Importing Empower, Chromeleon and OpenLab2 formats

Mnova can support Waters Empower (3.6), ThermoScientific Chromeleon (7.3) and Agilent OpenLab2 (2.7) formats if the vendor software is installed in the same computer. (It will not work if you are only using a client version of the vendor software).

To work with these datasets, just follow the 'Tools/Import CDS tools' ribbon:

Empower

Selecting the Empower option will display several dialogues to convert your datasets. After having logged with Empower's credentials, you will have access to the 'Form Selection' dialog. From here, you can select the injections (or folders) from the desired project. Do not forget to select the output directory and click on the Export button to do the conversion and generate the .mcds files (which can be imported in Mnova as usual).

•An option "Overwrite" is available to indicate if the contents of the current output directory can be overwritten. With the option enabled, no warnings were obtained when importing for a second time the same injections in the same output directory; with the option disabled, a warning was obtained when the conflict was detected and no MCDS was generated.

•An option "only get the centroid data" is available to switch between centroid and profile data.

After having clicked on the 'Done' button, the injection will appear loaded in Mnova. In this window, you will find a checkbox to close the dialog in case of a clean output (i.e., no warnings/errors). If this option is unchecked or there is at least one warning/error in the conversion process, the dialog waits for the user action. If it is checked and there are no errors/warnings, the dialog closes automatically at the end of the conversion. At the end of the process, if the dialog is not closed automatically, it is possible to click the "Restart" button to select other injection/folder to be imported.

If you selected several injections, you will get a dialog to select which ones you want to import into Mnova:

The injections can be loaded separately (one per page), or several injections can be loaded in the current MS data by clicking on the "Add MS dataset" button from the MS Browser:

Chromeleon

With Chromeleon, the workflow will be pretty similar. After having logged, you would need to select the injections (sequences or folders), make sure that you choose an 'Output' folder for the results and click on the 'Export' button to start the conversion.

Once the conversion has finished, click on the 'Done' button to get your result in Mnova.

OpenLab2

When clicking Import/OpenLab2 a dialog appears for OpenLab Login. Once you have entered your credentials, a new box will be displayed to allow you to browse the OpenLab data to select either Injections, Sequences (groups of injections) or Folders, via Selection Mode.

This dialog allows you:

- to select either Injections/sequences/Folders, via Selection mode.

- define the output directory where all the .mcds file will be stored. The converted injections maintain the original directory structure. Only after selecting an output directory and selecting at least a folder, a sequence or an injection, the Export button is enabled.

- An option "Overwrite" is available (uncheked by default) to indicate if the contents of the current output directory can be overwritten. With the option enabled, no warnings were obtained when importing for a second time the same injections in the same output directory; with the option disabled, a warning was obtained when the conflict was detected and no MCDS was generated.

With the injections, you will be entitled to do multiple selection (no available for sequences or folders). Once you have selected the desired injections, click on the Export button to launch the MCD conversion:

During the process, a checkbox option is available to close this dialog in case of a clean output (i.e., no warnings/errors). If this option is unckeded or there is at least one warning/error in the conversion process, the dialog waits for the user action. If it is checked and there are no errors/warnings, the dialog closes automatically at the end of the conversion.

At the end of the process, if the dialog is not closed automatically, it is possible to click the "Restart" button to select other injection/folder to be imported.

NOTE: While the MCDS Empower Converter is open, Mnova can't work because it is waiting for the converter (it shows as if Mnova is not responding).

Once it has finished; click on the 'Done' button and Mnova wil be again accessible. A new dialog will be displayed to load one or several mcds files, mimiching the folder system of the original location. In case that only one injection is imported, the dialog will not show up and the injection will be loaded automatically in Mnova.

Note. if you has problems with your OpenLab converter and you are not extracting the MS data, you may need to add an additional configuration step:

In the "openlab2mcds" directory of Mnova (by default, "C:\Program Files\Mestrelab Research S.L\MestReNova"), run as administrator the batch script "configure_openlab2mcds.bat" in order to correctly configure the converter with the Agilent dependencies. If OpenLab2 is installed at the default path ("C:\Program Files (x86)\Agilent Technologies"), a double click should be enough. If not, the script must be run in a CMD and the Agilent installation path must be passed as a command line argument.