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1.6.6

New preference to control the mighty mouse.

1.6.5

recognizes more JCAMP files (FIDs exported from TopSpin).

1.6.4

contains minor fixes inside the Aspect importer, the MacNMR importer and the Metadata dialog.

1.6.2

Filter to import old MacNMR spectra (1D only).

1.6.1

• Spotlight importer localized in French, German, Spanish and Italian.
• Command “Edit/Search”.
• Updated manual.
• A bug fixed (routine that draws the peak-picking labels).

1.6

• Spotlight plug-in.
• New Document Icons.
• Support for the mighty mouse.
• Formula and SMILES stored and searchable.
• Can optionally import processed data.

1.5.6

• recompiled as Universal Binary.
• custom background colors.

1.5.1

• Simulation documents can be saved on disc.
• Filter to import Siemens files.
• Compiled with XCode 2.4.
• bug fixes.

1.5

• Deconvolution (least-square fit of line shapes).
• Filter to import GE medical NMR files.
• The Open dialog has been modified to accept multiple choices (more files can be opened with a single dialog).

1.4.1

This new version adheres to the JCAMP-DX standard for exchanging spectroscopic data. It can read and write JCAMP files.
Other new features: the command “Simulate/Listing” has been refined. New defaults values for the Gaussian and the exponential line-broadening.
With older versions it was possible to import and export frequency-domain data. It was also possible to correct their phase, but this belated correction was not saved. Now it is.

1.4

• An alternative strategy for fitting simulated spectra (the equivalent of the old-time LAOCOON).
• Still in the simulation module: now you can print the two lists (input parameters and calculated lines).
• Two new application preferences:
  1. Drawer automatically opened.
  2. Document notes can take the precedence over peak labels.
• 3 bugs fixed (they were present in 1.3, but not in older versions).

1.3

Easily the biggest upgrade since version 0.0, version 1.3 sports a quantum-chemistry module to simulate and fit NMR spectra of spin 1/2 in liquids or liquid-crystals solvents. Under an intuitive and minimal interface, the following situations are handled, even simultaneously:

• chemical shifts, scalar and dipolar coupling;
• magnetic equivalence and symmetry;
• chemical exchange, including mutual exchange;
• Lorentzian, Gaussian and mixed line shapes;
• individual line widths for each nucleus, if required;
• multiple spin systems;
• X approximation (with nuclei of any spin number);
• manual or automatic fitting to an experimental spectrum;
• variable magnetic field (the same document simulates spectra at any magnetic field).

1.2.2

One of the most appreciated modules inside iNMR was the “Interactive Weight”. Before competitors could copy it, we made it evolve into the “Visual Weighting” concept. You can now monitor the effect of the lorentz-gauss transformation either on the spectrum or on the FID or you can visualize the shape of the weight itself. The parameters values are also displayed and the module sports a new, more self-explicative, layout.

1.2.1

1. Annotations can be dragged even when the text tool is selected.
2. The contextual menu for text annotations now contains two more items (smaller and larger font).
3. A new general preference to preventively specify the font of annotations.
4. The current tool can be deactivated with the <Shift> key.
5. Scale reference now imported from Bruker spectra.
6. Better compatibility with the old clipboard of Panther.
7. An rarely encountered bug has been fixed (sometimes iNMR crashed at the very first use of the text tool).
8. The manual explains how to calculate the parameters that describe the exponential and gaussian multiplication.

1.2.0

1. Optional horizontal palette.
2. The palette now doesn't hide new windows.
3. Keyboard shortcut to transpose a matrix in the XY plane.
4. Filter to read Jeol Delta files.
5. The user can save custom formats (templates) for arranging spectra with a single operation.
6. An option to reduce the glitch at the center of analog spectra.
7. Shortcut to examine the original parameters with a text editor.
8. Phase information extracted from Bruker 2D files.
9. New registration mechanism.
10. FIDs can be exported as ASCII, just like transformed spectra.

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