How to fix the “Calibration file not specified” error message in Xcalibur 4.x

Synopsis:  Xcalibur 4.1 and later has quantitative batch processing options selected by default.  Due to a bug in Xcalibur 4.1 and later, when a user tries to perform qualitative processing of data with ProMass from the sample list, Xcalibur requests a quantitative calibration file that does not exist (see error message above).   Unfortunately, the user cannot access the batch reprocess dialog to unselect quantitative processing options.  In ProMass for Xcalibur 4.0, a utility is available from the ProMass Tools menu (Reset Xcalibur Batch Processing Parameters) that will allow you to reset the defaults for batch processing.

For users of ProMass for Xcalibur 3.0, Novatia has created a utility program (reset_batch_process.exe) that resets the batch processing options to the qualitative settings required by ProMass for automated processing. Click this text to download a folder containing instructions in a Word document as well as an executable file to resolve the issue.

How to manually reset the batch reprocessing mode to Qual

Unfortunately, in some cases, the reset batch reprocess utility program will not be able to reset batch reprocessing options if the user security settings do not allow access to the windows registry. In this case, you can manually reset the batch reprocess options by following the steps below:

1. Open the sample list: C:\Xcalibur\examples\methods\drugx.sld
2. Select the first row of the sample list
3. Click the Batch Reprocess button
4. In the dialog box, uncheck all the Quan options
5. Make sure only the following are checked, then click OK
   • Qual
   • Peak Detection and Integration
   • Spectrum Enhancement
   • Programs
   • Replace Sample Info
6. Once you’ve done this, you should be able to restore a sample list and batch reprocess Qual data.  However, if you have multiple logins, you will have to repeat this process for every windows user login.