features Caution: iNMR is not the kind of 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. It normally takes a few days. There is also a constant exchange of code and know-how between nucleomatica and MestreLab Research. If you like a feature of MestreNova that is missing into iNMR, just ask: it will be easy to add! The purpose of the following table is to compare our three more recent products (iNMR version 1, iNMR version 2 and iNMR reader), not to compare iNMR versus its competitors. Do not choose your NMR program by counting the number of features. It doesn't make sense, since we update iNMR substantially almost every month. The application is already so vast that very few human beings have explored it all. And it's still growing! Base your choice on the look and feel: this is a stable characteristic and it's the one that eventually determines your productivity. For this reason, you are free to download iNMR and experiment with it as long as you like.

... but, if you really want to compare different products ..

... this is what you should ask yourself. How fast is this program? Does it implement:
  1. 3D NMR?
  2. Quantum-Mechanical simulations?
  3. Dynamic NMR simulations?
  4. Multiplet analysis?
  5. Real Time 2D Phase Correction?
  6. Spotlight?
  7. Apple Scripts?

List of Features

  pro feature = absent in iNMR reader
 

new feature = absent in version 1
  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, Mnova, 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, binary sub-matrix.
  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.
 

Live FT, 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, Full + Monitor command, 3D stripes
  DATABASE

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

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