- Command arrow() to create arrows programmaticaly.
- No more superscripts and subscripts in the title.
- The dimensions of the raw data matrix can be changed inside the Metadata dialog.
- Command setfid(), equivalent of the metadata dialog.
- Jeol Delta filter extended to deal with arrayed 1-D experiments.
- Oblique grid, oblique marks and oblique selection in (oblique) stacked plots.
- New option inside the Process Folder dialog: Close documents after processing (for large arrays of 2-D spectra).
- New CPM command: Add Whole Folder.
- Large spins systems can be simulated (up to at least 13 spins, with or without magnetic equivalence).
- No more crashing f you try creating a larger system.
- Stable simulation of degenerate dynamic systems.
- When printing, lines have a rounded cap.
- Smart Reload (switches from the contour plot to the fast plot).
- The palette can be positioned into the dock area.
- Integration labels (brackets) can be dragged up and down.
- New command for scripting: shell.
- Simulation documents remain visible when iNMR is suspended.
- The console does not appear automatically.
- The command “Console” hides the console if it is already visible.
- The command “exit_to_iNMR” has been removed.
- Symmetrization of INADEQUATE spectra.
- Marks and monitor remains visible when iNMR is suspended.
- Simulation of 13-C spectra.
- The J Manager counts the number of entries.
- When you click on a mark and on a note the the same time, you grab the mark and not the note.
- New command: Fast Selection.
- The Jeol filter is more stable and complete: imports the nucleus information.
- The Bruker filter is more accurate: identifies the arrayed epxeriments.
- New CPM command: Copy Table (to handle 2-D arrayed experiments).
- Visual feedback after 1-D Linear Prediction.
- Volume-Fitting of 2-D Cross-Peaks.
- New Importing filter: Nuts files (1-D only).
- Compatible with old versions of ChemDraw.
- New Preference: Arrows Can Zoom.
- New Menu Command: Edit > Call Open Babel.
- New Menu Command: Tools > Cross Peak Manager (unfinished and undocumentd).
- Atomic symbols inside mol files can be much longer than what is normally allowed.
- Alt-wheel to amplify the integral curves.
- Cmd-wheel to zoom.
- New general preference to leave a gap under the projections.
- You can see an internal trace if you put a vertical mark on a 2-D plot.
- The Overlay Manager contains two new fields (amplification factors for the projections/traces along X and Y).
- You can alternatively change them with the scroll wheel (outside the Overlay Manager).
- Magnifying the 2-D plot with the scroll wheel does not affect the projections.
- When you pan till the end of the scale, there is no more expansion.
- A new icon into the J Manager to generate persistent labels from the names of the multiplets.
- Caps-Lock + click (with the integrator tool) splits an existing 1-D integral region.
- Select a region with the normal pointer, then select the "info" tool, to stamp the distance.
- New tabular Style for the J Manager.
- Now you can define up to 30 systems.
- Bruker INADEQUATE are recognized as having 2 independent axes.
- The menu for spin systems into the Define dialog is as long as needed, and as short as needed.
- Dynamic Simulation: the "step" is interpreted as a percentage value when changing a rate constant.
- You can define relations between rate constants like: k13 = k12z.
- The dialog to define the above z or other constants is "Simulate > Your Constants".
- A couple of bug fixes.
- Filter to import ParaVision files.
- DOSY: the user can choose between a linear scale and a log scale.
- New application for the simulation module: linear least square calculation of the concentrations into a mixture.
- New console commands: choosefile(), resize().
- Two reporting styles are stored: one for proton spectra and another for hetero-nuclear spectra.
- The icon extract automatically translates a list of peak labels into singlet entries in the J Manager.
- The progressive vertical offset between overlays can be adjusted directly in the main window (click & drag).
- The Search module includes a generous graphic preview of the data.
- If there is a script called autoexec.lua, it is applied automatically to any new FIDs.
- A message invites the reader to install OpenBabel, only if required.
- Importer for 2-D Spinsight spectra.
- New console commands: solvent() and exit_to_iNMR()
- Correct behavior of Page-Size windows (when they are reopened).
- [ChemDraw molecules can be imported from the clipboard.]
- The Bruker filter takes into account the vintage pulse programs ending in -tp, -sh, -gs and -st.
- The Jeol filter takes into account the digital filter, when it is found.
- Exotic weighting functions: adjusted sine/cosine, trapezoidal, Traficante, linear ramp.
- Command rkpp().
- The suppression algorithm skips the Bruker digital filter prologue.
- The commands getf() and weight() have been extended.
- The internal scripts can be auto-running.
- Command phrow() to correct the phase of single rows in a matrix.
- Contains a Spotlight plugin compatible with Mac OS 10.6.2.
- A new module to tabulate arrayed experiments.
- The baseline dialog reports which dimension is f-1, f-2 or f-3.
- A new module to simulate a multiplet under all conditions (e.g.: in 2-D spectroscopy).
- 3 memory leaks have been closed.
- Real Time Smoothing of nD processed spectra.
- Recompiled with XCode 3.2.
- QR-DOSY (multi-exponential fitting).
- The Bruker filter reads the parameters STRS and STSI.
- First Point Multiplication of FIDs
- The 2-D Peak-Picking can optionally show the intensities instead of the frequencies.
- The Stacked Plot allows single rows.
Mono-exponential processing of DOSY spectra.
3.1.6 (iNMR reader only)
Fixes a problem into the dialog for 2-D baseplane correction.
- This update is REQUIRED for the users of Mac OS 10.5.7.
- Global Cross-Hair (synchronized in all windows).
- Step window function.
- Variable-length sine-bells.
- New keyboard shortcuts for the keyboards without 'Home' and 'End'.
- 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.
- [scale dialog] New option: drawing can be clipped to a box (visible frame). This option can be independently activated for each subplot (inset).
- There is also an associated keyboard shortcut: b.
- The top margin of the 1-D plot can be dragged up and down.
- Insets can have a grid, like the main plot.
- New submenu (Split Plot) to create subplots (insets) with a single command.
- The default weighting function for non-phase sensitive 2-D is the squared sine bell.
- Restyling of a few dialogs. New default colors.
- The dollar sign shows/hides the scale unit.
- Textual notes can be rotated.
- Key combinations Alt-4 and Alt-6 (substitute for Ctrl-4 and Ctrl-6 without entering in conflict with Spaces).
- The unlocking key is stored within the personal preferences if the user is not an administrator.
- The Bruker importer checks if the processed spectrum has been truncated.
- Fixed a bug that prevented to export a portion of an hypercomplex spectrum.
- The overlays are reproduced inside the insets.
- The cross-hair tool is duplicated in synchronized windows.
- New option before Synchronization: Do Not Tile (necessary if you have 2 monitors).
- The Fast Plot is completely opaque.
- 8 new palettes of colors 8.
- New user preference and new shortcuts to change the colors of the Fast Plot.
- Improved Alice filter.
- It's a free upgrade, but requires a new key.
- BRAND NEW MANUAL. It certainly contains a lot of typos.
- It takes a little less to open the tools palette at start-up.
- If a simulation appears inside a container, now the chemical shift labels are not shown.
- New Preference: Fixed Size.
- Removed Preference: Anti-Alasing (can't be disabled now).
- Shift-J creates a note from the interpolator tip (used to be Control-click).
- New contextual commands to copy a frequency value.
- The custom formats don't change the amplification when applied.
- Two commands have been moved under the Help menu (from the iNMR menu).
- Stacked Plot in reversed order: now the spectrum at the bottom covers the other ones.
- 1-D Baseline Correction can now be applied to a limited portion of the spectrum.
- The syntax of the command perm() is different: it takes no arguments; the action is applied to the current selection.
- other undocumented corrections.
- Now with a Quick Look plug-in.
- There are two options to customize the said Plug-in.
- New version of the Spotlight plug-in.
- The pulse sequence is visible within the metadata.
- The relaxation delay is optionally annotated (shortcut: L).
- The Open dialog remembers its size in Leopard too.
- The manual is searchable.
- Fixed a bug inside the search module.
- An alert appears if a non-admin registers the program.
- Recompiled with XCode 3.1.1.
- The peak-picking can optionally show the line-widths.
- The J Manager, if necessary, sorts the Js in decreasing order before generating a report.
- [spin systems] generalized refreshing.
- [spin systems] A new button to uncheck all parameters.
- If you download a future upgrade with iNMR itself, it will be saved on the Desktop.
- A new, faster engine.
- Requires less memory.
- Automatic Phase Correction of 2D experiments (2 algorithms).
- New command: Phase Inversion.
- A new button (“Reset”) inside the Manual Phase Correction Module.
- Filter to import Philips data.
- Filter to import unprocessed NMRPipe files.
- Processing of 3-dimensional Varian spectra (all kinds).
- Extraction of horizontal planes.
- Single planes can be exported from a cube.