This page details how to export data from various mass spectrometer software to be imported into iolite.

We welcome corrections/updates to this information. If you would like to contribute to this page, please email us at support@iolite-software.com

 

 

Agilent (Mass Hunter)

There are two ways to export .csv files from the Agilent’s MassHunter.
The first (and simplest) method is to configure MassHunter to tabulate the data automatically after the batch acquisition. For this open the Online ICP-MS MassHunter.
1. Click on Tools on the top menu bar (Fig. 1).

How to import Agilent data into iolite via the Tools menu

Fig. 1: The Tools menu in Mass Hunter

2. Choose Configure MassHunter. You should see the dialogue box in Fig. 2

Fig. 2: Check options for exporting data from Mass Hunter

Fig. 2: Options for exporting data from Mass Hunter

3. Check the Tabulate Chart after Sample Acquisition option on the Data Options tab and choose CSV as Format and CPS as Data. click on the OK button.
After the batch acquisition has ended, you can browse the location where the csv file was saved (batch folder, *.b).

If for some reason you prefer not to configure MassHunter or you have already acquired the data without having selected that option, you can export the data using the Offline Data Analysis.
1. Open the Offline Data Analysis (icon can be found on Desktop)
2. Click on File on the top menu bar and select New Batch Folder (Fig. 3).

Fig. 3: Opening files for Offline Data Analysis

Fig. 3: Opening files for Offline Data Analysis

4. Choose the location and name of the new batch folder and click on Create.
5. Now you have to import the data files that you want to tabulate into the new batch folder. For this go to File—> Import Samples.
6. The Select Data File Folder window is prompted. Choose the desired Data File (*.d) to import and click Open.
7. The selected data file will be added to the Import Samples window (Fig. 4). You can add more data files to the batch folder by clicking on Browse… After you finish adding all the data files you wish to tabulate click on Select All and then OK.

Fig. 4: Import samples into Offline Data Analysis

Fig. 4: Import samples into Offline Data Analysis

8. A list of the selected data files is shown on the FullQuant tab (Fig. 5). Select the sample file to tabulate from this list.

Fig. 5: the Full Quant tab

Fig. 5: the Full Quant tab

9. On the Timechart tab click on Display Spectrum/Chromatogram
10. Right click on any point of the spectrum.

11. Select Tabulate Chart—> CPS Data to CSV (Fig. 6). It may take a few minutes to tabulate, when ready you will find the .csv file in the batch folder.

Fig. 6: Exporting data from Offline Data Analysis

Fig. 6: Exporting data from Offline Data Analysis

 

Thermo X Series II

To export iolite-compatible “.csv” files from the Thermo X Series II PlasmaLab software:
1) Switch to the “Pr-TRA Timeslice” tab within the “Numerical Results” tab within the main “Results” tab.
2) Right click in the data table.
3) Select “Export CSV File” from the popup menu.
4) Import the saved “.csv” file directly into iolite as “X Series .csv”.

To export .FIN2 files from the Element you need to have a “sequence report configuration file” that is set up appropriately. You will almost definitely need to make one of these the first time you do this, but after you’ve made it you’ll be able to keep re-using it in subsequent experiments.

 


Thermo Element

The report configuration file (“.rcf”) is made from within the Reports Display. Apparently the exact way to make a new .rcf differs depending on the software version, but for version 2.2 choose Report–>Configure Analysis Reports (you’re looking for the window in Fig. 7). Once at these windows, you’ll need to goto the “Columns” tab and add “Isotope” and “Intensity avg” (see Fig. 7). Then go to the “Chromatogram Data” tab and select the Glitter filter from the list (Fig. 8). Once this is done, save this modified .rcf with your choice of name (e.g. “Iolite”).

Fig. 7: Adding columns to the Analysis Report

Fig. 7: Adding columns to the Analysis Report

 

Fig. 8: Glitter filter selection

Fig. 8: Glitter filter selection

 

You now have an .rcf file which can be used for exporting data in the correct format for Iolite. There are just a few more things you need to keep in mind:
—You need to have the right settings selected in the Sequence Editor – refer to the screen cap from Chris Fisher in Fig. 9 (Note that he uses an .rcf file called “zircon”) and note in particular that you need to select “Chromatographic” data.
—FIN2 files will only be exported when a sequence finishes successfully. So if you stop a sequence prematurely, or want to go back and process old data, then you’ll need to reprocess the sequence. To do this open the sequence file and uncheck the “acquire” box (but leave “evaluate” checked), then run the sequence. It should reprocess quite quickly, and generate your FIN2 files in the process.
—When importing into Iolite it’s the FIN2 files that need to be imported, and you should use the import option called “Triton Neptune Element .fin2”.

Fig. 9: Sequence Editor report selection

Fig. 9: Sequence Editor report selection

 

Nu Plasma AttoM

The files are stored in “C:\NuAttoLab\Results\OldStyle” folder as XXXX_TRA_Data.csv files, with XXXX being the file number.

These files can be directly opened by Iolite.