I've asked the question, now its time to pay the price and
post the summary. Because we will probably have to make an
investment in off-line processing, I asked what everyone is using.
Academic managers provide an average of 3 different NMR processing
packages. Everyone has X-WINNMR. About half have either VNMR
or many copies of NUTS. One fourth use Mest-ReC. No one admits
to using a searchable database.
Industrial managers support 1.7 different processing packages.
Two rely on ACD Spectrum Manager and one on NUTS.
As one manager pointed out, X-WINNMR 3.5 will support multiple
users. However, additional licenses will be required. To keep
costs down, you can purchase processing only XWINNMR/XWINPLOT
licenses for $1.2k or 5 for $5k.
Not sure what direction we'll take yet. As is customary in our
field, the target keeps moving. TOPSPIN will probably replace
XWINNMR. Searchable archives are becoming easier to build and
your life's spectra may be stored on one or two 320GB disks.
The good stuff:
The sophisticated use their own--- FELIX, etc.
Most of the grad students here user Mest-R-Ce to process offline.
Students very much like XwinPLOT for working up data; it's a
shame is not more cost-effective to implement
VNMR works great over xhosts.
ACD Labs Spec Manager (is) a very good chemists tool. Not an
especially good spectroscopists tool.
Maybe Delta (from Jeol) is a choice. There are free licenses available,
An old software package that Bruker no longer supports but works well
for us is UXNMR/P which is similar to Xedplot but can do processing as
well. All our synthetic chemist use this software through Exceed on
their PCs for 1D processing. Unfortunately this product is no longer
supported and can only be used with SGI of IRIX OS 5.X or Sun Solaris
but we still use it since it costs us nothing and is better than most of
the stuff that is presently available. Also quite easy to learn since
it is all object oriented.
2Ds, most of our users will use either the XWINNMR or FELIX-2000
1Ds, the users will use either NUTS or XWINNMR.
NUTS 1D is very good for widespread workup,, it is being used by >90%
of our users.
Mentioned Software: ACD Labs Spectrum Manager/HNMR/CNMR, Delta, Dyana,
FELIX-2000/95, Mest-R-Ce, NMR-pipe, NMR-View, NUTS 1D/2DPro,
VNMR, WINNMR, and XWINNMR.
Thanks to John, Sandip, Charlie, Phil, Martha, Marc, Charles, Kurt, M,
Patrick, and Rainer for your thoughts.
dave scott
iowa state university
Indecision is the key to flexibility.
Received on Wed Jan 15 2003 - 11:43:47 MST