Linemin=min(xydata(:,1))-lineover range(xydata(:,1)) Printf("\n\n= Your Diff coef is %g, Rh=%g = \n \n", D, Rh) Leasqr(xydata(:,1),xydata(:,2),pguess, fitfunc) % xydata= gradients in %, echo intensities It would be a nice feature to help us find out why different experiments give completely different results :-) And believe me, it happens quite often.īelow I show you how I fitted a Dosy of DMSO using the program Octave (additional function leasqr required): Maybe here is a suggestion for Mestrenova to plot the fit (Echo Intensities Vs Gradient Intensities) as well. Dosy expts are quite sensitive to conditions and may easily give wrong results. When doing the fit, check if the points are deviating in a random manner from the fitted curve, discard your experiment otherwise. (obs: VnmrJ does show you the fit graph). There is no other way to know if you have a reasonable fit or a curve trying to fit crazy points. Thus if you use topspin you better plot the data in a math program as well. I have experienced some strange behaviour of topspin distributing data points in incomprehensible manner. If you are interested in checking the quality of your fit however, you better get the data points from MestreNova and plot it yourself (intensities Vs gradients plot, I mean). We will be happy to answer any of your questions.Mestrenova will do nice 2D plots of Dosy for you, what helps a lot to identify different substances.
HOW TO USE MESTRENOVA LICENSE
Go to ‘Help/Get-Install’ menu and click on ‘Install’ button (‘Help/Evaluate-Buy’ and click on ‘Activate’) then navigate to the license file and double click on it.įor qNMR and RM plugins, download from the website and drag into Mnova suite.
HOW TO USE MESTRENOVA SOFTWARE
Download the latest version (12.0.4) of the software hereĥ.
Save the licenses you need (MS, NMR, qNMR, RM or NMRpredict) on your computerģ. Find the license folder here: \\\ccart\MnovaĢ.
For more information on their functionalities and installation, please visit MestreLab website Three other advanced plugins are also available to add to the NMR component:, NMRPredict ( 1H and X-nuclei spectrum prediction based on molecule structure) qNMR (for quantitative NMR) and RM (reaction monitoring). Please note that the server is only accessible from within MUN firewall (and not on STU network).
HOW TO USE MESTRENOVA HOW TO
Instructions on how to access your data can be found here. You will then be able to renew it, as long as there are seats available.Īs an aside, we’d like to stress the importance of backing up your data from our server to your computer. You should also be aware that non-CCART users will be automatically removed from the server and that your license will expire automatically if not used for 90 days. You will be able to download the software on your own laptop and use it anywhere, even off campus.ĭue to the limit of seats (50), we reserve the right to give access in priority to graduate students who are currently using the facilities on a regular basis. All you have to do is to follow the instructions below and have a CCART account. C-CART made the acquisition of a campus license for Mnova Suite for NMR and MS data processing.
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