iNMR 3.1.4

Processing and analysis of NMR data.
iNMR is a very nice software designed for the processing and analysis of NMR data in a Mac environment.

You will see that iNMR is fast enough even with 3D spectra, even if you use an old iMac G3.

iNMR is not a product that you find on the shelves of your local shop. It is not the classic box that either you take it or you leave it. Now you can ask for more! If there is something missing here, it will be added after your request.

Main features of iNMR:

Imported Formats
· SwaN-MR, JCAMP-DX, Bruker (Aspect, Win-NMR, XWin-NMR, TopSpin), Varian, SpinSight, Tecmag (NT-NMR and MacNMR), Jeol Delta, GE Medical, Siemens.
· ASCII tables, Jeol Alice, Jeol GX, NMRPipe, MacFID, nD Siemens, chemical files (.mol, .cdx, etc...), picture files (.jpeg, .tiff, .pdf, etc...).

Exported Formats
· PDF.
· Binary, JCAMP-DX, ASCII tables (data points, peaks, integrals, etc...).
· Sparky, PNG, JPEG, TIFF, PICT, free-size PDF, GZIP.

Processing: 1D, 2D and 3D
· (Hypercomplex) Fourier Transform, Weighting Functions, Linear Prediction, Solvent Suppression, Matrix Symmetrization (including J-resolved spectra), Tilting, Absolute Value, Hlbert Transform, Binning, 7th degree Polynomial Baseline Correction, Manual and Automatic Phase Correction.
· Reference Deconvolution, Removal of t-1 noise, Automatic Integration, Whittaker Smoother for Baseline Correction, "Metabolomic" Phase Correction.
· Batch Processing
· Extreme Batch Processing (> 100 spectra per batch).

Analysis
· Integration (1D and 2 D), Peak-Picking, Deconvolution (1D line fitting).
· 2-D and 3-D Peak-Picking; Multiplet Analyzer.

Simulation
· Static Spin Systems, Residual Dipolar Couplings, Chemical Exchange (aka Dynamic NMR), Manual Fitting, Total Lineshape Fitting, Laocoon-type Fitting.

Scripting
· Hot Keys.
· Optional Command Line, Programmability, Lua Interpreter, AppleScripts.

Working with Multiple Spectra
· Overlays, Differential Spectroscopy, Overlay Manager, Tiled Spectra, Synchronization, Opening by folder.
· Processing by folder.
· Exporting by folder.

Annotations
· text, Unicode, arrows, frames, brackets, chemical formulae and expressions, pictures, color, transparencies, drag & drop.
· Container Documents, Replicas, Styled Text.

Exploration
· monitor (bulls-eye) tool, pages, cutter tool, interpolator tool, free size,
· Cross-Hair tool, Chessboard plot.

Database
· Your saved spectra are automatically indexed by Spotlight and can be retrieved with the free Speclight (also embedded into version 2).


Limitations of iNMR:

Print and copy are disabled.

Trial version quits after 1 hour.

What's New in This Release:

New menu command: Simulate List of Peaks.

New contextual sub-menu: Align notes.

Groups of notes can be moved together with the arrow keys.

A menu command has been renamed, a keyboard shortcut has been reassigned.