Manual upload of raw chromatography data

To manually upload files, open the Injections page and upload your ZIP archive with raw data using either of the following methods:

  • Drag’n’drop the ZIP file directly onto the page.

  • Click the plus button to open the upload dialog, where you can either drag’n’drop the ZIP file or use Browse to select it.

Depending on the vendor, the archive should contain:

  • Raw directories (most vendors)

  • Raw files, e.g. Shimadzu .lcd, ThermoFisher .raw

  • For mzML, files can be provided in either of the following ways:

    • Placed directly in the ZIP archive (*.mzML).

    • Organized into one or more .mzml directories (e.g., 001.mzml/). Inside the directory there should be one or more files for each detector with *.mzML extension.

  • See the full list of supported formats

You can group the files in subdirectories. Some formats (like Agilent ChemStation) don’t have an easy way for Peaksel to recognize if they came from the same plate or not - grouping in subdirectories may help.

For on-premise and Private SaaS installations you can set up automatic import of raw data from the instrument folders.

By default, in on-prem installations ZIP can’t be greater than 1GB in size. This can be changed in the Global Properties.
manually upload