Hi Megan,
I'm sure a number of people out there use TopSpin to process their
data. The software has some advantages in being around a long time, so
people know what it is doing, and most things it does well. It has a
simple macro language, and a workable albeit less simple au language,
both of which enable repetitive tasks to be easily carried out. It's
biggest deficiencies, in my opinion, are lack of site-licensed Mac
support (you can purchase individual licenses; beware that the Mac
version has some differences from Windows version), poor data import
from other spectrometers, difficult (and out-of-date compared to modern
standards) graphics, just basic capabilities in some areas, and often
quite poor documentation (although that's true of everyone in places).
TopSpin can be a good choice for people that are all Bruker, and are
comfortable with their plotting routine.
VNMRj was the choice for many people, but with Varian/Agilent out of
business, it's no longer a viable long-term solution. Too bad, as it
had some great features....
I have heard people say they like JEOL's Delta, but unless you have one
of their spectrometers, not sure it's a good idea. My guess is the
biggest draw is that it is free. My brief views of it suggest another
program that lacks a modern interface for graphics.
ACD makes a good solid product, and you likely should look at it. It's
Windows only; that is (for us) the biggest disadvantage. It's
ease-of-use is up to MNova, but with command line and simpler macro
features, it is better for automating tasks. ACD has the best
prediction software on the market, although it seems MestreLab is
closing the gap.
We use MNova. It was important to us to have Mac support, and that
version is nearly identical to the Windows version (the only trouble we
see is updates happening first on Windows). It imports all data types
well. But the MNova data format is proprietary (that nearly kept us
from getting it, and is still a big concern for us). The software is
very easy to use; at times, too easy (it can do things that are hard to
figure out, due to, as the main example, some parameter change that is
hidden in the numerous setup/options pages). It has no command line,
and although there is scripting support, it is quite non-trivial to
use. So automating tasks is difficult. And sometimes where a simple
typed command would do the chore, one has to dive through a series of
menus to get to the same thing (but more and more tasks now have
shortcut keys). But it is superb in a number of other areas: graphics
are very good, and can be controlled in detail; it's global spectra
deconvolution feature is unprecedented in NMR software, and very
powerful. That is complemented with the best fitting routine on the
market (similar to deconvolution, but with more control). It's ability
to stack plot and analyze, e.g., kinetics data is excellent. The
NMRpredict add-on is a solid product, although not up to ACD's in a few
ways (predictions aren't quite as good, but even more, ACD shows you
more information about how the prediction was made). We are for the
most part very happy with MNova, and don't really see a viable
competitor to it right now in the marketplace, as long as you can afford
it (it's not cheap). I regularly wish for a macro feature, I very much
would like to see improvements in baseline corrections (for all
MestreLabs talk about state-of-the-art here, there are some glaring
problems), and a better layout (centralized!) for options and setup
features.
Hope this helps,
Charlie
On 11/20/2015 12:37 AM, Kirk, Megan (MM) wrote:
>
> Dear all,
> We are considering the purchase of MestreNova NMR processing software
> so that NMR users can process their spectra on their own computers.
> Is there any other software we should be considering as well? What
> are the experiences with MestreNova?
> Thanks
> Megan
> 1 Klasie Havenga, Sasolburg, 1947
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Received on Fri Nov 20 2015 - 08:46:20 MST