Tag Archive for 'nmr'

iNMR: the end to all longings for a Mac NMR software

Published by dekay on May 6, 2006 in links, mac and science. 1 Comment

iNMR

Year: 2006

Version: 0.6.3

Author: Giuseppe Balacco

Platform: Mac OS

Category: Utility

Publisher: Mestrelab Research

Price: EUR 100

I am in the process of doing a detailed review; this time written with a outputthis.org template… stay tuned for the review which will appear here shortly.

Tags: software, mac, nmr, chemistry, science, inmr

NMR Solvent peaks

Published by dekay on November 4, 2005 in science. 0 Comments

Many nmr solvent peak lists are very useful but not complete. I usually just refer to the J.Org.Chem article by Gottlieb et al. for solvent peaks, the corresponding chemical shifts for water and other commonly used solvents) - but DMF is not on that list as a solvent. A quick googling returned this list:NMR-Lösungsmittel. The introductory text is in German, and translates as:

br = broad signal, m = fine structure of peaks
*water peaks* depending on concentration and polarity of the dissolved compounds the water peaks may be shifted a bit; temperature differences also influence the chemical shift of water. All 1H-spectra show a broad water peak as a result of atmospheric humidity - usually this peak is neglectable, but in very dilute solutions your integrals may be affected

this is the Google search, resulting in another good table, another one, and many more ;)

iNMR: NMR processing for Mac OS X

Published by dekay on October 23, 2005 in science. 1 Comment

I student of mine just told me about iNMR… and since I like looking at α software (the version is supposed to be 0.0) I gave it a shot.

  1. First impression: horrible. No toolbar, nothing mac like, as far as I am concerned. A look into the menu bar revealed some functions, but somehow I was missing the functionalities of Win-NMR or XWin-NMR (which, of course is a) not a nice thing to do, comparing a newcomer to the old bastards and b) which is in itself unfair again, as both apps are not on OSX and have horrible interfaces.) But then I gave it a try…

  2. Second impression: well there are many functions available, I accidentally started hitting keys on my keyboard and suddenly I could do all sorts of things: integration, zooming, marking…

  3. Third impression: the web based documentation is superb. The graphics are nice.. (and you can also take screenshots)

iNMR

Summary:

This little app is very promising. It is ba far the best NMR app I have seen on OSX so far, and this is just a very early pre-release. Although i am not very happy with a) the interface and b) the pricing (yes, it is very early and pre-release — I can also understand why the makers are doing it, doesnt mean I need to be happy with it!).

I will give it a look later on - and I might end up buying a license for myself - just to make pretty pictures for my thesis… ;)

NMR Software for MacOSX

Published by dekay on September 19, 2005 in mac and science. 0 Comments

The NMR processing software RMN is now available as an alpha version for MacOSX.