Nuclear Magnetic Resonance (NMR) is a leading spectroscopic method for scientific and medical applications.
After 50 years of development, the use of NMR spectrometers is largely automated. But the analysis and
interpretation of acquired data remain to be done manually. ScienceSoft LLC develops software to automate the
multidimensional NMR data analysis.
This Web site (1) describes our NMRanalyst,
VerifyIt, LockIt, and
ShimIt software, (2) offers the NMRanalyst software with the AssembleIt,
FindIt, and VerifyIt modules for purchasing, (3) explains our automated analysis technology,
(4) supplies software documentation, and (5) provides software support.
Our NMRanalyst publication in J. Magn. Reson. is freely accessible from
NMRanalyst 3.5 has been released. Click here for ordering information.
AssembleIt's FindIt module provides dereplication of NMR data with a database of over 14.5
million unique organic molecular structures. AssembleIt's VerifyIt module checks the
consistency of NMR data with a specified molecular structure and provides best carbon and proton assignments
HSQC and HMBC spectra are not limited to carbon, but can also be used for 15N at natural abundance.
See strychnine for an application of
15N-HMBC to locate nitrogens in molecular skeletons.
AssembleIt's molecular skeleton determination from sensitive proton detected NMR is now applicable to larger
molecules. With our new HMBC Weak threshold, our sample applications can
be solved in one minute each.
supported on Red Hat
Linux (Enterprise 5, Enterprise 6, and compatibles), and Microsoft Windows
(XP, Vista, Windows 6 with installation in XP compatibility mode).
Reinhard Dunkel, Ph.D.
9934 Pinehurst Dr.
Sandy, UT 84092
Phone (Email preferred): USA (801) 816-0163