Automate your workflows with scripting

Wouldn't you love to?

  • Open your data sets, apply processsing and layout templates and export to PDF with just one click
  • Customize the format of  your Multiplet or Pick List Reports

When we said we wanted Mnova to be integrated with your workflows we really meant it. These are only a few of the processes you can automate with Mnova's Scripting ability. 

In this page you will find a scripts repository with the ones we have developed in-house and the ones we have received form our customers.

If you want to learn to prepare your own scripts you can download the Mnova Manual

Automate your Workflows with Mnova Scripting

Have you developed a script you want to share with Mnova users?

Send it to This e-mail address is being protected from spambots. You need JavaScript enabled to view it we'll review it and post it right here

Scripts (right click to download them)

Customizing Reports

  • zAscendingJACSMultipletReporter: To get your multiplet report in ascending order with JACS style
    Author: Mestrelab Research. Download
  • zAscendingMultipletReporterWithNames: To get your multiplet report in ascending order with the multiplet name
    Author: Mestrelab Research. Download
  • zAscendingPeakReporter: To get your peak list in ascending order
    Author: Mestrelab Research. Download
  • RefreshJACS: Deletes an existing multiplet text object and recreates a new JACS text object in the proper page location.  Uses presence of ‘ NMR ‘ string to determine if text is a multiplet report, which may not be ideal.
    Author: David Shivak (Metabolex, Inc.) Download

Formatting Templates

  • layout_spectrum: Auto Process and Layout a Spectrum for registration in Compound database.
    Author: Karsten Linneberg (LEO-Pharma). Download
  • APF: This script will apply a "Process Template" and a "Layout" to your spectra. The script will show some selected parameters, a logo, the title and will change the zoom region of your spectra. The script will relocate the molecule structure to the desired position if it is present.
    Author: Mestrelab Research. Download
  • APF2: This script will apply a "Process Template" and will show the 'Title' and the second folder  before the FID file as a 'File Name' with no path.
    Author: Mestrelab Research. Download
  • APF3: This script will apply a "Process Template" and an automatic multiplet analysis.
    Author: Mestrelab Research. Download
  • SpectrumParams: This script will paste the desired parameters to your spectrum.
    Author: Mestrelab Research. Download
  • TitleAndSolvent: This script will paste the title and the solvent in your spectrum.
    Author: Mestrelab Research. Download
  • Title: This script will insert the title in your spectrum.
    Author: Mestrelab Research. Download
  • BF1: Auto Formating for Spectra. Load a logo and display the parameters at the right side of the window with several styles (Bruker, Varian, JEOL, JCAMP)
    Author: Mestrelab Research. Download
  • BF2: Similar with BF1 but with the parameters at the bottom of the window.
    Author: Mestrelab Research. Download
  • ReportParametersAndPDF: report the spectral parameters and generate a PDF file
    Author: Mestrelab Research. Download
  • easyFormatting: Easy Auto Formating for 1D/2D Spectra with logo, molecule structure and parameters
    Author: Mestrelab Research. Download

Processing Scripts

  • process_all_opened_spectra_wet: It applies a specific processing dependently on the spectrum nucleus and dimensionality values.
    Author: Tineke Papavoine(AstraZeneca). Download
  • MBXProcess: (Auto Formatting for 1D Varian Spectra) It applies a specific processing and layout template on the spectrum. It also adds automatic multiplet call to existing formatting code.
    Author: David Shivak (Metabolex, Inc.). Download
  • import_process_saveOneAscii_loop: This script will be very useful for metabonomics. It will open, process and analyze (using a processing template), export to one ASCII file and close the spectrum in order to open the next one and continue with the processing (to avoid an excessive use of memory).
    Author: Mestrelab Research. Download
  • AP: This script is created for auto processing and saving multiple 1D NMR spectra into a desginated folder.
    Author: Mestrelab Research. Download
  • import_process_save_loop: This example function demonstrates how to apply some processing to a set of spectral files and to save the result in the different file formats.
    Author: Mestrelab Research. Download
  • procTemplate: This script will apply a "Full Processing" template to your spectra.
    Author: Mestrelab Research. Download
  • toPositive: This script can be used to get all the peaks positive in a 1D spectrum.
    Author: Mestrelab Research. Download
  • DoAction: This powerful script will apply any available feature.
    Author: Mestrelab Research. Download

Miscelanea

  • threshold2D: This script will allow the user to adjust the threshold of the color scheme in 2D-NMR spectra.
    Author: Mestrelab Research. Download
  • ReferenceTest: This script can be used to automatically reference a signal with a tolerance value of 0.1 ppm, adding an annotation to the peak.
    Author: Mestrelab Research. Download
  • playFID: This script plays the data file as an audio signal via the system's sound card and speakers.
    Author: Mestrelab Research. Download