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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 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 1-H Spectrum:

Step 1

Open the file containing the spectrum.

If your spectrum corresponds to a folder, choose any of the files at the top level of that folder. iNMR will then show the raw, time-domain, data.

On the Mac, you can alternatively drag the folder containing the spectrum onto the iNMR icon.

Step 2

Fourier Transform.

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.

Step 3

Adjust the amplification, if necessary.

A double click inside the plot area changes the amplification so that the the tallest peak fits exactly into the window. The plus and minus keys have an intuitive effect on amplification.

Step 4

Correct the Phase.

iNMR has already applied a rough automatic correction. Should it be not enough, either choose Process > Automatic Phase or correct the phase manually.

Step 5

Correct the Baseline.

Choose Process > Baseline Correction and click OK or, to make things faster, click the corresponding icon (red signal with a gear).

Step 6

Calibrate the Frequency axis.

Right-click the reference peak, choose Reference Scale and enter the correct ppm value.

Step 7

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.

Step 8

To normalize the numerical values:

Pick the integrator tool; double click an integral; enter the normalized value.

Step 9

Peak the Peaks.

Select the peak-picker tool, click above the noise level but below the peaks height and drag over the regions of interest.

Step 10

Extract shifts and couplings.

Choose View > J couplings to open the madule called J Manager; select a multiplet and press “e” on the keyboard. To generate a formatted list, click the icon report, inside 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.

Related Topics

About Processing

2-D Processing