Reprocess the data (Data Analysis)
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Reprocess the data

This procedure explains how to reprocess data with an already linked processing method. If there is no method or a wrong method linked to the data file, link the required method. The data is then reprocessed automatically. See Link injections to a processing method.

Prerequisites

To be able to carry out the procedure as described, you need the privilege Data Processing > Reprocess data. Privileges are configured in the Control Panel.

  1. Click on the data file to select it. You can select multiple data files by holding the [Ctrl] or [Shift] key while clicking.

    2. The selected data files are highlighted in blue.

  2. If required, edit the method.

    3. As long as you do not save the changed method, it is marked with a pencil symbol .

  3. In the ribbon, select the Processing tab.

  4. In the ribbon, select one of the following:

    • Reprocess Selected to reprocess only the selected injections (for example, if you want to check changed integration parameters)

    • Reprocess All to reprocess all injections of all loaded result sets (for example, to build new calibration curves)

    To discard compound assignments and manual integration corrections for individual injections, open the submenu of the Reprocess button, then select Reprocess Selected - Clear corrections or Reprocess All - Clear corrections.

    Manual integration corrections that are saved in the processing method will persist. See Apply manual integration corrections to other injections.

    If you reprocess signed data, the signature will not be carried forward. A dialog asks for confirmation before reprocessing starts.

    5. Different data files can have different methods assigned. Each of the selected data files is reprocessed using the method linked to it.

    New results are automatically calculated and can be reviewed directly in Data Analysis.

    The following symbols may be shown for the reprocessed data files:

    • The data file has successfully been reprocessed.

    • * Manual integration or manual compound identification has been added to the data.

    • Warnings occurred during reprocessing. Move the mouse over the symbol to get more details.

    • The data file could not be reprocessed. There is no method linked to the data file, or an incorrect method is used. Move the mouse over the symbol to get more details.

    • Errors occurred during reprocessing.

    See Get details on processing errors.

  5. If you reprocess large amounts of data, the system shows a status indicator and a Stop button in front of a shaded workspace. If you want to stop reprocessing, click Stop.

    6. When you stop reprocessing, the currently processed injection will be finalized. The subsequent injections are not reprocessed and will be labeled with a warning in the injection tree. No reports are created, as reporting starts only after all injections have been reprocessed.

  6. Check if the results are correct, then save the method and the results. To discard the modifications, simply close the data and the method without saving them.

    7. If you discard modifications: Note that An entry is added to the System Activity Log, saying that the data file has been previewed and closed without saving changes. The details section of the entry contains the categories (such as identification, calibration, or method linking) where the changes have been made. It also shows the number of changes done in each category. For method linking, it shows the number of injections which have been linked. The details may include changes to the injection results or changes to the processing method. However, The list includes only actions that affected the results. Method changes are only recorded if the method audit trail is activated.

PVCS#B-02461, B-09822
PVCS#B-02338, B-11747

See Also