Processing Templates

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Mnova includes a powerful and flexible feature which allows the user to easily automate the full processing of both 1D & 2D NMR data sets. This is ideal for the batch processing of spectra of the same type, and can also incorporate analysis operations.

 

For example, let's say you have acquired 20 proton spectra which you want to process using the same processing operations. The procedure is:

 

1. Load one spectrum and process it as desired.

2. Go to Processing/Processing Template. The following dialog appears:

 

FullProcessing

 

This dialog includes all the processing and analysis features implemented in Mnova. You can choose the required options by selecting the check boxes and, if necessary, specify options by clicking the button 3dots; next to the corresponding command.

 

3. Once you are happy with the result, save the script file to a Mnova Processing file (*.mnp) by clicking on the save button in the dialog box.

 

4. You can now apply this processing script file to any other spectrum/spectra by selecting the spectra you wish to process following this procedure (one or several spectra), and then opening the previously saved file by using the open command in the Processing Template dialog box.

 

 

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A few helpful tips ...

 

1. If you want to apply a processing script to all the spectra opened in one document, first select all the spectra in all the pages.

2. Next you can simply go to Processing/Recent Processing Templates and select the appropriate processing file script.

3. Remember that only spectra acquired using the same conditions should be processed using a processing script file. For example, if you have acquired a spectrum using a sequential mode and another one using simultaneous quadrature detection, you will get erroneous results.

You can set a processing template by default from the 'File/Preferences/Import' dialog:

 

Import_Template

 

You can report into Mnova the processing template you have created, just by clicking on the 'Report' button. From the scroll down menu, you will be able to 'copy the report to clipboard' and to customize it:

 

report_processing

 

Use the script below to run a saved processing template:

 

//<GUI menuname="ApplyProcessingTemplate"shortcut="Ctrl+2"tooltip="Apply a saved processing template"/>

function ApplyProcessingTemplate()

{

var spec = new NMRSpectrum( nmr.activeSpectrum() );

var processing = new String;

if (!spec.isValid())

return;

processing = "C:\\ProcessingTemplate.mnp";

nmr.processSpectrum(spec, processing);

spec.process();

mainWindow.activeWindow().update(); 

}