Automatic Integration and Automatic Scale Fragmentation of 1-D Spectra
Choose View > Integrate now.
On macOS, this command appears only while the Option key is held down.
It performs automatic integration
(any pre-existing integral region remains unaffected)
by applying a chain of filters. Each filter can reduce the number of integrated regions.
The very first filters are hard-coded into the program and cannot be modified.
The last three filters are user-adjustable.
Choose View > Auto-Integrate (without the option key).
Now the three filters are displayed and you can verify, in real time, what happens when you modulate them.
The filters are applied in succession and should be adjusted in the same order, from top to bottom.
You can use the usual navigation keys
to control what happens in different parts of the spectrum.
On Windows, you need to click the word “interact” to enable navigation.
What Each Filter Does
- minimum width (points) - If an integral region contains fewer points than this value, it is filtered out. When the value is 1 point, this filter has no effect.
- merging distance (ppm) - iNMR adds more space on both sides of each integral. If two integrals are very close to each other, they will be merged. When the value of this filter is 0 ppm, it has no effect.
- maximum allowed ratio - This value corresponds to the normalized intensity of the highest integral. All integrals whose normalized intensity is lower than 1.00 are eliminated. The higher the value of this parameter, the more integrals are created. When you set this value = 5, for example, the weak integrals (less than 20% of the tallest one) are eliminated. You can set values higher than 200 when you run this command from the console, yet you will normally prefer smaller values. Negative integrals are never created by the automatic routine.
Instead of creating integrals, iNMR can automatically create multiple expansions of the same regions (what you normally achieve with the cutter tool). You have a switch at the bottom of the dialog to choose between integration and cutting.
Related Topics
Tabulating the Integrals of a Series