Import

There are some specific spectral formats (such as ACD Labs, LC Model ASCII, Philips Achieva, GE-P, Siemens Syngo, Siemens Spectro, Magres...) which can only be imported in Mnova by using the scripting engine.

To import these kinds of spectra, just run Mnova, follow the menu 'Tools/Import' and select the desired format

The user can use these scripts as a starting point to import any other spectral format. If you need help about it, just contact us.

Mnova includes a powerful script which makes it possible to import all spectra (1D, 2D, mnova documents, UV, IR, Raman, etc) contained in a folder and automatically stack them for forthcoming R-M analysis. This script is under the "Tools/Import' menu and it is called ‘Directory Spectra Stack’. It will allow the user to select the directory where the spectra are contained. Then Mnova will open and process all those spectra (FIDs) automatically in bunches of 20 spectra and finally will stack all of them.

Note: This script has also the option to decimate the spectra while loading (i.e. the program can skip every 10 spectra in the data set) and to apply a processing template (or to load the 1r processed data):

The script will firstly apply the spectral data filtering and then the data chunking. You can filter by any parameter displayed in the Parameters Table; you can find below an example to filter by experiment (13C):

The 'Preview Files' button will preview inside the File Path Filtering in order to list all files which will be processed.

- Chunking: the check box will disable/enable the feature, allowing the user to define data intervals. If the 'Number of chunks' checkbox is disabled, it will take all chunks since it found the first spectrum (going up to the end). For example, the settings above could be used to get a stack of just the first 96 spectra. The script will not go on importing the rest of the spectra to end of the directory.

You can change the 'default import' options for your datasets, just by using the 'ImportProcessing' script. You will find an example of that script called "customImportProcessing.qs" in your Mnova installation folder. You can freely edit this script to make your own automatic import processing options or even you can create 'Processing Templates' that will be applied automatically over your spectra after having loaded them in Mnova.

MultiOpen script: Mnova incorporates a script named 'MultiOpen Wildcard' (under the 'Tools/Import' menu). This tool is very useful if, for example, you have to routinely handle a large number of datasets.

The script allows to open simultaneously a collection of several spectra. Make sure that all spectra are located in the same folder:

Finally, write the 'Path Mask' name (you can use wildcards, so this could be, for example, */10/pdata/1r, or just */fid, or */ser), and click 'OK'. All selected spectra will open simultaneously.

The user can also use the 'Full Processing' command to automate the processing of both 1D & 2D NMR data sets. (You can find a full description of this tool further on in the Automated Processing chapter.)

The 'Multi-Open List' script will show a dialog with a multi-line text edit box, into which you can either type or paste your lists of files to open.

The 'Generic 1D CSV' script allows to create a NMR spectrum by importing a 1D .csv or .txt file:

You would need to select the number of columns and rows you want to import from the files, also the spectral range( in ppm) as well the frequency and nucleus.

The 'Generic 2D CSV' script will allow you to import a 2D-NMR dataset from a .csv or .txt file.

The script to 'import Mnova configuration' will allow you to load an .ini file created with the script 'Export Mnova configuration' which includes all the Mnova preferences and settings (including tables, toolbars, properties, etc)

The Import Peaks scripts will allow you to import the peak lists from files generated in CARA, CCPN, Sparky and TopSpin: