Dear Charlie,
Great and much needed summary. Thanks! Has anyone used RMN or iNMR?
http://www.inmr.net <
http://www.inmr.net/>
http://www.physyapps.com/rmn-intuitive-signal-processing-physical-sciences <
http://www.physyapps.com/rmn-intuitive-signal-processing-physical-sciences>
73, Peter
> On 20 Nov 2015, at 19:46, Charles Fry <fry_at_chem.wisc.edu> wrote:
>
> 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the Mac version has some differences from Windows version), poor data import from other spectrometers, difficult (and out-of-date compared to modern standards) graphics, just basic capabilities in some areas, and often quite poor documentation (although that's true of everyone in places).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
>>
>>
>>
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>
Peter Lundberg, PhD, Professor
University of Linköping and University Hospital of Linköping / Radiation Physics and CMIV
Postal address:
Peter Lundberg
Radiation Physics
University Hospital of Linköping
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Mail peter.lundberg_at_liu.se
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On MR-Education
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Received on Mon Nov 23 2015 - 12:49:29 MST