Routine Workflow
With the program in its standard configuration, if you open a spectrum and see the FID, it means that this is the first time that you are working on it with iNMR. You can choose between standard processing, which only requires a few mouse clicks, or custom processing. The palette offers rapid access to the most frequently used functions. Open the palette with the command Tools > Palette. The tooltip (yellow tip), that appears when you hover the mouse over an icon, tells you which menu commands it corresponds to. When this manual says to use a command, you are free to choose it from the palette or from a menu or to use the corresponding keyboard shortcut.
To Process a Generic 1H Spectrum:
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Open the file containing the spectrum.
On the Mac, you can alternatively drag the folder containing the spectrum onto the iNMR icon. -
Choose the command Process > FT now.
On the Mac it appears when you hold down the alt key. If you prefer custom processing, choose, instead, Process > Fourier Transform. It opens a dialog for setting zero-filling, weighting and other options. -
Adjust the amplification, if necessary.
A double-click inside the plot area changes the amplification so that the tallest peak fits exactly in the window. The plus and minus keys have an intuitive effect on amplification. -
Correct the Phase.
iNMR has already applied a rough automatic correction. If this is not enough, either choose Process > Automatic Phase or correct the phase manually. -
Correct the Baseline.
Choose Process > Baseline Correction and click OK or, to make things faster, click the corresponding icon (red signal with a gear). -
Calibrate the Frequency axis.
Right-click the reference peak, choose Reference Scale and enter the correct ppm value. - Define the Integral Regions.
- Automatically: choose View > Auto-Integrate.
- With the mouse: pick the Integrator tool and drag over each multiplet.
- Without the tool: select each region with the mouse and press “i” on the keyboard.
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To normalize the numerical values:
Pick the integrator tool; double-click an integral; enter the normalized value. -
Pick the Peaks.
Select the peak-picker tool, click above the noise level but below the peaks' height and drag over the regions of interest. -
Extract shifts and couplings.
Choose View > J couplings to open the module called J Manager; select a multiplet and press “e” on the keyboard. To generate a formatted list, click the icon report, in the J Manager.
There are many other ways for you to do the same things and there are many other things you can do with iNMR, of course.