (Exceed).
The PC user can log into his account on the spectrometer workstation and =
process data using Vnmr. Processed data can be annotated, stored in a =
variety of formats (that may be imported in documents) or plotted using =
the jdesign, jplot features of Vnmr. More details in messages by Steven =
K. Silber ( s-silber@tamu.edu), Jeffrey H. Simpson (jsimpson@mit.edu), =
Gregory A.Nemeth  (gregory.a.nemeth@dupontpharma.com), and Roger Kautz =
(rkautz@lynx.dac.neu.edu)=20

The simplicity of this approach must be balanced against potential =
security problems with all these remote logins, and slowdown or even =
crash of Vnmr by simultaneous processing and/or acquisition.

Mestre-C (http://qobrue.usc.es/jsgroup/MestRe-C/MestRe-C.html) has been =
recommended by many as a good, easy-to-use piece of freeware for =
handling 1D or 2D datasets. Spectra can be pasted through the clibboard =
into PowerPoint (for editing) and into WORD. =20

The freeware? NMRdesk (http://www.uni-jena.de/~p6scth/nmrdesk.html) may =
interest some. No comment here as  I have never used it.=20

In terms of low cost software NUTS from Acorn NMR  (www.acornnmr.com) =
appears to be the most popular solution. For basic1D, there is the Lite =
version at $100. For 2D there is the Basic version for $750 and the =
NUTS-Professional for $1,000. There is a free shareware version on the =
web site at http://www.acornnmr.com/shareware.htm
that includes import filters and basic 1D processing.

Another (modular) software that comes with spectral prediction and =
structure drawing for assignment is by ACDLabs ( =
http://www.acdlabs.com). No price information here.


Lazaros Kakalis

Rutgers University at Newark
Department of Chemistry
73 Warren Street
Newark, NJ 07102-1811
=20
Tel: (973) 353-5040 (office, lab)
Tel: (973) 353-5329 (secretary)
Fax: (973) 353-1264
Email: kakalis@andromeda.rutgers.edu


=20

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Many thanks to all of you who=20
responded.




I inquired about low-cost software / =
freeware to=20
process Varian 1D or 2D data off-line on a PC, 


as well as the ability to import data =
in=20
documents. 


Here is a summary of the 30 or so =
responses I got.=20
 


 


One approach is to use an =
X-windows emulator=20
running under Windows (such as Xwin-32 fromStarNet and XThinPro from =
Labtam).=20
Mentioned prices range from $ 50-60 (XThinPro) to $100 (XWin32) and =
upward=20
(Exceed).


The PC user can log into his =
account on the=20
spectrometer workstation and process data using Vnmr. Processed =
data can be=20
annotated, stored in a variety of formats (that may be =
imported=20
in documents) or plotted using the jdesign, =
jplot features of=20
Vnmr. More details in messages by Steven K. Silber ( s-silber@tamu.edu), Jeffrey H. Simpson (jsimpson@mit.edu), =
Gregory A.Nemeth  (gregory.a.nemeth@dupontpharma.com), and Roger Kautz (rkautz@lynx.dac.neu.edu) 


The simplicity of this approach must be =

balanced against potential security problems with all these remote =
logins,=20
and slowdown or even crash of Vnmr by simultaneous processing and/or=20
acquisition.


 


Mestre-C (http://qobrue.usc.es/jsgroup/MestRe-C/MestRe-C.html) has been =
recommended by=20
many as a good, easy-to-use piece of freeware for handling 1D or 2D =
datasets.=20
Spectra can be pasted through the clibboard into PowerPoint (for =
editing) and=20
into WORD.  


 


The freeware? NMRdesk (http://www.uni-jena.=
de/~p6scth/nmrdesk.html)=20
may interest some. No comment here as  I have never used =
it.=20



 


In terms of low cost software =
NUTS from=20
Acorn NMR  (www.acornnmr.com)=20
appears to =
be the most=20
popular solution. For basic1D, there is the Lite version =
at $100.=20
For 2D there is the Basic version for $750 and the =
NUTS-Professional for=20
$1,000. There is a free shareware version on the web site at http://www.acornnmr.com/shareware.htm
that includes import filters and basic 1D=20
processing.


Another (modular) =
software=20
that comes with spectral prediction and structure drawing for =
assignment is=20
by ACDLabs ( http://www.acdlabs.com). No price information=20
here.


 


 


Lazaros Kakalis


 


Rutgers University at =
Newark
Department of=20
Chemistry
73 Warren Street
Newark, NJ 07102-1811
 
Tel: =
(973)=20
353-5040 (office, lab)
Tel: (973) 353-5329 (secretary)
Fax: (973)=20
353-1264
Email: kakalis@andromeda.rutgers.edu


 



 


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